Isotherm constants for BB 9 and BY28 in single and binary systems.
\\n\\n
Released this past November, the list is based on data collected from the Web of Science and highlights some of the world’s most influential scientific minds by naming the researchers whose publications over the previous decade have included a high number of Highly Cited Papers placing them among the top 1% most-cited.
\\n\\nWe wish to congratulate all of the researchers named and especially our authors on this amazing accomplishment! We are happy and proud to share in their success!
Note: Edited in March 2021
\\n"}]',published:!0,mainMedia:{caption:"Highly Cited",originalUrl:"/media/original/117"}},components:[{type:"htmlEditorComponent",content:'IntechOpen is proud to announce that 191 of our authors have made the Clarivate™ Highly Cited Researchers List for 2020, ranking them among the top 1% most-cited.
\n\nThroughout the years, the list has named a total of 261 IntechOpen authors as Highly Cited. Of those researchers, 69 have been featured on the list multiple times.
\n\n\n\nReleased this past November, the list is based on data collected from the Web of Science and highlights some of the world’s most influential scientific minds by naming the researchers whose publications over the previous decade have included a high number of Highly Cited Papers placing them among the top 1% most-cited.
\n\nWe wish to congratulate all of the researchers named and especially our authors on this amazing accomplishment! We are happy and proud to share in their success!
Note: Edited in March 2021
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Advances in telomere researches have linked telomere dysfunction with cellular aging and a number of age-related human diseases. Recent studies further expanded our knowledge of telomere functions - telomeres are shown to be important for microbial pathogen virulence and telomere proteins have important non-telomeric cellular functions. 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In 2002, Dr. Li started to study the telomere structure and functions in a protozoan parasite, Trypanosoma brucei, which causes human African trypanosomiasis. Dr. Li joined Cleveland State University in 2006 and became a tenured associate professor in 2011. Her work has led to the identification of T. brucei telomere proteins TRF and RAP1. She has shown that T. brucei RAP1 plays an essential role in silencing virulence genes located adjacent to telomeres, demonstrating for the first time that the telomere complex plays an important role in T. brucei pathogenesis and virulence regulation (Yang et al. 2009. 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Her expertise on the Transboundary animal diseases (TADs) is well recognized and she has worked with FAO control programs of TADs in the country. She has been involved in conduct of various trainings for field as well as laboratory staff. She has published research papers, review articles and book chapters on different areas of veterinary disease diagnosis and control. 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He has worked in academics as well as in the field of implementing disease control programs. He has worked with local and international projects to establish diagnostic laboratories for TADs. He has also conducted various training for field as well as laboratory staff. Dr. Abubakar has published numerous research papers, review articles, and book chapters on different subjects in the veterinary sciences, especially TADs like avian influenza, foot-and-mouth disease, and peste des petits ruminants. He is the co-editor of The Role of Biotechnology in Improvement of Livestock. He is currently an editor in chief for the Research Journal for Veterinary Practitioners and Veterinary Sciences: Research and Reviews.",institutionString:"National Veterinary Laboratory",position:null,outsideEditionCount:0,totalCites:0,totalAuthoredChapters:"6",totalChapterViews:"0",totalEditedBooks:"6",institution:null},coeditorTwo:null,coeditorThree:null,coeditorFour:null,coeditorFive:null,topics:[{id:"5",title:"Agricultural and Biological Sciences",slug:"agricultural-and-biological-sciences"}],chapters:null,productType:{id:"1",title:"Edited Volume",chapterContentType:"chapter",authoredCaption:"Edited by"},personalPublishingAssistant:{id:"444312",firstName:"Sara",lastName:"Tikel",middleName:null,title:"Ms.",imageUrl:"https://mts.intechopen.com/storage/users/444312/images/20015_n.jpg",email:"sara.t@intechopen.com",biography:"As an Author Service Manager, my responsibilities include monitoring and facilitating all publishing activities for authors and editors. 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Venkateswarlu",coverURL:"https://cdn.intechopen.com/books/images_new/371.jpg",editedByType:"Edited by",editors:[{id:"58592",title:"Dr.",name:"Arun",surname:"Shanker",slug:"arun-shanker",fullName:"Arun Shanker"}],productType:{id:"1",chapterContentType:"chapter",authoredCaption:"Edited by"}},{type:"book",id:"72",title:"Ionic Liquids",subtitle:"Theory, Properties, New Approaches",isOpenForSubmission:!1,hash:"d94ffa3cfa10505e3b1d676d46fcd3f5",slug:"ionic-liquids-theory-properties-new-approaches",bookSignature:"Alexander Kokorin",coverURL:"https://cdn.intechopen.com/books/images_new/72.jpg",editedByType:"Edited by",editors:[{id:"19816",title:"Prof.",name:"Alexander",surname:"Kokorin",slug:"alexander-kokorin",fullName:"Alexander Kokorin"}],productType:{id:"1",chapterContentType:"chapter",authoredCaption:"Edited by"}},{type:"book",id:"314",title:"Regenerative Medicine and Tissue Engineering",subtitle:"Cells and Biomaterials",isOpenForSubmission:!1,hash:"bb67e80e480c86bb8315458012d65686",slug:"regenerative-medicine-and-tissue-engineering-cells-and-biomaterials",bookSignature:"Daniel Eberli",coverURL:"https://cdn.intechopen.com/books/images_new/314.jpg",editedByType:"Edited by",editors:[{id:"6495",title:"Dr.",name:"Daniel",surname:"Eberli",slug:"daniel-eberli",fullName:"Daniel Eberli"}],productType:{id:"1",chapterContentType:"chapter",authoredCaption:"Edited by"}},{type:"book",id:"57",title:"Physics and Applications of Graphene",subtitle:"Experiments",isOpenForSubmission:!1,hash:"0e6622a71cf4f02f45bfdd5691e1189a",slug:"physics-and-applications-of-graphene-experiments",bookSignature:"Sergey Mikhailov",coverURL:"https://cdn.intechopen.com/books/images_new/57.jpg",editedByType:"Edited by",editors:[{id:"16042",title:"Dr.",name:"Sergey",surname:"Mikhailov",slug:"sergey-mikhailov",fullName:"Sergey Mikhailov"}],productType:{id:"1",chapterContentType:"chapter",authoredCaption:"Edited by"}},{type:"book",id:"1373",title:"Ionic Liquids",subtitle:"Applications and Perspectives",isOpenForSubmission:!1,hash:"5e9ae5ae9167cde4b344e499a792c41c",slug:"ionic-liquids-applications-and-perspectives",bookSignature:"Alexander Kokorin",coverURL:"https://cdn.intechopen.com/books/images_new/1373.jpg",editedByType:"Edited by",editors:[{id:"19816",title:"Prof.",name:"Alexander",surname:"Kokorin",slug:"alexander-kokorin",fullName:"Alexander Kokorin"}],productType:{id:"1",chapterContentType:"chapter",authoredCaption:"Edited by"}}]},chapter:{item:{type:"chapter",id:"81626",title:"Use of Natural Safiot Clay for the Removal of Chemical Substances From Aqueous Solutions by Adsorption: A Combined Experimental and Theoretical Study",doi:"10.5772/intechopen.101605",slug:"use-of-natural-safiot-clay-for-the-removal-of-chemical-substances-from-aqueous-solutions-by-adsorpti",body:'The growth of humanity and the development of science and technology are causing an environmental disorder due to the pollution of water by a number of pollutants including synthetic dyes, which have a complex molecular structure, which makes them more stable and difficult. These dyes are discharged with the liquid effluents, which are most of the time directly discharged into watercourses without prior treatment [1]. These colored discharges pose a great threat to human health and the environment because many of the dyes are toxic. Therefore, it is very important to develop efficient methods for the removal of dyes from aqueous media.
Traditional processes such as biological processes give unsatisfactory results due to the composition of these releases of toxic and dyestuffs, which are difficult to biodegrade; on the other hand, physicochemical processes, which include coagulation-flocculation, oxidation, and membrane filtration, have been widely studied and have revealed a high efficiency in water discoloration [2, 3]. These techniques have proven to be very effective, but their high cost has prompted many researchers to try other cheaper and abundant materials. Adsorption, as a flexible, simple, and inexpensive approach, can be used for the removal of pollutant chemical species. Every day researchers describe new ways and elaborate a new adsorbent on the basis of good selectivity for a chemical species or for the low cost of the process. The elimination of dyes in aqueous solutions by adsorption on different solid materials, in particular on activated carbon, has been the subject of much work [4, 5, 6]. The adsorption of dyes on activated carbon has been found to be very effective, but its use remains limited due to the difficulties of its regeneration and its high cost [7].
For this reason, the use of clay as an adsorbent is of great interest because of its effectiveness, its accessible cost, and its abundance. From this perspective, lot of research has been done on clays and all have shown their depollution efficiency toward dyes [8, 9]. The importance given to these materials is granted to their abundant availability in nature and their great capacity of retention of various pollutants, which is offered by their structure in sheets, which gives a large specific surface toward the adsorption [10, 11].
In this context, our choice focused on clay, which is an adsorbent material found in abundance in Morocco, is effective and more economical. The use of clays for the depollution of waters contaminated by dyes requires a good knowledge of their mineralogical characteristics and of the mechanism of adsorption of these pollutants. On the other hand, Natural Safiot Clay (NSC) materials could be an attractive alternative for the adsorption of various pollutants from wastewater due to their low cost, their lamellar structure, which provides high specific surface areas, thermal stability, high cation exchange capacity, abundance, and high adsorption capacity [12, 13, 14].
Generally, most of the studies carried out to eliminate cationic dyes are carried out on single dyes [15], which lead us to study the possibility of eliminating a mixture of two dyes at the same time, close to the real conditions of effluents in the environment, because industrial discharges are a complex mixture of several pollutants.
Recently and with computer development, quantum chemistry calculations are widely used in studies of dye adsorption [16, 17]. A lot of research has been carried out on this theoretical approach; in particular since the appearance of their efficiencies in the study of adsorption mechanisms on the one hand, and the study of behavior of dyes with respect to the adsorbent surface on the other hand [18, 19]. The theoretical reactivity indices based on density functional theory (DFT) have become a powerful and informative tool for studying organic reactivity and for describing intermolecular interactions [20, 21].
The purpose of this study was to demonstrate the ability of Natural Safiot Clay to remove some mixture industrial dyes such as Basic blue 9 and Basic yellow 28 from single and binary aqueous solutions. This allows optimizing the cost of the process and the quantity of the adsorbent used in the adsorption process to have a multiple removal efficiencies of different pollutants instead of one [22, 23]. In this study, the possibility of adsorption of Basic blue 9 (BB9) and Basic yellow 28 (BY28) in the single and binary system has been studied experimentally and theoretically using density functional theory (DFT) and molecular dynamics simulations (MDS), In order to explain the competitiveness between the two dyes on active sites and their reactivity, check if the experimental results are in good correlation with the theoretical results.
The Natural Safiot Clay (NSC) used in this work is collected from a natural basin in the region of Safi in Morocco for removal of Basic blue 9 and Basic yellow 28 from aqueous solutions and used without any prior activation. Samples were ground and sieved to obtain very fine particle sizes and washed with distilled water to ensure the removal of dust and any soluble impurities may exist.
Basic blue 9 (BB9) and Basic yellow 28 (BY28) as representative cationic dyes were purchased from Sigma-Aldrich with a purity of 99% and used without further purification. The chemical structures of the studied dyes are given in Figure 1.
Chemical structures of BB9 and BY28.
For single and binary system, several stock solutions 100 mg/L of BB9 and BY28 dyes have been prepared by mixing calculated volumes of the stock solutions of each dye and accurately diluting it with distilled water. The NSC and mixture of dyes are shaken in batch experiments at various parameters such as the amount of natural safiot clay (5 mg–35 mg), initial dye concentration (10 mg–40 mg/L), and initial solution pH (2–12). The working solutions’ pH was adjusted to the desired values with dilute HCl (0.1 M) or NaOH (0.1 M) using a pH-Meter HANNA 5222. After stirring of a prescribed contact time, the solution is filtrated using filter syringe, and the maximum absorbance value of BB9 and BY28 is measured using spectrophotometer UV–Visible (JENWAY 6300) at 663 and 438 nm, respectively, as shown in Figure 2.
Absorption spectra of BB9, BY28, and their mixture.
The percentage removal and the quantity adsorbed qe (mg/g) of dye on NSC were calculated using the following equation:
Where C0 (mg/L) and Ce (mg/L) represent the concentration of BB9 and BY28 at initial and equilibrium, respectively, V (L) is the volume of solution, and W (g) is the weight of adsorbent used.
The surface morphology, chemical composition, and the nature of functional groups responsible for adsorption of dyes onto the NSC adsorbent were studied by Scanning Electron Microscopy (SEM), Energy Dispersive X-ray spectroscopy (EDX), X-Ray Diffraction (XRD), and Fourier Transform Infrared (FT-IR).
Density functional theory (DFT) is one of the most important tools of quantum chemistry of understanding popular qualitative chemical concepts such as energy of highest occupied molecular orbital (EHOMO) and the lowest unoccupied molecular orbital (ELUMO), dipole potential (μ), hardness (η), softness (S), electrophilicity index (ω), and local reactivity descriptors such as Parr function P(r) [24, 25]. All computations are carried out with the Gaussian 09 program. The geometries of dyes, BB9 and BY28, are optimized using density functional theory (DFT) at the B3LYP/6 G-31G (d) level. Optimizations are carried out using the Berny analytical gradient optimization method. The geometries optimized are characterized by positive vibrational frequency definite Hessian matrices [26].
When the values of EHOMO and ELUMO are known, one can determine through the following expressions [27] the values of the electronic chemical potential μ, the absolute hardness η, and the softness S as:
The global softness (S) introduced is the inverse of the global hardness [28]:
Using Parr’s definition [29], the electrophilicity ω index is given by:
Based on this idea, Domingo et al. [30] have introduced an empirical (relative) nucleophilicity index N, based on the HOMO energies obtained within the Kohn–Sham scheme and defined as:
The HOMO energy of Tetracyanoethylene is −0.3351 a.u. at the same level of theory.
The electrophilic
The adsorption progress of the studied dyes on kaolinite surface is performed using Materials Studio (MS) 8.0 software developed by Accelrys Inc. The kaolinite crystal was optimized (a = 5.196 Å, b = 9.007 Å, c = 7.372 Å, and α = 93.029°, β = 105.983°, γ = 89.866) and cleaved along the (001) plane, a vacuum slab with 10 Å thickness was built. The final structure was enlarged to (4 × 2 × 1) to provide a large surface for the interaction of the dyes [31].
The spectrum of chemical constitution of natural safiot clay adsorbent is given in Figure 3. The EDX spectrum of Figure 2 presents well-defined peaks, confirms the presence of the following chemical elements: Si, Al, Mg, Fe, K, P, S, O, Ca, C. These results confirm those found by the analysis XRF (Table 1), which also reveals the presence of these elements in the form of oxides: SiO2, Al2O3, Fe2O3, MgO, Na2O, CaO, K2O, TiO2. The atomic and mass percentages of the elements are summarized in Table 2. The predominance of silicon and oxygen peaks is clearly observed, which confirms the majority presence of kaolinite and quartz in the sample studied.
EDX spectrum of natural safiot clay.
Dyes | Langmuir | Freundlich | Dubinin–Radushkevich | |||||||
---|---|---|---|---|---|---|---|---|---|---|
qmax | RL | R2 | KF | 1/n | R2 | qmax | KD-R | E | R2 | |
BB9 (S) | 68.49 | 0.038 | 0.992 | 37.89 | 0.314 | 0.852 | 59.03 | 1 10−7 | 2236 | 0.925 |
BB9 (B) | 41.15 | 0.015 | 0.996 | 25.71 | 0.222 | 0.566 | 44.78 | 1 10−7 | 2236 | 0.897 |
BY28 (S) | 166.67 | 0.363 | 0.761 | 10.50 | 0.976 | 0.955 | 75.33 | 2 10−6 | 500 | 0.994 |
BY28 (B) | 21.32 | 0.064 | 0.986 | 10.07 | 0.260 | 0.718 | 18.18 | 6 10−7 | 912.8 | 0.512 |
Isotherm constants for BB 9 and BY28 in single and binary systems.
Fourier transform infrared (FTIR) analysis was applied to determine the functional groups present on the surface of natural safiot clay and understand its adsorption mechanism. FT-IR spectra of NS clay in the range of 400 cm–4000 cm−1 are taken to obtain information on the nature of functional groups at the surface of the adsorbent. The spectrum of natural safiot clay is shown in Figure 4. The band that stretches between 3200 and 3700 cm−1 shows a peak with two shoulders at 3407 cm−1 and 3610 cm−1 corresponding to the vibrations of elongation of the hydroxyl group –OH linked to the water of constitution. In addition to the vibrations of deformation of the O-H bond due to the water molecules adsorbed between the sheets located at 1639 cm−1. The bands that appear approximately around 3430 cm−1 and 1630 cm−1 correspond respectively to the vibrations of elongation and deformation of the OH group of the adsorbed water [32]. While the characteristic bands of carbonates are detected at 1436 cm−1 and 2521 cm−1 [33].
FT-IR spectrum of natural safiot clay.
An intense absorption band at 900 cm–1200 cm−1 is centered on 1030 cm−1, it characterizes the valence vibrations of the Si-O bond [34]. The bands between 795 and 748 cm−1, coming from the Si-O-Al bond, also give way to a band around 778.4 cm−1 [35]. The absorption band located at 1030 cm−1 is in agreement with the X-ray fluorescence indicating the presence of kaolinite in natural clay. However, the absorption bands at 423, 480, 534, 694, and 797 cm−1 correspond to quartz [36]. These results are in agreement with those found from XRF. They confirm the presence of quartz, carbonate, kaolinite, and dolomite in the clay studied.
Scanning electronic microscopy (SEM) technique was carried out in order to observe the morphology, structure, and distribution of the grains of our adsorbent material studied. Figure 5a and b show the SEM micrographs of natural safiot clay before and after adsorption. The scanning electron microscope image (Figure 5a) shows aggregates of kaolin grains in spherical form and of heterogeneous size, the interstices between the grains form pores. We also observe large irregularly shaped cavities; this confirms the heterogeneous composition of our clay revealed by the XRD (kaolinite + calcite + vermiculite). In contrast, Figure 5b shows that the NSC surface is more homogeneous and saturated after adsorption.
SEM micrograph of the natural Safi clay before (a) and after (b) adsorption.
X-ray diffraction analysis allows us to identify the different mineralogical phases contained in our material. The X-ray diffraction patterns of NSC adsorbent are illustrated in Figure 6. This result demonstrated the principal presence of kaolinite characterized by an intense peak at 2θ = 26.63° (2θ = 26.63°; d = 3.343 A°) and a series of peaks with varying intensities at 12.33°, 19.75°, 40.85° and those of quartz at 20.87°, 37.92°, and 42. 440°. In addition, the reflections spectrum at 2θ = 8.62°, 29.47°, and 30.81° confirm the presence of illite, calcite, and dolomite, respectively. We see that the diagram also shows the presence of the peak corresponding to the following minerals: kaolinite, calcite, and vermiculite, which implies that our clay is heterogeneous.
X-ray diffraction of natural safiot clay.
The pH zero-point charge (pHzpc) plays an important role in the adsorption process. The point of zero charge (PZC) of our clay was determined using the pH drift method [37]. Six vials containing solutions of pH in the range of 2–12 (pHi) and 50 mg of NSC are shaken for 24 h at room temperature, and the final pH was measured. The difference between the initial and final pH (ΔpH = pHi − pHf) was plotted against the initial pH (pHi) and the point where ΔpH = 0 was taken as the point of zero charge. As shown in Figure 7, the pHpzc of NSC was determined to be 7.2.
pHzpc values for natural safiot clay.
It is recognized that the effect of the adsorbent dose on the adsorption process is also considered to be one of the most important parameters that must be optimized, since the mass of adsorbent has an effect on the adsorption capacity for a given initial concentration of the adsorbate under the operating conditions. The adsorption of BB9 and BY28 in single and mixture on natural safiot clay is studied by varying the mass of adsorbent from 5 to 35 mg in 50 mL solution of 20 mg/L dye concentration at a constant stirring rate of 60 minutes. From Figure 8, it can be observed that removal efficiency of the dye increases from 49.17% to 97.03% for BB9 and from 59.97% to 85.32% for BY28 as adsorbent dose is an increase from 5 to 35 mg. This is because of the extra number of adsorption sites accessible with an increase in the adsorbent dose. On the other hand, the dye uptake capacity reduces from 98.34 to 27.72 mg/g and from 119.9 to 24.38 mg/g for BB9 and BY28, respectively. This can be attributed to the unsaturation of adsorption sites through the adsorption reaction with increasing adsorbent dosage [38, 39]. Another important reason is that at high adsorbent dosage, the available dye molecules are deficient to completely cover the available binding sites on the natural safiot clay, which results in low solute uptake [40, 41]. Similar results have been reported previously by other researchers for the adsorption of dyes by different material [42, 43, 44]. The optimum adsorbent dose is fixed conveniently at 30 mg per 50 mL of solution dye for the following studies.
Effect of adsorbent amount on the removal efficiency and adsorption capacity of basic blue 9 and basic yellow 28.
The effect of initial concentrations of BB9 and BY28 dyes is examined at different initial concentrations ranging from 10 to 40 mg/L on the adsorption capacity and removal efficiency onto natural safiot clay. As seen from Figure 9, the adsorption capacity increases from 22.58 to 58.45 mg/g for BB9 and of 12.68 to 58.89 mg/g for BY28. In this case, the % removal decreases from 98.97% to 87.67% and from 87.67% to 70.08% for BB9 and BY28, respectively. These results indicate that the adsorption sites of NSC adsorbent for dyes adsorption are still unsaturated within the dye concentration range. In addition, increasing initial dyes’ concentrations increases the number of collisions between dyes ions and the surface area of NSC adsorbent, which enhances the adsorption process [45]. Similar results had been reported by Auta and Hameed [46] for MB dye removal onto modified ball clay chitosan composite.
Effect of the initial dye concentration on the adsorption capacity and removal efficiency of BB9 and BY28, in single (S) and binary (B) system onto NSC.
The initial pH of the aqueous solution is important parameter controlling the adsorption process, where it affects both the degree of ionization of the dye and the surface properties of the adsorbent. The effect of initial pH of dye solution on the percentage removal of dye is studied by varying the initial pH from 2 to 12 under constant process parameters onto NSC, and results are presented in Figure 10. It is revealed that pH has practically a small effect on the percentage removal of the two basic dyes in simple system. In binary system, BY28 percentage removal is increased from 34.74% to 71.14% when pH is varied from 2 to 12 and also for BB9 percentage removal increase from 90.86% to 96.75%. These results are explained by pH zero-point charge pHZPC, the pHzpc of any adsorbent is a very important characteristic that determines the pH at which the surface has net electrical neutrality. In explaining this behavior by the fact that the negative charge dominates the adsorbent’s surface in the basic medium. Thus, an electrostatic attraction exists between the negative charges of OH deposited on the clay surface and the positive charges of the dyes. Moreover, an electrostatic attraction between BB9 and BY28 dyes and the positive charge on the surface of NSC at low pH are evident [47, 48].
Effect of initial dye pH on the removal efficiency (%) of BB9 and BY28 dyes in single and binary solutions.
Consequently, the mechanism proposed can be described by the following equation.
Similarly, the montmorillonite, bentonite clay, and montmorillonite/CoFe2O4 composite adsorption capacities were studied as a function of pH, and it was observed that maximum basic blue 9 dye adsorption was in acidic pH range [49, 50, 51].
BB9 and BY28 adsorption in single and binary adsorption systems onto NSC is studied and is illustrated in Figure 11. The removal efficiency decreased in binary systems (as compared with single dye systems), the reduction was from 96.20% to 95.57% and from 85.32% to 61.48% for BB9 and BY28, respectively. For these results it is clear in the binary system, BB9 dye is most dominant and BY28 is most recessive dye. The values of R% also show that adsorption of BB9 and BY28 is reduced by the presence of other dyes in solutions within reduction percentage of 0.66% and 27.94% for BB9 and BY28, respectively. This behavior can be explained by the competitive adsorption between BB9 and BY28 for active sites with that BB9 dye is the first to be adsorbed in the active sites and by that BB9 is more electrophilic than BY28. This result will be demonstrated by following quantum chemicals study.
Adsorption competition of BB9 and BY28 onto NSC adsorbent sites.
Adsorption isotherms play an important role in the determination of the maximum adsorption capacity and the identification of the type of adsorption. The results of the adsorption experiments were analyzed per the well-known models of Langmuir, Freundlich, and Dubinin–Radushkevich (D-R):
The Langmuir isotherm is valid for monolayer adsorption on surface containing a finite number of identical sites [52]. The linear form of the Langmuir isotherm can be represented by the following equation:
Where Ce (mg/L) represents the equilibrium concentration of the adsorbate, qe the amount adsorbed at equilibrium (mg/g), KL (L/mg) and qm (mg/g) are the Langmuir constant and the maximum amount of adsorbate, respectively.
To confirm the favorability of the adsorption process, the separation factor RL was calculated by the following Equation [53]:
where the adsorption process is unfavorable (RL > 1), linear (RL = 1), favorable (0 < RL < 1), or irreversible (RL = 0). Here, RL values for the adsorption of dyes are less than 1 and greater than 0, indicating favorable adsorption.
Freundlich isotherm model is an empirical equation based on sorption on a heterogeneous surface or surface supporting sites of varied affinities [54]. The linearized Freundlich model is represented by the following equation:
where Kf (mg/g) is the measurement of adsorption capacity, and 1/n is the adsorption intensity of the adsorbent.
The Dubinin–Radushkevich model is a more generalized model as compared with the Langmuir isotherm and often used to estimate the characteristic porosity and the apparent free energy of adsorption [55]. The linearized Dubinin–Radushkevich (D-R) isotherm model is represented by the following equation:
where qm is the theoretical saturation capacity (mg/g), B is the D-R constant related to the sorption energy (mol2/kJ2), and ε represents the Polanyi potential (J/mol), which is determined by:
R is the universal gas constant (8.314 J mol−1 K−1), and T is the absolute temperature (K). The mean free energy of adsorption E calculated from B using the following relation:
The main parameters, characterizing each model as well as the coefficients of determination (R2), are grouped in Table 1. Comparison with Freundlich and Dubinin–Radushkevich model shows the high correlation coefficient of Langmuir isotherm for both dyes in single and mixture systems. This result suggests that the dye was homogeneously adsorbed on a monolayer surface of the adsorbent.
Eléments | % atomique | % massique |
---|---|---|
O | 57.87 | 46.70 |
C | 12.96 | 7.85 |
Na | 0.59 | 0.68 |
Mg | 1.25 | 1.53 |
Al | 7.50 | 10.20 |
Si | 13.78 | 19.52 |
K | 2.18 | 4.30 |
Ca | 1.70 | 3.43 |
Ti | 0.19 | 0.47 |
Fe | 1.72 | 4.85 |
Atomic and mass percentage of the natural safiot clay constituents.
The value of parameter 1/n of the Freundlich equation gives an indication of the validity of the adsorption of the adsorbent adsorbate system. The values of 1/n presented in Table 1 are between 0 and 1 indicating that the adsorption of the two dyes on our prepared adsorbent material (NSC) is favorable.
The magnitude of E is useful for estimating the type of adsorption process. The found values of E for BB9 and BY28 in the single and binary system are less than 8 kJ mol−1, knowing that energy values less than 8 kJ mol−1 indicate physisorption and energy values varying from 8 to 16 kJ mol−1 indicate chimisorption. Therefore, the adsorption type of BB9 and BY28 onto NSC has been defined as physical adsorption (physisorption). This confirms the results following the study of the influence of pH.
The kinetic of adsorption is an important characteristic in evaluating the efficiency of adsorption process. Three kinetics models (pseudo-first order, pseudo-second order, and intraparticle diffusion) were utilized to test the experimental data and predict the controlling mechanism of dye adsorption process.
The linearized form of pseudo-first-order rate expression is given as:
Where qe and qt are the amount of dye adsorbed on sorbent (mg/g) at equilibrium and time t, respectively, k1corresponds to the reaction rate constant of pseudo-first-order (min−1), and t is time (min) [56]. The values of qe and k1 were calculated from the slope and intercept of the plots of the log (qe-qt) vs. t.
Pseudo-second-order rate expression reaction model is expressed as (linearized form) [57]:
Where k2 is the pseudo-second-order rate constant (g/mg.min). A plot of t/qt and t should give a linear relationship if the biosorption follows pseudo-second-order model. The qe and k2 can be calculated from the slope and intercept of the plot.
The intraparticle diffusion model is based on the theory proposed by Weber and Morris [58]. The Weber and Morris equation is (18):
Where qt is the adsorption capacity (mg/g) at time t (min), kid is the intraparticle diffusion rate constant (mg/g.min), and C (mg/g) is a constant, which provides the information regarding the thickness of the boundary layer. The values of Kid and C were calculated from the slope and intercept of the plots of the qt against t1/2.
The conformity between the experimental data and the predicted model is based on the values of the correlation coefficients (R2), hence the value R2 closest to unity will indicate the adequate model to correctly describe the kinetics of adsorption of the dye.
Table 3 summarizes the rate constants and correlation coefficients (R2) of the three kinetic models. The fitting of the kinetic data in the pseudo-second-order equation showed excellent linearity with high correlation coefficient (R2 > 0.999), and the good agreement between the experimental and calculated equilibrium adsorption for the pseudo-second-order model confirms that this one describes correctly the adsorption kinetics. Similar results have been observed in the adsorption of basic dyes onto Moroccan Clay [59] and in the adsorption of Methylene Blue (MB) by montmorillonite clay [60].
Dyes concentration (mg/l) | Pseudo-first order | Pseudo-second order | Intraparticle diffusion | ||||||||
---|---|---|---|---|---|---|---|---|---|---|---|
qe,exp | qe,cal | K1 | R2 | qe,cal | K2 | R2 | Ki | C | R2 | ||
BB9 (S) | 10 | 15.48 | 7.998 | 0.028 | 0.752 | 15.78 | 0.198 | 0.999 | 0.095 | 16.20 | 0.965 |
20 | 32.07 | 0.857 | 0.037 | 0.668 | 31.34 | 0.156 | 1.000 | 0.114 | 30.24 | 0.976 | |
30 | 47.72 | 1.795 | 0.074 | 0.403 | 47.85 | 0.109 | 1.000 | 0.306 | 45.66 | 0.794 | |
40 | 58.45 | 8.707 | 0.061 | 0.783 | 58.82 | 0.022 | 0.999 | 0.927 | 51.51 | 0.971 | |
BY28(S) | 10 | 12.69 | 0.129 | 0,112 | 0,485 | 12.73 | 0,470 | 1.000 | 0,100 | 12.04 | 0,542 |
20 | 28.39 | 0.823 | 0,070 | 0,826 | 28.49 | 0,246 | 1.000 | 0,098 | 27.72 | 0,798 | |
30 | 43.14 | 2.960 | 0,023 | 0,913 | 42.37 | 0,071 | 0,999 | 0,316 | 39.86 | 0,905 | |
40 | 58.89 | 96.11 | 0,285 | 0,858 | 59.88 | 0,020 | 0,999 | 1.499 | 49,17 | 0,825 | |
BB9(B) | 10 | 15.80 | 23.22 | 0.041 | 0.484 | 15.82 | 1.051 | 1.000 | 0.036 | 15.54 | 0.756 |
20 | 32.01 | 1.376 | 0.054 | 0.892 | 32.05 | 0.191 | 1.000 | 0.217 | 30.45 | 0.843 | |
30 | 43.82 | 8.586 | 0.064 | 0.937 | 44.05 | 0.031 | 0.999 | 0.881 | 37.27 | 0.982 | |
40 | 48.00 | 51.54 | 0.059 | 0.812 | 50.76 | 0.003 | 0.960 | 4.923 | 9.712 | 0.954 | |
BY28(B) | 10 | 12.08 | 3.088 | 0.177 | 0.813 | 12.16 | 0.209 | 0.999 | 0.131 | 11.19 | 0.873 |
20 | 14.37 | 12.58 | 0.217 | 0.851 | 14.45 | 0.200 | 0.999 | 0.112 | 13.58 | 0.879 | |
30 | 19.49 | 12.36 | 0.165 | 0.898 | 19.68 | 0.087 | 0.999 | 0.423 | 16.69 | 0.649 | |
40 | 20.49 | 1.173 | 0.170 | 0.756 | 20.57 | 0.332 | 1.000 | 0.167 | 19.42 | 0.502 |
Kinetics parameters for the adsorptive removal onto NSC adsorbent of BB9 and BY28 dyes and their mixture.
The global chemical reactivity descriptors, energy gap (ΔE), dipole moment (μ), hardness (η), softness (S), nucleophilicity (N), and electrophilicity index (ω) witch calculated from HOMO and LUMO energies and are obtained at the level of theory B3LYP/6 G-31G(d) and summarized in Table 4.
Dyes | BB9 | BY28 |
---|---|---|
ET (u.a) | −1643.18 | −1754.96 |
μ (Debye) | 11.351 | 7.573 |
EHOMO (eV) | −4.373 | −5.585 |
ELUMO (eV) | −3.210 | −2.387 |
μ (eV) | −3.791 | −3.986 |
η (eV) | 1.163 | 3.198 |
S (eV) | 0.859 | 0.312 |
ω (eV) | 6.178 | 2.480 |
N (eV) | 4.747 | 3.535 |
Quantum chemical parameters of the studied dyes calculated at B3LYP/6 G-31G (d).
Energy gap (ΔEgap = EHOMO – ELUMO): The energy gap between the HOMO and LUMO is very important in determining the chemical reactivity of the molecule dyes toward the adsorption on the adsorbent surface. On the other hand, the decrease in the value of ∆Egap increases the reactivity of the molecule, which facilitates adsorption and increases the adsorption efficiency. It can be seen from Figure 12 that the BB9 dye shows a lower ΔEgap (ΔEgap = 1.163 eV) compared with the BY28 dye, which has a difference of 3.198 eV, which clearly means that the molecule of BB9 is more reactive than BY28, Therefore, the BB9 dye will be adsorbed firstly. This conclusion is in agreement with the experimental results.
Highest occupied molecular orbital (HOMO) and the lowest unoccupied molecular orbital (LUMO) density of BB9 (a) and BY28 (b) BY DFT at the B3LYP/6 G-31G(d).
Dipole moment (μ): The dipole moment (μ) is another important electronic parameter, provides information on the polarity of the whole molecule. The high molecular polarity probably gives rise to great chemical reactivity. It is clearly established in the literature that molecules with high dipole moments are more reactive, and their action results in a significant elimination efficiency. In our case the high dipole moment value of BB9 (11.351 D) probably increases the adsorption between the BB9 dye and the surface of natural clay compared with BY28 (7.573 D), which explains the adsorption efficiency higher than BB9 when compared with BY28 and confirms the experimental results.
The high percentage of elimination of a molecule is linked to a low value for chemical hardness and a high value for softness. In the present work, the values of the global hardness (η) and the softness (σ) presented in Table 5 clearly show that the BB9 dye has the lowest value of the hardness (η = 1.163 eV) and the higher value of the softness (S = 0.859 eV), which explains their significant elimination percentage compared with BY28, these results are in good agreement with the experimental results.
Dye | N° of atoms | Atoms | ||||
---|---|---|---|---|---|---|
BB9 | 1 | C | 0.117052 | −0.091655 | 0.72314726 | — |
2 | C | −0.083178 | 0.109989 | — | 0.52134786 | |
3 | C | 0.123453 | −0.0193705 | 0.76269263 | 0.09195176 | |
4 | C | −0.0825946 | 0.0874818 | −0.51026944 | 0.4152761 | |
5 | C | 0.1346605 | −0.0391588 | 0.83193257 | 0.18588682 | |
6 | C | −0.044701 | 0.0617533 | −0.27616278 | 0.29314292 | |
7 | C | −0.0622537 | 0.0077143 | −0.38459903 | 0.03661978 | |
8 | C | 0.1288878 | −0.049104 | 0.79626883 | 0.23309669 | |
9 | C | −0.0873976 | 0.0988698 | −0.53994237 | 0.46933494 | |
11 | C | 0.1294818 | −0.031639 | 0.79993856 | 0.15019033 | |
12 | C | −0.045136 | 0.063713 | — | 0.30199962 | |
13 | C | 0.1402246 | −0.0370003 | 0.86630758 | 0.17564042 | |
19 | N | 0.3640112 | −0.0556138 | 2.24885996 | — | |
20 | S | 0.1232636 | −0.0137067 | 0.76152252 | — | |
21 | N | 0.0351644 | 0.09916571 | 0.21724566 | 0.47073963 | |
22 | N | 0.0643843 | 0.15539811 | 0.39776621 | 0.73767483 | |
23 | C | −0.0038013 | −0.006641 | — | — | |
27 | C | −0.0035767 | −0.00689 | — | — | |
31 | C | −0.0061814 | −0.005169 | — | — | |
35 | C | −0.0061321 | −0.010607 | — | — | |
39 | Cl | 0.0012179 | 0.5782508 | 0.00752419 | 2.74495655 | |
BY28 | 1 | C | 0.040255 | 0.066561 | 0.105689697 | 0.23709028 |
2 | C | −0.000773 | 0.00887 | — | 0.03159494 | |
3 | C | 0.045305 | 0.037015 | 0.118214337 | 0.13184743 | |
4 | C | −0.025946 | −0.014818 | — | — | |
5 | C | 0.066052 | 0.091588 | 0.172349484 | 0.32623646 | |
6 | C | −0.021701 | −0.037533 | — | — | |
7 | C | −0.036225 | 0.001143 | — | 0.00407137 | |
8 | C | 0.458878 | −0.089904 | 1.197350365 | — | |
13 | C | −0.173976 | 0.168698 | — | 0.60090228 | |
15 | C | −0.014488 | 0.091639 | — | 0.32641812 | |
16 | C | 0.022465 | 0.020003 | 0.058617925 | 0.07125069 | |
17 | C | 0.03011 | −0.006138 | 0.078566023 | — | |
18 | C | −0.011644 | 0.016571 | — | 0.05902590 | |
20 | C | −0.013843 | 0.039811 | — | 0.14180678 | |
22 | C | 0.026365 | 0.07067 | 0.068794195 | 0.25172654 | |
24 | N | 0.121797 | 0.125083 | 0.317804912 | 0.44554565 | |
25 | N | 0.362411 | −0.068898 | 0.945639022 | — | |
26 | N | 0.059207 | 0.13669 | 0.154488825 | 0.48688978 | |
27 | C | −0.006573 | −0.003929 | — | — | |
31 | C | 0.019834 | 0.001078 | 0.051752856 | 0.00383984 | |
35 | C | 0.016503 | 0.000443 | 0.043061278 | 0.00157797 | |
39 | O | 0.000958 | 0.10219 | 0.002499709 | 0.36400078 | |
40 | O | 0.00195 | 0.081069 | 0.005088135 | 0.28876778 | |
42 | C | −0.000314 | −0.005534 | — | — |
Theoretical prediction of reactive sites using Parr function for BB9 and BY28 dyes.
Global electrophilicity index (ω): The global electrophilicity index (ω) represents the capacity of the dyes to accept electrons. More reactive nucleophilic is characterized by lower value of ω, and conversely more reactive electrophilic is characterized by a higher value of ω. From Table 5, we notice that the electrophilicity value of BB9 (ω = 6.178) is greater than that of BY28 (ω = 2.48); this indicates that the molecule of BB9 is more electrophilic than that of BY28. Consequently, BB9 will be adsorbed first followed by BY28.
The local reactivity site of the studied dyes has been analyzed by evaluating Parr functions (PF). The PF is used to obtain the detail information of local reactivity of each atom in the molecule. Domingo proposed the Parr functions P(r) [61], which are given by the following equations:
With these electrophilic and nucleophilic Parr functions are at hand, the local electrophilicity ωK and the local nucleophilicity NK indices will be redefined as follows:
Table 5 shows that at the DFT level, the most susceptible site to a nucleophilic attack for BB9 is located on sulfur, nitrogen, and benzene ring. In the case of an electrophilic attack, the most reactive site is on Cl39. For BY28 the more susceptible sites to nucleophilic attacks are nitrogen and C8 atoms, while N26 and C13 are the most susceptible sites for electrophilic. The results indicated that the BB9 dye has more and strong electrophilic sites than BY28; consequently, BB9 has a high affinity for NSC than BY28.
In this study, Monte Carlo simulations were performed to study the adsorption and orientation of dyes on charged surfaces based on (001) kaolinite surface and all-atom models. The most stable low-energy adsorption configurations of the studied dyes are shown in Figure 13. It is clear that the three dyes examined BB9, BB41, and BY28 are adsorbed almost parallel to the plane to maximize surface and contact coverage. These adsorption configurations indicate that there are strong interactions between the studied dyes and the kaolinite atoms. This facilitates their adsorption to the surface of the kaolinite (001) by blocking a maximum of sites and ensuring a great influence on the removal efficiency.
The most stable low-energy configuration for the adsorption of the dyes on kaolinite surface obtained through the Monte Carlo simulations.
The outputs and descriptors calculated by the Monte Carlo simulation are presented in Table 6. The parameters presented in Table 6 include total energy, in kcal mol−1, of the substrate–adsorbate configuration. As can be seen from Table 6, BB9 gives the maximum adsorption energy in negative value found during the simulation process. High values of adsorption energy indicate that BB9 molecule will give the highest removal efficiency and strong interaction between a kaolinite substrate and the studied dye. These results are in good agreement with experimental findings.
System | Total energy | Adsorption Energy | Rigid adsorption energy | Deformation energy | Ead/Ni Dye |
---|---|---|---|---|---|
BB9/(001) | −111.4 | −150.77 | −166.5 | −317.53 | |
BY28/(001) | −213.8 | −146.92 | −117.07 | −29.89 | −147.18 |
Outputs and descriptors calculated by the Monte Carlo simulations for the lowest adsorption configurations of tested dyes on kaolinite (001) surface (in kcal/Mol).
To further confirm our results, we have performed the energy fluctuation curves as obtained from MD simulations; the equilibration of the system is confirmed by the stable mean values of energy fluctuations, as shown in Table 7. The mean square displacement (MSD) and the diffusion coefficient were calculated after 100,000 steps. The obtained data included in Table 7 show that the diffusion coefficient of the free water molecules was more pronounced (5.85 × 10−6 cm2/s) than the water with BB9 and BY28 molecules. Much smaller diffusion coefficients obtained for water with BB9 were caused by the strong interaction between (water + BB9) and the kaolinite surface, which decreased the mobility of the water [62].
Conditions | Diffusion coefficient of water (10−6 cm2/s) |
---|---|
Free water molecules | 5.850 |
Water with BY28 | 2.430 |
Water with BB9 | 0.450 |
Calculated diffusion coefficient of free water and water with dyes in kaolinite surface.
The results obtained in this research indicated that natural safiot clay was considered low cost, eco-friendly, and a promising alternative adsorbent for removing BB9 and BY28 dyes in single and binary systems from an aqueous solution. The percentage of dye removed increased with increasing adsorbent dosage, decreased with increasing initial dye concentration, and varied with dye solution pH. The rate of adsorption was found to obey pseudo-second-order kinetics model with a good correlation coefficient indicating toward chemisorption, and the Langmuir isotherm represented the equilibrium adsorption and shows monolayer homogeneous surface of adsorbent for single and binary mixture.
All the theoretical parameters of DFT calculations show that the two dyes can be adsorbed and that the BB9 molecule has the best percentage of elimination. From this calculation, we note that: The dye removal efficiency increases with the highest values of ω, ELUMO, μ, and S and the lowest values of ∆Egap, EHOMO and η. Another important conclusion that we can draw from these calculations is that the theoretical results from reactivity descriptors show that nitrogen, sulfur, carbon, and nitrogen atoms of BB9 and BY28 are the main adsorption sites, respectively. Finally, this study displays a good correlation between the theoretical and experimental data, which confirm the reliability of the quantum chemical methods to study the competitive adsorption of two cationic dyes onto NSC surfaces, in the single and binary system. DFT calculations, Monte Carlo method, and Molecular dynamics simulations support the experimental findings.
The constant development of medical applications using ionizing radiation requires an understanding of the transport of particles through materials, such as tissues, organs, patients, imaging devices. For this reason, computational simulations, using the Monte Carlo Method, have been extensively used in several areas, specifically, in Radiological Physics, where this tool is applied for modeling a treatment or medical examinations, for example, that for some regions of interest are difficulties and complexities to making experimentally.
Several computational codes, based on Monte Carlo simulation, have been used in radiological protection, radiotherapy source dosimetry, planning systems, and other applications PENELOPE [1, 2, 3, 4, 5, 6], MCNP [7, 8, 9, 10, 11], EGSnrc [12, 13, 14, 15], FLUKA [16, 17, 18, 19, 20], TOPAS [21, 22, 23, 24, 25], GAMOS [26, 27, 28, 29], Geant [30, 31].
In this work, some applications will be presented, in different scenarios to determine dose, relative dose, dose distribution, as well as to determine dosimetric parameters used in radiotherapy, using computational codes through Monte Carlo simulation.
In this section, some applications of computational codes in radiotherapy will be presented.
The PENELOPE (PENetration and Energy LOss of Positrons and Electrons) computational code includes several computational codes written in FORTRAN 77 [32]. The package simulates the transport of electrons, photons, and positrons in arbitrary materials and energy values from 100 eV to 1 GeV, in geometries and materials defined by the user [33]. PENELOPE has a database of cross-sections for materials involving elements with atomic numbers from 1 to 92, and 180 other compounds and mixtures of interest in Radiological Physics.
This computational code has been used in several applications in Radiotherapy, such as determining parameters of brachytherapy sources [4, 34, 35, 36].
According to the TG-43 protocol, later revised and entitled TG-43 U1 [37, 38], the calculation of the dosimetric parameter Anisotropy Function is performed through Eq. (1):
where D is the dose rate; r is the distance from the center of the source to the point of interest (in cm),
Quevedo et al. [4] determined a dosimetric parameter, using Monte Carlo simulation with the PENELOPE package. The high dose-rate 192Ir brachytherapy source commonly used in gynecological brachytherapy was modeled, and the Anisotropy Function in regions close to the source was determined. Figure 1 shows (a) the source geometry, modeled in the PENELOPE package, and (b) the Anisotropy Function in regions close to the irradiation source.
(a) Source geometry, modeled in the PENELOPE package, adapted from Quevedo et al. [
To validate the results obtained, using Monte Carlo simulation with the PENELOPE package, dose profiles in the longitudinal direction of the source were compared with data from the BrachyVision planning system. Figure 2 shows the comparisons of relative doses, as a function of distances, between the PENELOPE package and the BrachyVision treatment planning system for distances (a) 0.4 cm from the center of the source towards the source cable, (b) center of the source and (c) 0.4 cm from the center of the source towards the top of the source encapsulation, adapted from Quevedo et al. [4].
Relative dose comparisons, as a function of distances, between the PENELOPE package and the BrachyVision treatment planning system for distances (a) 0.4 cm from the center of the source towards the source cable, (b) center of the source, and (c) 0.4 cm from the center of the source towards the top of the source encapsulation, adapted from Quevedo et al. [
From the comparisons in the three plans, it is possible to verify that the data obtained in the simulations with the PENELOPE package shows agreement greater than 98% of the points, with the data obtained from the treatment planning system, indicating that the PENELOPE package has great potential in the determination of dosimetric parameters of high dose rate brachytherapy sources.
The TOPAS (Tool for Particle Simulation) computational code is based on physical Geant4 models and low energy electromagnetic models of the PENELOPE code [39] and has shown great potential for simulations in medical and quality control applications [22, 40, 41, 42, 43].
TOPAS is based on an innovative parameter control system, which allows the modeling of therapy and imaging devices without the need for programming knowledge, in order to reduce user errors. The code has a vast library of predefined modules for geometry, physical models, and detection. Despite this, it is possible for more experienced users to write their own modules in C++. You can also create patient geometries based on computed tomography (CT) images. Therefore, TOPAS presents itself as a highly extensible and accessible tool for medical physicists for modeling therapy and imaging devices.
Another innovative feature of this code is that it handles time-dependent amounts, that is, it has 4D resources through its Time Feature System. Time-varying amounts are essential for modeling advanced radiotherapy treatment techniques, the Image-Guided Radiotherapy (IGRT) technique is an example of this, where the positioning of the patient or target organ varies. Therefore, TOPAS proposes an approach to 4D simulation to deal with various time-dependent quantities in a single simulation, such as volume change, rotational movement, current variation, magnetic field, etc. [44].
Knoll et al., determined dose deposition from a source of brachytherapy used in ophthalmic treatments [23]. In this work, the applicator used in the treatment, which uses the 90Sr/90Y source, was modeled in the TOPAS code, including the active part, encapsulation, and simulator object filled with water. A relative dose profile was obtained in a high dose gradient region, normalized at the reference point to 1 mm and, for validation purposes, the data obtained with TOPAS were compared with data from the ICRU (International Commission on Radiation & Measurements) with the same conditions. Figure 3 shows (a) geometry of the 90Sr/90Y source with applicator and simulator object and (b) comparison of relative dose, as a function of distance, between TOPAS and ICRU data (Adapted from [23]).
(a) 90Sr/90Y source geometry with applicator and simulator object and (b) comparison of relative dose, as a function of distance, between TOPAS and ICRU data (adapted from [
The greatest uncertainty obtained in computer simulations with the TOPAS code was approximately 0.01% at the point where it was normalized. When compared to the ICRU, the greatest difference found was approximately 4% at 1.6 mm depth. Thus, the TOPAS code has been shown to be a promising tool for dosimetry in brachytherapy and radiological applications.
Although the TOPAS code provides a wide range of tools for use in radiotherapy at patient scale or clinically applicable geometries, the fundamental unit of biological response to the effects of ionizing radiation is at the cellular or subcellular scale. For this reason, TOPAS has an extension dedicated to the study of the biological effects of radiation in micrometer and nanometer scale, designed based on Geant4-DNA, the extension of Geant4, the basis of TOPAS, so that very low energy are included in the interactions.
When interacting with matter, excitations and ionizations can be caused due to ionizing radiation. In the context of radiotherapy, incident particles cause radiolysis of water and subsequent chemical interactions, inducing molecular damage to the cell, more specifically to DNA, which is the critical target for most biological effects of radiation [45]. For this reason, TOPAS-nBio has several models of cellular and subcellular geometries (such as blood cells and single and double-stranded DNA models, for example) specialized in a pre-defined way [46]. Furthermore, with regard to biological modeling, the code inherits the chemical parameters provided by the Geant4-DNA toolkit and also includes mechanistic DNA repair models to perform water radiolysis simulations. With this, it is possible to develop complete modeling from the initial physical events to the final observed biological result [47].
According to Semenenko et al. [48] the combination of runway structure simulations with core geometry models is considered the gold standard for predicting the spectrum of DNA damage induced by ionizing radiation. Therefore, Hongyu et al. [43] determined the cellular response after proton irradiation using the TOPAS-nBio code for damage induction and repair modeling with MEDRAS, which is a model capable of predicting the main final biological damage in a variety of cell types, including repair kinetics, chromosomal aberrations, and cell survival.
To determine the DNA damage yield, the results were scored in the SSD format and quantified by strand break (SBs), single-strand break (SSBs), and double-strand break (DSBs) yields, compared to published and experimentally measured data.
The initial DNA damage after proton irradiation (0.5–500 MeV, corresponding to the LET region of 60–0.2 keV/μm) was simulated with the code. The core model used was placed in the center of a cubic world with a side length of 14 μm, containing the core, filled with water. Primary protons were randomly initiated on the surface of the nucleus and propagated within the nucleus in a random direction. Induced DNA damage caused by direct and indirect interactions in the physical and chemical stages was quantified as SBs, SSBs, or DSBs and sent in standard DNA damage data format (SDD). To get enough statistics, 100 stories were performed for each energy point. Each simulation had a fixed number of primary particles and deposited a dose of 1 Gy inside the nucleus. Statistical uncertainty associated with DSB dose and yield was less than 2%.
The average LET was recorded as a radiation quality index and calculated by the equation:
where d is the average length of the proton path inside the nucleus and ε is the energy deposition of primary and secondary particles inside the nucleus.
The initial DNA damage induced by incident protons was simulated by modeling the physical and chemical interactions within the nucleus with standard process models available in TOPAS-nBio.
As a result, a relationship was obtained between the LET of the proton according to literature references and the simulated particle energy in TOPAS-nBio. In low energy regions, the maximum discrepancy between the results was 32.5%, probably due to the size of the scoring volume, and in this low energy region, the protons do not cross the entire nucleus. However, there was an optimal agreement of 96%, as shown in Figure 4.
Proton LET as a function of proton energy compared to experimental data [
The results of DNA damage as a function of the LET of the proton simulated with TOPAS-nBio were also obtained, as shown in Figure 5.
DNA damage obtained with TOPAS-nBio. Eml A: Total, direct, and indirect SB yield per Gy per Gbp of DNA. In B: Total, direct and indirect SSB yield per Gy per Gbp of DNA. In C: Total, direct, indirect, and hybrid DSB yield per Gy per Gbp of DNA. In D: Contribution of indirect or hybrid damage to SB, SSB, and DSB [
The figure shows a relationship between the relative contribution of direct and hybrid damage as a fraction of each type of SB, SSB, and DSB break. Thus, it was shown that most SBs and SSBs would be caused by indirect damage and the indirect contribution rate would increase from approximately 60% to approximately 75% at 4.5 keV/μm (10 MeV proton energy) and, then decrease to higher LET values where radiolysis is denser, causing a greater number of chemical interactions. Furthermore, it was shown that most DSB damage was classified as a hybrid type, caused by the combination of direct and indirect damage. Simulations using TOPAS-nBio showed that Monte Carlo tools can predict DNA damage and can be used to interpret experimental data and design new theories.
Monte Carlo simulations have been applied to determine and study different parameters that are challenged in experimental measurements, due to its capability in simulating the radiation transport. In this chapter were presented applications for radiotherapy procedures, in scenarios with homogeneous and anatomical phantoms determining dose values, dose distribution, and dosimetric parameters through the PENELOPE and TOPAS code, showing itself as a useful tool for radiotherapy.
IntechOpen publishes different types of publications
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\\n\\nCompacts are the preferred publishing option for brief research reports on new topics, in-depth case studies, dissertations, or essays exploring new ideas, issues, or broader topics on the research subject. Compacts usually have between 50 and 130 pages.
\\n\\nCollection of papers presented at conferences, workshops, symposiums, or scientific courses, published in book format
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\n\nREVIEW CHAPTER – A review chapter analyzes or examines research previously published by other scientists, rather than reporting new findings thus summarizing the current state of understanding on a topic.
\n\nCASE STUDY – A case study involves an in-depth, and detailed examination of a particular topic.
\n\nPERSPECTIVE CHAPTER – A perspective chapter offers a new point of view on existing problems, fundamental concepts, or common opinions on a specific topic. Perspective chapters can propose or support new hypotheses, or discuss the significance of newly achieved innovations. Perspective chapters can focus on current advances and future directions on a topic and include both original data and personal opinion.
\n\nINTRODUCTORY CHAPTER – An introductory chapter states the purpose and goals of the book. The introductory chapter is written by the Academic Editor.
\n\nMonographs is a self-contained work on a particular subject, or an aspect of it, written by one or more authors. Monographs usually have between 130 and 500 pages.
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In this chapter, cloud computing and other information technologies based accounting start-ups are covered, and the effects of these highly increasing start-ups on the profession of accounting have been addressed. In conclusion, it has been predicted that technology-based accounting start-ups with both accounting professionals and entrepreneurs having an expertise on information technologies will come together and will increase in the future, and cloud-based accounting initiatives will shape the future of the profession.",book:{id:"6000",slug:"accounting-and-corporate-reporting-today-and-tomorrow",title:"Accounting and Corporate Reporting",fullTitle:"Accounting and Corporate Reporting - Today and Tomorrow"},signatures:"Burak Özdoğan",authors:[{id:"203445",title:"Dr.",name:"Burak",middleName:null,surname:"Ozdogan",slug:"burak-ozdogan",fullName:"Burak Ozdogan"}]},{id:"55274",doi:"10.5772/intechopen.68832",title:"Paradigm Shift in Corporate Reporting",slug:"paradigm-shift-in-corporate-reporting",totalDownloads:2189,totalCrossrefCites:4,totalDimensionsCites:6,abstract:"In this paper, we present the evolution of integrated reporting and organizations playing an active role in this process. As a result of the changes, corporate reports including only historical financial information have become insufficient. It has started to be important for the firms to be sensitive towards environment, social capital and governance. For these reasons, authorities started to search for new reporting types. Their aim was to form a report giving detailed (prospective and retrospective) information about the total performance of the firm. Sustainability reports, the starting point of integrated reporting, were established and Global Reporting Initiative (GRI) standards were formed to increase the popularization. Integrated reports aim to supply full disclosure about the firms’ strategies, goals and performances. They also respond to the demands and needs of key stakeholders. In order to actualize the financial stability and sustainability, they are necessary. Integrated reports also put related groups into play. So, decision makers become a participant instead of watching the system from outside. In addition, integrated thinking philosophy provides systematic disclosure of value creation, namely how organizations made resource allocations in the past and how they will create value in the future according to their business models.",book:{id:"6000",slug:"accounting-and-corporate-reporting-today-and-tomorrow",title:"Accounting and Corporate Reporting",fullTitle:"Accounting and Corporate Reporting - Today and Tomorrow"},signatures:"Pınar Okan Gökten and Beyhan Marşap",authors:[{id:"204188",title:"Ph.D.",name:"Pınar",middleName:null,surname:"Okan Gokten",slug:"pinar-okan-gokten",fullName:"Pınar Okan Gokten"},{id:"204189",title:"Prof.",name:"Beyhan",middleName:null,surname:"Marsap",slug:"beyhan-marsap",fullName:"Beyhan Marsap"}]},{id:"56092",doi:"10.5772/intechopen.69103",title:"Value Relevance of Accounting Data in an Emerging Market: Did Accounting Reforms Make a Difference?",slug:"value-relevance-of-accounting-data-in-an-emerging-market-did-accounting-reforms-make-a-difference-",totalDownloads:1450,totalCrossrefCites:3,totalDimensionsCites:3,abstract:"This study investigates the association of accounting earnings (NI) and book value of equity (BV) with stock prices in Istanbul Stock Exchange (ISE), currently Borsa Istanbul (BIST), during the 1992–2006 period. We also explore the effect of accounting reforms on value relevance that is measured as the strength of the association between a firm’s NI and BV and its market value. We specifically investigate the impact of the Turkish Uniform Chart of Accounts (1994), mandatory inflation accounting, consolidations and voluntary (2003–2004), and the mandatory (2005) adoption of International Financial Reporting Standards (IFRS). We hypothesize that these reforms have reduced information asymmetry and thus are expected to enhance the value relevance of accounting information. We find strong evidence that the Ohlson model is a valid model, and BV is more value relevant than NI in BIST. We also find that inflation accounting and consolidations have enhanced the value relevance of BV, while IFRS has increased the value relevance of NI, but reduced that of BV. We contribute to the debate by exploiting the unique sequence of reforms, to come up with comparative value relevance testing designs and interesting results for all major reforms, which we believe will be instructive for researchers and for all emerging and developed economies undergoing similar reforms and best practices.",book:{id:"6000",slug:"accounting-and-corporate-reporting-today-and-tomorrow",title:"Accounting and Corporate Reporting",fullTitle:"Accounting and Corporate Reporting - Today and Tomorrow"},signatures:"Mine Aksu, Ayse Tansel Cetin and Can Simga Mugan",authors:[{id:"203574",title:"Associate Prof.",name:"Mine",middleName:null,surname:"Aksu",slug:"mine-aksu",fullName:"Mine Aksu"},{id:"204249",title:"Prof.",name:"Can Simga",middleName:null,surname:"Mugan",slug:"can-simga-mugan",fullName:"Can Simga Mugan"},{id:"204250",title:"Prof.",name:"Ayse",middleName:null,surname:"Tansel Cetin",slug:"ayse-tansel-cetin",fullName:"Ayse Tansel Cetin"}]},{id:"61095",doi:"10.5772/intechopen.76867",title:"Ethical Awareness, Ethical Decision Making, and Transparency: A Study on Turkish CPAs in Istanbul",slug:"ethical-awareness-ethical-decision-making-and-transparency-a-study-on-turkish-cpas-in-istanbul",totalDownloads:1619,totalCrossrefCites:3,totalDimensionsCites:3,abstract:"This research aims to reveal the connections among ethical awareness, ethical decision making, and transparency from the perspective of certified public accountants (CPAs) in Istanbul. Data are collected from Turkish CPAs’ survey responses, which are based on a seven-point Likert scale, and analyzed using explanatory factor analysis. Hypotheses were tested using ordinary least squares regression, and the results show that, based on the participants’ average responses, CPAs are affected mainly by the level of their ethical awareness in decision making about an ethical issue or transparency of financial reports, which indicates that the three concepts are strongly connected to each other.",book:{id:"6660",slug:"accounting-from-a-cross-cultural-perspective",title:"Accounting from a Cross-Cultural Perspective",fullTitle:"Accounting from a Cross-Cultural Perspective"},signatures:"Nida Türegün",authors:[{id:"238085",title:"Ph.D.",name:"Nida",middleName:null,surname:"Türegün",slug:"nida-turegun",fullName:"Nida Türegün"}]},{id:"55385",doi:"10.5772/intechopen.68778",title:"Public Accounting Reform from Institutional Theory Perspectives: Case of Turkey",slug:"public-accounting-reform-from-institutional-theory-perspectives-case-of-turkey",totalDownloads:1711,totalCrossrefCites:0,totalDimensionsCites:2,abstract:"In the literature, it is often found that institutional theory is used as the theoretical framework to explain the development and application of accounting. By means of these studies, it becomes easier to understand accounting as a social and political activity within itself and thus to be able to understand the economic, institutional, political and social environment of the turnover of the practices. In this regard, the main aim of this study is to explain the development of the public accounting system in Turkey with the help of institutional theory. Thus, it is aimed to explain all the dynamics that provide the institutionalization of state account in the national sense, together with the economic, political and social processes of the period in question. It is revealed that the regulatory arrangements directly contribute to the institutionalization of a field, and as a result, how the public organizations directly contribute to the institutionalization process.",book:{id:"6000",slug:"accounting-and-corporate-reporting-today-and-tomorrow",title:"Accounting and Corporate Reporting",fullTitle:"Accounting and Corporate Reporting - Today and Tomorrow"},signatures:"Ceray Aldemir and Tuğba Uçma Uysal",authors:[{id:"204342",title:"Dr.",name:"Ceray",middleName:null,surname:"Aldemir",slug:"ceray-aldemir",fullName:"Ceray Aldemir"},{id:"204348",title:"Dr.",name:"Tugba",middleName:null,surname:"Ucma Uysal",slug:"tugba-ucma-uysal",fullName:"Tugba Ucma Uysal"}]}],mostDownloadedChaptersLast30Days:[{id:"78825",title:"Accounting Quality and Its Challenges in 21st Century",slug:"accounting-quality-and-its-challenges-in-21st-century",totalDownloads:256,totalCrossrefCites:0,totalDimensionsCites:0,abstract:"This paper describes current research to drive future research challenges in accounting quality. The definition of accounting quality is mainly varying depending on the objective that the study pointed. Previous research revealed that many proxies describe the accounting quality but most of them from the financial perspective. Furthermore, this paper tries to expose this research issue in the behavioural approach and drive future research in the mixed method. It concludes that the behavioural issues can be a research model, triggering future research challenges in accounting quality. The authors support these triggers from the perspectives of political hegemony, bureaucracy ratcheting, cognitive distortion, and international accounting standard. Finally, we infer and simultaneously predict that accounting quality would broaden its concepts and lasting impression in the 21st century.",book:{id:"10818",slug:"accounting-and-finance-innovations",title:"Accounting and Finance Innovations",fullTitle:"Accounting and Finance Innovations"},signatures:"Sumiyana Sumiyana, Hendrian Hendrian, Ruslan Effendi, Krisnhoe Fitrijati and Sriwidharmanely Sriwidharmanely",authors:[{id:"328451",title:"Prof.",name:"Sumiyana",middleName:null,surname:"Sumiyana",slug:"sumiyana-sumiyana",fullName:"Sumiyana Sumiyana"},{id:"328452",title:"Dr.",name:"Sriwidharmanely",middleName:null,surname:"Sriwidharmanely",slug:"sriwidharmanely-sriwidharmanely",fullName:"Sriwidharmanely Sriwidharmanely"},{id:"350499",title:"Dr.",name:"Hendrian",middleName:null,surname:"Hendrian",slug:"hendrian-hendrian",fullName:"Hendrian Hendrian"},{id:"350500",title:"Dr.",name:"Ruslan",middleName:null,surname:"Effendi",slug:"ruslan-effendi",fullName:"Ruslan Effendi"},{id:"350501",title:"Dr.",name:"Krisnhoe",middleName:null,surname:"Fitrijati",slug:"krisnhoe-fitrijati",fullName:"Krisnhoe Fitrijati"}]},{id:"61095",title:"Ethical Awareness, Ethical Decision Making, and Transparency: A Study on Turkish CPAs in Istanbul",slug:"ethical-awareness-ethical-decision-making-and-transparency-a-study-on-turkish-cpas-in-istanbul",totalDownloads:1619,totalCrossrefCites:3,totalDimensionsCites:3,abstract:"This research aims to reveal the connections among ethical awareness, ethical decision making, and transparency from the perspective of certified public accountants (CPAs) in Istanbul. Data are collected from Turkish CPAs’ survey responses, which are based on a seven-point Likert scale, and analyzed using explanatory factor analysis. Hypotheses were tested using ordinary least squares regression, and the results show that, based on the participants’ average responses, CPAs are affected mainly by the level of their ethical awareness in decision making about an ethical issue or transparency of financial reports, which indicates that the three concepts are strongly connected to each other.",book:{id:"6660",slug:"accounting-from-a-cross-cultural-perspective",title:"Accounting from a Cross-Cultural Perspective",fullTitle:"Accounting from a Cross-Cultural Perspective"},signatures:"Nida Türegün",authors:[{id:"238085",title:"Ph.D.",name:"Nida",middleName:null,surname:"Türegün",slug:"nida-turegun",fullName:"Nida Türegün"}]},{id:"78745",title:"Analysis of Return and Risk of Cryptocurrency Bitcoin Asset as Investment Instrument",slug:"analysis-of-return-and-risk-of-cryptocurrency-bitcoin-asset-as-investment-instrument",totalDownloads:421,totalCrossrefCites:1,totalDimensionsCites:0,abstract:"This study aims to explore the potential use of the cryptocurrency bitcoin as an investment instrument in Indonesia. The return obtained from bitcoin cryptocurrency is compared to other investment instruments, namely stock returns, gold and the rupiah exchange rate. The research period was carried out based on research data from 2011 to 2020. This study employee compares means test (t test) and analysis of variance (F test) on rate of return of bitcoin investment. The bitcoin return compare to the rate of return form the others investments instruments namely exchange rate, gold and stock. The study collected 120 data of each investments instruments: bitcoin, exchange rate, gold and stock from various of sources during 2011–2020. Then, we calculate the return and risk of individual investment instruments. The results showed that the bitcoin currency had the highest rate of return 18% with a standard deviation of 61% compared to exchange rate, gold and stock returns. While the rate of return for the others investment instruments showed less than 0.5% with standard deviation less than 5%. The rate of return bitcoin has significance difference compare to the rate of return of exchange rate, gold and stock. The study contribute for the investors who would like to invest on bitcoin. The investors should understand the characteristic of bitcoin in term of rate of returns and also the risk. This study also contributes to government of Indonesia on crypto currency development. The Indonesia government should adopt and regulate on crypto currency in the future to secure the investor and economic growth.",book:{id:"10818",slug:"accounting-and-finance-innovations",title:"Accounting and Finance Innovations",fullTitle:"Accounting and Finance Innovations"},signatures:"Sunita Dasman",authors:[{id:"348739",title:"Dr.",name:"Sunita",middleName:null,surname:"Dasman",slug:"sunita-dasman",fullName:"Sunita Dasman"}]},{id:"55587",title:"Historical Development of Government Accounting",slug:"historical-development-of-government-accounting",totalDownloads:2774,totalCrossrefCites:1,totalDimensionsCites:1,abstract:"Government accounting aims at preventing waste in government services and establishing a balance between optimal expenditure and services by managing government assets and government sources in the most efficient way. This balance can be established only by obtaining complete and accurate information from government accounting system on time. Since the users have a low level of knowledge needs in government accounting system, it has been recorded for long years in a cash basis manner. However, as the government’s area of operation expanded and the needs increased, it became obvious that cash basis system had lacking parts. So it started to focus on recording financial transactions and financial reporting. These lacking parts in the accounting system tried to be overcome through a new regulation by focusing on the areas where cash basis accounting system was insufficient; and a change was experienced with regard to applying the accrual basis in the areas of government accounting and financial reporting. This study aims to explain the historical development of government accounting by applications in countries and especially by detailed expressions for Turkey. 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Behavioral accounting concept is examined under the topics of the influence of accounting information on behavior, managerial control (budget participation, nonfinancial measures, leadership, and balanced scorecard), auditing (auditor‐client negotiations, auditor’s judgment, and decision‐making), and ethics (ethical decision‐making, ethical orientation, and rationalizations on unethical behavior) in this chapter.",book:{id:"6000",slug:"accounting-and-corporate-reporting-today-and-tomorrow",title:"Accounting and Corporate Reporting",fullTitle:"Accounting and Corporate Reporting - Today and Tomorrow"},signatures:"Filiz Angay Kutluk",authors:[{id:"203083",title:"Associate Prof.",name:"Filiz",middleName:null,surname:"Angay Kutluk",slug:"filiz-angay-kutluk",fullName:"Filiz Angay Kutluk"}]}],onlineFirstChaptersFilter:{topicId:"62",limit:6,offset:0},onlineFirstChaptersCollection:[],onlineFirstChaptersTotal:0},preDownload:{success:null,errors:{}},subscriptionForm:{success:null,errors:{}},aboutIntechopen:{},privacyPolicy:{},peerReviewing:{},howOpenAccessPublishingWithIntechopenWorks:{},sponsorshipBooks:{sponsorshipBooks:[],offset:8,limit:8,total:0},allSeries:{pteSeriesList:[{id:"14",title:"Artificial Intelligence",numberOfPublishedBooks:8,numberOfPublishedChapters:87,numberOfOpenTopics:6,numberOfUpcomingTopics:0,issn:"2633-1403",doi:"10.5772/intechopen.79920",isOpenForSubmission:!0},{id:"7",title:"Biomedical Engineering",numberOfPublishedBooks:12,numberOfPublishedChapters:98,numberOfOpenTopics:3,numberOfUpcomingTopics:0,issn:"2631-5343",doi:"10.5772/intechopen.71985",isOpenForSubmission:!0}],lsSeriesList:[{id:"11",title:"Biochemistry",numberOfPublishedBooks:27,numberOfPublishedChapters:286,numberOfOpenTopics:4,numberOfUpcomingTopics:0,issn:"2632-0983",doi:"10.5772/intechopen.72877",isOpenForSubmission:!0},{id:"25",title:"Environmental Sciences",numberOfPublishedBooks:1,numberOfPublishedChapters:9,numberOfOpenTopics:4,numberOfUpcomingTopics:0,issn:"2754-6713",doi:"10.5772/intechopen.100362",isOpenForSubmission:!0},{id:"10",title:"Physiology",numberOfPublishedBooks:11,numberOfPublishedChapters:139,numberOfOpenTopics:4,numberOfUpcomingTopics:0,issn:"2631-8261",doi:"10.5772/intechopen.72796",isOpenForSubmission:!0}],hsSeriesList:[{id:"3",title:"Dentistry",numberOfPublishedBooks:8,numberOfPublishedChapters:129,numberOfOpenTopics:0,numberOfUpcomingTopics:2,issn:"2631-6218",doi:"10.5772/intechopen.71199",isOpenForSubmission:!1},{id:"6",title:"Infectious Diseases",numberOfPublishedBooks:13,numberOfPublishedChapters:105,numberOfOpenTopics:3,numberOfUpcomingTopics:1,issn:"2631-6188",doi:"10.5772/intechopen.71852",isOpenForSubmission:!0},{id:"13",title:"Veterinary Medicine and Science",numberOfPublishedBooks:9,numberOfPublishedChapters:101,numberOfOpenTopics:3,numberOfUpcomingTopics:0,issn:"2632-0517",doi:"10.5772/intechopen.73681",isOpenForSubmission:!0}],sshSeriesList:[{id:"22",title:"Business, Management and Economics",numberOfPublishedBooks:1,numberOfPublishedChapters:11,numberOfOpenTopics:2,numberOfUpcomingTopics:1,issn:null,doi:"10.5772/intechopen.100359",isOpenForSubmission:!0},{id:"23",title:"Education and Human Development",numberOfPublishedBooks:0,numberOfPublishedChapters:0,numberOfOpenTopics:2,numberOfUpcomingTopics:0,issn:null,doi:"10.5772/intechopen.100360",isOpenForSubmission:!1},{id:"24",title:"Sustainable Development",numberOfPublishedBooks:0,numberOfPublishedChapters:9,numberOfOpenTopics:4,numberOfUpcomingTopics:1,issn:null,doi:"10.5772/intechopen.100361",isOpenForSubmission:!0}],testimonialsList:[{id:"6",text:"It is great to work with the IntechOpen to produce a worthwhile collection of research that also becomes a great educational resource and guide for future research endeavors.",author:{id:"259298",name:"Edward",surname:"Narayan",institutionString:null,profilePictureURL:"https://mts.intechopen.com/storage/users/259298/images/system/259298.jpeg",slug:"edward-narayan",institution:{id:"3",name:"University of Queensland",country:{id:null,name:"Australia"}}}},{id:"13",text:"The collaboration with and support of the technical staff of IntechOpen is fantastic. 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He obtained a Master’s degree in Public Health and PhD in Public Health and Epidemiology. He has a background in Clinical Medicine and has taken courses at higher diploma levels in public health from University of Transkei, Republic of South Africa, and African Medical and Research Foundation (AMREF) in Nairobi, Kenya. Dr. Kasenga worked in different places in and outside Malawi, and has held various positions, such as Licensed Medical Officer, HIV/AIDS Programme Officer, HIV/AIDS resource person in the International Department of Diakonhjemet College, Oslo, Norway. He also managed an Integrated HIV/AIDS Prevention programme for over 5 years. He is currently working as a Director for the Health Ministries Department of Malawi Union of the Seventh Day Adventist Church. Dr. Kasenga has published over 5 articles on HIV/AIDS issues focusing on Prevention of Mother to Child Transmission of HIV (PMTCT), including a book chapter on HIV testing counseling (currently in press). 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His research interest focuses on computational chemistry and molecular modeling of diverse systems of pharmacological, food, and alternative energy interests by resorting to DFT and Conceptual DFT. He has authored a coauthored more than 255 peer-reviewed papers, 32 book chapters, and 2 edited books. He has delivered speeches at many international and domestic conferences. He serves as a reviewer for more than eighty international journals, books, and research proposals as well as an editor for special issues of renowned scientific journals.",institutionString:"Centro de Investigación en Materiales Avanzados",institution:{name:"Centro de Investigación en Materiales Avanzados",country:{name:"Mexico"}}},{id:"76477",title:"Prof.",name:"Mirza",middleName:null,surname:"Hasanuzzaman",slug:"mirza-hasanuzzaman",fullName:"Mirza Hasanuzzaman",position:null,profilePictureURL:"https://mts.intechopen.com/storage/users/76477/images/system/76477.png",biography:"Dr. Mirza Hasanuzzaman is a Professor of Agronomy at Sher-e-Bangla Agricultural University, Bangladesh. He received his Ph.D. in Plant Stress Physiology and Antioxidant Metabolism from Ehime University, Japan, with a scholarship from the Japanese Government (MEXT). Later, he completed his postdoctoral research at the Center of Molecular Biosciences, University of the Ryukyus, Japan, as a recipient of the Japan Society for the Promotion of Science (JSPS) postdoctoral fellowship. He was also the recipient of the Australian Government Endeavour Research Fellowship for postdoctoral research as an adjunct senior researcher at the University of Tasmania, Australia. Dr. Hasanuzzaman’s current work is focused on the physiological and molecular mechanisms of environmental stress tolerance. Dr. Hasanuzzaman has published more than 150 articles in peer-reviewed journals. He has edited ten books and written more than forty book chapters on important aspects of plant physiology, plant stress tolerance, and crop production. According to Scopus, Dr. Hasanuzzaman’s publications have received more than 10,500 citations with an h-index of 53. He has been named a Highly Cited Researcher by Clarivate. He is an editor and reviewer for more than fifty peer-reviewed international journals and was a recipient of the “Publons Peer Review Award” in 2017, 2018, and 2019. He has been honored by different authorities for his outstanding performance in various fields like research and education, and he has received the World Academy of Science Young Scientist Award (2014) and the University Grants Commission (UGC) Award 2018. He is a fellow of the Bangladesh Academy of Sciences (BAS) and the Royal Society of Biology.",institutionString:"Sher-e-Bangla Agricultural University",institution:{name:"Sher-e-Bangla Agricultural University",country:{name:"Bangladesh"}}},{id:"187859",title:"Prof.",name:"Kusal",middleName:"K.",surname:"Das",slug:"kusal-das",fullName:"Kusal Das",position:null,profilePictureURL:"https://s3.us-east-1.amazonaws.com/intech-files/0030O00002bSBDeQAO/Profile_Picture_1623411145568",biography:"Kusal K. Das is a Distinguished Chair Professor of Physiology, Shri B. M. Patil Medical College and Director, Centre for Advanced Medical Research (CAMR), BLDE (Deemed to be University), Vijayapur, Karnataka, India. Dr. Das did his M.S. and Ph.D. in Human Physiology from the University of Calcutta, Kolkata. His area of research is focused on understanding of molecular mechanisms of heavy metal activated low oxygen sensing pathways in vascular pathophysiology. He has invented a new method of estimation of serum vitamin E. His expertise in critical experimental protocols on vascular functions in experimental animals was well documented by his quality of publications. He was a Visiting Professor of Medicine at University of Leeds, United Kingdom (2014-2016) and Tulane University, New Orleans, USA (2017). For his immense contribution in medical research Ministry of Science and Technology, Government of India conferred him 'G.P. Chatterjee Memorial Research Prize-2019” and he is also the recipient of 'Dr.Raja Ramanna State Scientist Award 2015” by Government of Karnataka. He is a Fellow of the Royal Society of Biology (FRSB), London and Honorary Fellow of Karnataka Science and Technology Academy, Department of Science and Technology, Government of Karnataka.",institutionString:"BLDE (Deemed to be University), India",institution:null},{id:"243660",title:"Dr.",name:"Mallanagouda Shivanagouda",middleName:null,surname:"Biradar",slug:"mallanagouda-shivanagouda-biradar",fullName:"Mallanagouda Shivanagouda Biradar",position:null,profilePictureURL:"https://mts.intechopen.com/storage/users/243660/images/system/243660.jpeg",biography:"M. S. Biradar is Vice Chancellor and Professor of Medicine of\nBLDE (Deemed to be University), Vijayapura, Karnataka, India.\nHe obtained his MD with a gold medal in General Medicine and\nhas devoted himself to medical teaching, research, and administrations. He has also immensely contributed to medical research\non vascular medicine, which is reflected by his numerous publications including books and book chapters. Professor Biradar was\nalso Visiting Professor at Tulane University School of Medicine, New Orleans, USA.",institutionString:"BLDE (Deemed to be University)",institution:{name:"BLDE University",country:{name:"India"}}},{id:"289796",title:"Dr.",name:"Swastika",middleName:null,surname:"Das",slug:"swastika-das",fullName:"Swastika Das",position:null,profilePictureURL:"https://mts.intechopen.com/storage/users/289796/images/system/289796.jpeg",biography:"Swastika N. Das is Professor of Chemistry at the V. P. Dr. P. G.\nHalakatti College of Engineering and Technology, BLDE (Deemed\nto be University), Vijayapura, Karnataka, India. She obtained an\nMSc, MPhil, and PhD in Chemistry from Sambalpur University,\nOdisha, India. Her areas of research interest are medicinal chemistry, chemical kinetics, and free radical chemistry. She is a member\nof the investigators who invented a new modified method of estimation of serum vitamin E. She has authored numerous publications including book\nchapters and is a mentor of doctoral curriculum at her university.",institutionString:"BLDEA’s V.P.Dr.P.G.Halakatti College of Engineering & Technology",institution:{name:"BLDE University",country:{name:"India"}}},{id:"248459",title:"Dr.",name:"Akikazu",middleName:null,surname:"Takada",slug:"akikazu-takada",fullName:"Akikazu Takada",position:null,profilePictureURL:"https://mts.intechopen.com/storage/users/248459/images/system/248459.png",biography:"Akikazu Takada was born in Japan, 1935. After graduation from\nKeio University School of Medicine and finishing his post-graduate studies, he worked at Roswell Park Memorial Institute NY,\nUSA. He then took a professorship at Hamamatsu University\nSchool of Medicine. In thrombosis studies, he found the SK\npotentiator that enhances plasminogen activation by streptokinase. He is very much interested in simultaneous measurements\nof fatty acids, amino acids, and tryptophan degradation products. By using fatty\nacid analyses, he indicated that plasma levels of trans-fatty acids of old men were\nfar higher in the US than Japanese men. . He also showed that eicosapentaenoic acid\n(EPA) and docosahexaenoic acid (DHA) levels are higher, and arachidonic acid\nlevels are lower in Japanese than US people. By using simultaneous LC/MS analyses\nof plasma levels of tryptophan metabolites, he recently found that plasma levels of\nserotonin, kynurenine, or 5-HIAA were higher in patients of mono- and bipolar\ndepression, which are significantly different from observations reported before. In\nview of recent reports that plasma tryptophan metabolites are mainly produced by\nmicrobiota. He is now working on the relationships between microbiota and depression or autism.",institutionString:"Hamamatsu University School of Medicine",institution:{name:"Hamamatsu University School of Medicine",country:{name:"Japan"}}},{id:"137240",title:"Prof.",name:"Mohammed",middleName:null,surname:"Khalid",slug:"mohammed-khalid",fullName:"Mohammed Khalid",position:null,profilePictureURL:"https://mts.intechopen.com/storage/users/137240/images/system/137240.png",biography:"Mohammed Khalid received his B.S. degree in chemistry in 2000 and Ph.D. degree in physical chemistry in 2007 from the University of Khartoum, Sudan. He moved to School of Chemistry, Faculty of Science, University of Sydney, Australia in 2009 and joined Dr. Ron Clarke as a postdoctoral fellow where he worked on the interaction of ATP with the phosphoenzyme of the Na+/K+-ATPase and dual mechanisms of allosteric acceleration of the Na+/K+-ATPase by ATP; then he went back to Department of Chemistry, University of Khartoum as an assistant professor, and in 2014 he was promoted as an associate professor. In 2011, he joined the staff of Department of Chemistry at Taif University, Saudi Arabia, where he is currently an assistant professor. His research interests include the following: P-Type ATPase enzyme kinetics and mechanisms, kinetics and mechanisms of redox reactions, autocatalytic reactions, computational enzyme kinetics, allosteric acceleration of P-type ATPases by ATP, exploring of allosteric sites of ATPases, and interaction of ATP with ATPases located in cell membranes.",institutionString:"Taif University",institution:{name:"Taif University",country:{name:"Saudi Arabia"}}},{id:"63810",title:"Prof.",name:"Jorge",middleName:null,surname:"Morales-Montor",slug:"jorge-morales-montor",fullName:"Jorge Morales-Montor",position:null,profilePictureURL:"https://mts.intechopen.com/storage/users/63810/images/system/63810.png",biography:"Dr. Jorge Morales-Montor was recognized with the Lola and Igo Flisser PUIS Award for best graduate thesis at the national level in the field of parasitology. He received a fellowship from the Fogarty Foundation to perform postdoctoral research stay at the University of Georgia. He has 153 journal articles to his credit. He has also edited several books and published more than fifty-five book chapters. He is a member of the Mexican Academy of Sciences, Latin American Academy of Sciences, and the National Academy of Medicine. He has received more than thirty-five awards and has supervised numerous bachelor’s, master’s, and Ph.D. students. Dr. Morales-Montor is the past president of the Mexican Society of Parasitology.",institutionString:"National Autonomous University of Mexico",institution:{name:"National Autonomous University of Mexico",country:{name:"Mexico"}}},{id:"217215",title:"Dr.",name:"Palash",middleName:null,surname:"Mandal",slug:"palash-mandal",fullName:"Palash Mandal",position:null,profilePictureURL:"https://mts.intechopen.com/storage/users/217215/images/system/217215.jpeg",biography:null,institutionString:"Charusat University",institution:null},{id:"49739",title:"Dr.",name:"Leszek",middleName:null,surname:"Szablewski",slug:"leszek-szablewski",fullName:"Leszek Szablewski",position:null,profilePictureURL:"https://mts.intechopen.com/storage/users/49739/images/system/49739.jpg",biography:"Leszek Szablewski is a professor of medical sciences. He received his M.S. in the Faculty of Biology from the University of Warsaw and his PhD degree from the Institute of Experimental Biology Polish Academy of Sciences. He habilitated in the Medical University of Warsaw, and he obtained his degree of Professor from the President of Poland. Professor Szablewski is the Head of Chair and Department of General Biology and Parasitology, Medical University of Warsaw. Professor Szablewski has published over 80 peer-reviewed papers in journals such as Journal of Alzheimer’s Disease, Biochim. Biophys. Acta Reviews of Cancer, Biol. Chem., J. Biomed. Sci., and Diabetes/Metabol. Res. Rev, Endocrine. He is the author of two books and four book chapters. He has edited four books, written 15 scripts for students, is the ad hoc reviewer of over 30 peer-reviewed journals, and editorial member of peer-reviewed journals. Prof. Szablewski’s research focuses on cell physiology, genetics, and pathophysiology. He works on the damage caused by lack of glucose homeostasis and changes in the expression and/or function of glucose transporters due to various diseases. He has given lectures, seminars, and exercises for students at the Medical University.",institutionString:"Medical University of Warsaw",institution:{name:"Medical University of Warsaw",country:{name:"Poland"}}},{id:"173123",title:"Dr.",name:"Maitham",middleName:null,surname:"Khajah",slug:"maitham-khajah",fullName:"Maitham Khajah",position:null,profilePictureURL:"https://mts.intechopen.com/storage/users/173123/images/system/173123.jpeg",biography:"Dr. Maitham A. Khajah received his degree in Pharmacy from Faculty of Pharmacy, Kuwait University, in 2003 and obtained his PhD degree in December 2009 from the University of Calgary, Canada (Gastrointestinal Science and Immunology). Since January 2010 he has been assistant professor in Kuwait University, Faculty of Pharmacy, Department of Pharmacology and Therapeutics. His research interest are molecular targets for the treatment of inflammatory bowel disease (IBD) and the mechanisms responsible for immune cell chemotaxis. He cosupervised many students for the MSc Molecular Biology Program, College of Graduate Studies, Kuwait University. Ever since joining Kuwait University in 2010, he got various grants as PI and Co-I. He was awarded the Best Young Researcher Award by Kuwait University, Research Sector, for the Year 2013–2014. He was a member in the organizing committee for three conferences organized by Kuwait University, Faculty of Pharmacy, as cochair and a member in the scientific committee (the 3rd, 4th, and 5th Kuwait International Pharmacy Conference).",institutionString:"Kuwait University",institution:{name:"Kuwait University",country:{name:"Kuwait"}}},{id:"195136",title:"Dr.",name:"Aya",middleName:null,surname:"Adel",slug:"aya-adel",fullName:"Aya Adel",position:null,profilePictureURL:"https://mts.intechopen.com/storage/users/195136/images/system/195136.jpg",biography:"Dr. Adel works as an Assistant Lecturer in the unit of Phoniatrics, Department of Otolaryngology, Ain Shams University in Cairo, Egypt. Dr. Adel is especially interested in joint attention and its impairment in autism spectrum disorder",institutionString:"Ain Shams University",institution:{name:"Ain Shams University",country:{name:"Egypt"}}},{id:"94911",title:"Dr.",name:"Boulenouar",middleName:null,surname:"Mesraoua",slug:"boulenouar-mesraoua",fullName:"Boulenouar Mesraoua",position:null,profilePictureURL:"https://mts.intechopen.com/storage/users/94911/images/system/94911.png",biography:"Dr Boulenouar Mesraoua is the Associate Professor of Clinical Neurology at Weill Cornell Medical College-Qatar and a Consultant Neurologist at Hamad Medical Corporation at the Neuroscience Department; He graduated as a Medical Doctor from the University of Oran, Algeria; he then moved to Belgium, the City of Liege, for a Residency in Internal Medicine and Neurology at Liege University; after getting the Belgian Board of Neurology (with high marks), he went to the National Hospital for Nervous Diseases, Queen Square, London, United Kingdom for a fellowship in Clinical Neurophysiology, under Pr Willison ; Dr Mesraoua had also further training in Epilepsy and Continuous EEG Monitoring for two years (from 2001-2003) in the Neurophysiology department of Zurich University, Switzerland, under late Pr Hans Gregor Wieser ,an internationally known epileptologist expert. \n\nDr B. Mesraoua is the Director of the Neurology Fellowship Program at the Neurology Section and an active member of the newly created Comprehensive Epilepsy Program at Hamad General Hospital, Doha, Qatar; he is also Assistant Director of the Residency Program at the Qatar Medical School. \nDr B. Mesraoua's main interests are Epilepsy, Multiple Sclerosis, and Clinical Neurology; He is the Chairman and the Organizer of the well known Qatar Epilepsy Symposium, he is running yearly for the past 14 years and which is considered a landmark in the Gulf region; He has also started last year , together with other epileptologists from Qatar, the region and elsewhere, a yearly International Epilepsy School Course, which was attended by many neurologists from the Area.\n\nInternationally, Dr Mesraoua is an active and elected member of the Commission on Eastern Mediterranean Region (EMR ) , a regional branch of the International League Against Epilepsy (ILAE), where he represents the Middle East and North Africa(MENA ) and where he holds the position of chief of the Epilepsy Epidemiology Section; Dr Mesraoua is a member of the American Academy of Neurology, the Europeen Academy of Neurology and the American Epilepsy Society.\n\nDr Mesraoua's main objectives are to encourage frequent gathering of the epileptologists/neurologists from the MENA region and the rest of the world, promote Epilepsy Teaching in the MENA Region, and encourage multicenter studies involving neurologists and epileptologists in the MENA region, particularly epilepsy epidemiological studies. \n\nDr. Mesraoua is the recipient of two research Grants, as the Lead Principal Investigator (750.000 USD and 250.000 USD) from the Qatar National Research Fund (QNRF) and the Hamad Hospital Internal Research Grant (IRGC), on the following topics : “Continuous EEG Monitoring in the ICU “ and on “Alpha-lactoalbumin , proof of concept in the treatment of epilepsy” .Dr Mesraoua is a reviewer for the journal \"seizures\" (Europeen Epilepsy Journal ) as well as dove journals ; Dr Mesraoua is the author and co-author of many peer reviewed publications and four book chapters in the field of Epilepsy and Clinical Neurology",institutionString:"Weill Cornell Medical College in Qatar",institution:{name:"Weill Cornell Medical College in Qatar",country:{name:"Qatar"}}},{id:"282429",title:"Prof.",name:"Covanis",middleName:null,surname:"Athanasios",slug:"covanis-athanasios",fullName:"Covanis Athanasios",position:null,profilePictureURL:"https://mts.intechopen.com/storage/users/282429/images/system/282429.jpg",biography:null,institutionString:"Neurology-Neurophysiology Department of the Children Hospital Agia Sophia",institution:null},{id:"190980",title:"Prof.",name:"Marwa",middleName:null,surname:"Mahmoud Saleh",slug:"marwa-mahmoud-saleh",fullName:"Marwa Mahmoud Saleh",position:null,profilePictureURL:"https://mts.intechopen.com/storage/users/190980/images/system/190980.jpg",biography:"Professor Marwa Mahmoud Saleh is a doctor of medicine and currently works in the unit of Phoniatrics, Department of Otolaryngology, Ain Shams University in Cairo, Egypt. She got her doctoral degree in 1991 and her doctoral thesis was accomplished in the University of Iowa, United States. Her publications covered a multitude of topics as videokymography, cochlear implants, stuttering, and dysphagia. She has lectured Egyptian phonology for many years. Her recent research interest is joint attention in autism.",institutionString:"Ain Shams University",institution:{name:"Ain Shams University",country:{name:"Egypt"}}},{id:"259190",title:"Dr.",name:"Syed Ali Raza",middleName:null,surname:"Naqvi",slug:"syed-ali-raza-naqvi",fullName:"Syed Ali Raza Naqvi",position:null,profilePictureURL:"https://mts.intechopen.com/storage/users/259190/images/system/259190.png",biography:"Dr. Naqvi is a radioanalytical chemist and is working as an associate professor of analytical chemistry in the Department of Chemistry, Government College University, Faisalabad, Pakistan. Advance separation techniques, nuclear analytical techniques and radiopharmaceutical analysis are the main courses that he is teaching to graduate and post-graduate students. In the research area, he is focusing on the development of organic- and biomolecule-based radiopharmaceuticals for diagnosis and therapy of infectious and cancerous diseases. Under the supervision of Dr. Naqvi, three students have completed their Ph.D. degrees and 41 students have completed their MS degrees. He has completed three research projects and is currently working on 2 projects entitled “Radiolabeling of fluoroquinolone derivatives for the diagnosis of deep-seated bacterial infections” and “Radiolabeled minigastrin peptides for diagnosis and therapy of NETs”. He has published about 100 research articles in international reputed journals and 7 book chapters. Pakistan Institute of Nuclear Science & Technology (PINSTECH) Islamabad, Punjab Institute of Nuclear Medicine (PINM), Faisalabad and Institute of Nuclear Medicine and Radiology (INOR) Abbottabad are the main collaborating institutes.",institutionString:"Government College University",institution:{name:"Government College University, Faisalabad",country:{name:"Pakistan"}}},{id:"58390",title:"Dr.",name:"Gyula",middleName:null,surname:"Mozsik",slug:"gyula-mozsik",fullName:"Gyula Mozsik",position:null,profilePictureURL:"https://mts.intechopen.com/storage/users/58390/images/system/58390.png",biography:"Gyula Mózsik MD, Ph.D., ScD (med), is an emeritus professor of Medicine at the First Department of Medicine, Univesity of Pécs, Hungary. He was head of this department from 1993 to 2003. His specializations are medicine, gastroenterology, clinical pharmacology, clinical nutrition, and dietetics. His research fields are biochemical pharmacological examinations in the human gastrointestinal (GI) mucosa, mechanisms of retinoids, drugs, capsaicin-sensitive afferent nerves, and innovative pharmacological, pharmaceutical, and nutritional (dietary) research in humans. He has published about 360 peer-reviewed papers, 197 book chapters, 692 abstracts, 19 monographs, and has edited 37 books. He has given about 1120 regular and review lectures. He has organized thirty-eight national and international congresses and symposia. He is the founder of the International Conference on Ulcer Research (ICUR); International Union of Pharmacology, Gastrointestinal Section (IUPHAR-GI); Brain-Gut Society symposiums, and gastrointestinal cytoprotective symposiums. He received the Andre Robert Award from IUPHAR-GI in 2014. Fifteen of his students have been appointed as full professors in Egypt, Cuba, and Hungary.",institutionString:"University of Pécs",institution:{name:"University of Pecs",country:{name:"Hungary"}}},{id:"277367",title:"M.Sc.",name:"Daniel",middleName:"Martin",surname:"Márquez López",slug:"daniel-marquez-lopez",fullName:"Daniel Márquez López",position:null,profilePictureURL:"https://mts.intechopen.com/storage/users/277367/images/7909_n.jpg",biography:"Msc Daniel Martin Márquez López has a bachelor degree in Industrial Chemical Engineering, a Master of science degree in the same área and he is a PhD candidate for the Instituto Politécnico Nacional. His Works are realted to the Green chemistry field, biolubricants, biodiesel, transesterification reactions for biodiesel production and the manipulation of oils for therapeutic purposes.",institutionString:null,institution:{name:"Instituto Politécnico Nacional",country:{name:"Mexico"}}},{id:"196544",title:"Prof.",name:"Angel",middleName:null,surname:"Catala",slug:"angel-catala",fullName:"Angel Catala",position:null,profilePictureURL:"https://mts.intechopen.com/storage/users/196544/images/system/196544.jpg",biography:"Angel Catalá studied chemistry at Universidad Nacional de La Plata, Argentina, where he received a Ph.D. in Chemistry (Biological Branch) in 1965. From 1964 to 1974, he worked as an Assistant in Biochemistry at the School of Medicine at the same university. From 1974 to 1976, he was a fellow of the National Institutes of Health (NIH) at the University of Connecticut, Health Center, USA. From 1985 to 2004, he served as a Full Professor of Biochemistry at the Universidad Nacional de La Plata. He is a member of the National Research Council (CONICET), Argentina, and the Argentine Society for Biochemistry and Molecular Biology (SAIB). His laboratory has been interested for many years in the lipid peroxidation of biological membranes from various tissues and different species. Dr. Catalá has directed twelve doctoral theses, published more than 100 papers in peer-reviewed journals, several chapters in books, and edited twelve books. He received awards at the 40th International Conference Biochemistry of Lipids 1999 in Dijon, France. He is the winner of the Bimbo Pan-American Nutrition, Food Science and Technology Award 2006 and 2012, South America, Human Nutrition, Professional Category. In 2006, he won the Bernardo Houssay award in pharmacology, in recognition of his meritorious works of research. Dr. Catalá belongs to the editorial board of several journals including Journal of Lipids; International Review of Biophysical Chemistry; Frontiers in Membrane Physiology and Biophysics; World Journal of Experimental Medicine and Biochemistry Research International; World Journal of Biological Chemistry, Diabetes, and the Pancreas; International Journal of Chronic Diseases & Therapy; and International Journal of Nutrition. 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At the National Cancer Institute (National Institute of Health, Bethesda, MD) he worked as a research associate on the molecular biology of selenium and its role in health and disease. After postdoctoral collaborations with Carlos Gutierrez-Merino (University of Extremadura, Spain) and Dario Alessi (University of Dundee, UK), he established his own laboratory in 2008. 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Fungal infectious illness prevalence and prognosis are determined by the exposure between fungi and host, host immunological state, fungal virulence, and early and accurate diagnosis and treatment. \r\nPatients with both congenital and acquired immunodeficiency are more likely to be infected with opportunistic mycosis. Fungal infectious disease outbreaks are common during the post- disaster rebuilding era, which is characterised by high population density, migration, and poor health and medical conditions.\r\nSystemic or local fungal infection is mainly associated with the fungi directly inhaled or inoculated in the environment during the disaster. The most common fungal infection pathways are human to human (anthropophilic), animal to human (zoophilic), and environment to human (soilophile). Diseases are common as a result of widespread exposure to pathogenic fungus dispersed into the environment. \r\nFungi that are both common and emerging are intertwined. In Southeast Asia, for example, Talaromyces marneffei is an important pathogenic thermally dimorphic fungus that causes systemic mycosis. Widespread fungal infections with complicated and variable clinical manifestations, such as Candida auris infection resistant to several antifungal medicines, Covid-19 associated with Trichoderma, and terbinafine resistant dermatophytosis in India, are among the most serious disorders. \r\nInappropriate local or systemic use of glucocorticoids, as well as their immunosuppressive effects, may lead to changes in fungal infection spectrum and clinical characteristics. Hematogenous candidiasis is a worrisome issue that affects people all over the world, particularly ICU patients. CARD9 deficiency and fungal infection have been major issues in recent years. Invasive aspergillosis is associated with a significant death rate. Special attention should be given to endemic fungal infections, identification of important clinical fungal infections advanced in yeasts, filamentous fungal infections, skin mycobiome and fungal genomes, and immunity to fungal infections.\r\nIn addition, endemic fungal diseases or uncommon fungal infections caused by Mucor irregularis, dermatophytosis, Malassezia, cryptococcosis, chromoblastomycosis, coccidiosis, blastomycosis, histoplasmosis, sporotrichosis, and other fungi, should be monitored. \r\nThis topic includes the research progress on the etiology and pathogenesis of fungal infections, new methods of isolation and identification, rapid detection, drug sensitivity testing, new antifungal drugs, schemes and case series reports. It will provide significant opportunities and support for scientists, clinical doctors, mycologists, antifungal drug researchers, public health practitioners, and epidemiologists from all over the world to share new research, ideas and solutions to promote the development and progress of medical mycology.",coverUrl:"https://cdn.intechopen.com/series_topics/covers/4.jpg",keywords:"Emerging Fungal Pathogens, Invasive Infections, Epidemiology, Cell Membrane, Fungal Virulence, Diagnosis, Treatment"},{id:"5",title:"Parasitic Infectious Diseases",scope:"Parasitic diseases have evolved alongside their human hosts. In many cases, these diseases have adapted so well that they have developed efficient resilience methods in the human host and can live in the host for years. Others, particularly some blood parasites, can cause very acute diseases and are responsible for millions of deaths yearly. Many parasitic diseases are classified as neglected tropical diseases because they have received minimal funding over recent years and, in many cases, are under-reported despite the critical role they play in morbidity and mortality among human and animal hosts. The current topic, Parasitic Infectious Diseases, in the Infectious Diseases Series aims to publish studies on the systematics, epidemiology, molecular biology, genomics, pathogenesis, genetics, and clinical significance of parasitic diseases from blood borne to intestinal parasites as well as zoonotic parasites. We hope to cover all aspects of parasitic diseases to provide current and relevant research data on these very important diseases. In the current atmosphere of the Coronavirus pandemic, communities around the world, particularly those in different underdeveloped areas, are faced with the growing challenges of the high burden of parasitic diseases. At the same time, they are faced with the Covid-19 pandemic leading to what some authors have called potential syndemics that might worsen the outcome of such infections. Therefore, it is important to conduct studies that examine parasitic infections in the context of the coronavirus pandemic for the benefit of all communities to help foster more informed decisions for the betterment of human and animal health.",coverUrl:"https://cdn.intechopen.com/series_topics/covers/5.jpg",keywords:"Blood Borne Parasites, Intestinal Parasites, Protozoa, Helminths, Arthropods, Water Born Parasites, Epidemiology, Molecular Biology, Systematics, Genomics, Proteomics, Ecology"},{id:"6",title:"Viral Infectious Diseases",scope:"The Viral Infectious Diseases Book Series aims to provide a comprehensive overview of recent research trends and discoveries in various viral infectious diseases emerging around the globe. The emergence of any viral disease is hard to anticipate, which often contributes to death. A viral disease can be defined as an infectious disease that has recently appeared within a population or exists in nature with the rapid expansion of incident or geographic range. This series will focus on various crucial factors related to emerging viral infectious diseases, including epidemiology, pathogenesis, host immune response, clinical manifestations, diagnosis, treatment, and clinical recommendations for managing viral infectious diseases, highlighting the recent issues with future directions for effective therapeutic strategies.",coverUrl:"https://cdn.intechopen.com/series_topics/covers/6.jpg",keywords:"Novel Viruses, Virus Transmission, Virus Evolution, Molecular Virology, Control and Prevention, Virus-host Interaction"}],annualVolumeBook:{},thematicCollection:[],selectedSeries:null,selectedSubseries:null},seriesLanding:{item:{id:"11",title:"Biochemistry",doi:"10.5772/intechopen.72877",issn:"2632-0983",scope:"Biochemistry, the study of chemical transformations occurring within living organisms, impacts all areas of life sciences, from molecular crystallography and genetics to ecology, medicine, and population biology. Biochemistry examines macromolecules - proteins, nucleic acids, carbohydrates, and lipids – and their building blocks, structures, functions, and interactions. Much of biochemistry is devoted to enzymes, proteins that catalyze chemical reactions, enzyme structures, mechanisms of action and their roles within cells. Biochemistry also studies small signaling molecules, coenzymes, inhibitors, vitamins, and hormones, which play roles in life processes. Biochemical experimentation, besides coopting classical chemistry methods, e.g., chromatography, adopted new techniques, e.g., X-ray diffraction, electron microscopy, NMR, radioisotopes, and developed sophisticated microbial genetic tools, e.g., auxotroph mutants and their revertants, fermentation, etc. More recently, biochemistry embraced the ‘big data’ omics systems. Initial biochemical studies have been exclusively analytic: dissecting, purifying, and examining individual components of a biological system; in the apt words of Efraim Racker (1913 –1991), “Don’t waste clean thinking on dirty enzymes.” Today, however, biochemistry is becoming more agglomerative and comprehensive, setting out to integrate and describe entirely particular biological systems. The ‘big data’ metabolomics can define the complement of small molecules, e.g., in a soil or biofilm sample; proteomics can distinguish all the comprising proteins, e.g., serum; metagenomics can identify all the genes in a complex environment, e.g., the bovine rumen. This Biochemistry Series will address the current research on biomolecules and the emerging trends with great promise.",coverUrl:"https://cdn.intechopen.com/series/covers/11.jpg",latestPublicationDate:"May 15th, 2022",hasOnlineFirst:!0,numberOfOpenTopics:4,numberOfPublishedChapters:286,numberOfPublishedBooks:27,editor:{id:"31610",title:"Dr.",name:"Miroslav",middleName:null,surname:"Blumenberg",fullName:"Miroslav Blumenberg",profilePictureURL:"https://mts.intechopen.com/storage/users/31610/images/system/31610.jpg",biography:"Miroslav Blumenberg, Ph.D., was born in Subotica and received his BSc in Belgrade, Yugoslavia. He completed his Ph.D. at MIT in Organic Chemistry; he followed up his Ph.D. with two postdoctoral study periods at Stanford University. Since 1983, he has been a faculty member of the RO Perelman Department of Dermatology, NYU School of Medicine, where he is codirector of a training grant in cutaneous biology. Dr. Blumenberg’s research is focused on the epidermis, expression of keratin genes, transcription profiling, keratinocyte differentiation, inflammatory diseases and cancers, and most recently the effects of the microbiome on the skin. He has published more than 100 peer-reviewed research articles and graduated numerous Ph.D. and postdoctoral students.",institutionString:null,institution:{name:"New York University Langone Medical Center",institutionURL:null,country:{name:"United States of America"}}},subseries:[{id:"14",title:"Cell and Molecular Biology",keywords:"Omics (Transcriptomics; Proteomics; Metabolomics), Molecular Biology, Cell Biology, Signal Transduction and Regulation, Cell Growth and Differentiation, Apoptosis, Necroptosis, Ferroptosis, Autophagy, Cell Cycle, Macromolecules and Complexes, Gene Expression",scope:"The Cell and Molecular Biology topic within the IntechOpen Biochemistry Series aims to rapidly publish contributions on all aspects of cell and molecular biology, including aspects related to biochemical and genetic research (not only in humans but all living beings). We encourage the submission of manuscripts that provide novel and mechanistic insights that report significant advances in the fields. Topics include, but are not limited to: Advanced techniques of cellular and molecular biology (Molecular methodologies, imaging techniques, and bioinformatics); Biological activities at the molecular level; Biological processes of cell functions, cell division, senescence, maintenance, and cell death; Biomolecules interactions; Cancer; Cell biology; Chemical biology; Computational biology; Cytochemistry; Developmental biology; Disease mechanisms and therapeutics; DNA, and RNA metabolism; Gene functions, genetics, and genomics; Genetics; Immunology; Medical microbiology; Molecular biology; Molecular genetics; Molecular processes of cell and organelle dynamics; Neuroscience; Protein biosynthesis, degradation, and functions; Regulation of molecular interactions in a cell; Signalling networks and system biology; Structural biology; Virology and microbiology.",annualVolume:11410,isOpenForSubmission:!0,coverUrl:"https://cdn.intechopen.com/series_topics/covers/14.jpg",editor:{id:"165627",title:"Dr.",name:"Rosa María",middleName:null,surname:"Martínez-Espinosa",fullName:"Rosa María Martínez-Espinosa",profilePictureURL:"https://mts.intechopen.com/storage/users/165627/images/system/165627.jpeg",institutionString:null,institution:{name:"University of Alicante",institutionURL:null,country:{name:"Spain"}}},editorTwo:null,editorThree:null,editorialBoard:[{id:"79367",title:"Dr.",name:"Ana Isabel",middleName:null,surname:"Flores",fullName:"Ana Isabel Flores",profilePictureURL:"https://s3.us-east-1.amazonaws.com/intech-files/0030O00002bRpIOQA0/Profile_Picture_1632418099564",institutionString:null,institution:{name:"Hospital Universitario 12 De Octubre",institutionURL:null,country:{name:"Spain"}}},{id:"328234",title:"Ph.D.",name:"Christian",middleName:null,surname:"Palavecino",fullName:"Christian Palavecino",profilePictureURL:"https://s3.us-east-1.amazonaws.com/intech-files/0033Y000030DhEhQAK/Profile_Picture_1628835318625",institutionString:null,institution:{name:"Central University of Chile",institutionURL:null,country:{name:"Chile"}}},{id:"186585",title:"Dr.",name:"Francisco Javier",middleName:null,surname:"Martin-Romero",fullName:"Francisco Javier Martin-Romero",profilePictureURL:"https://s3.us-east-1.amazonaws.com/intech-files/0030O00002bSB3HQAW/Profile_Picture_1631258137641",institutionString:null,institution:{name:"University of Extremadura",institutionURL:null,country:{name:"Spain"}}}]},{id:"15",title:"Chemical Biology",keywords:"Phenolic Compounds, Essential Oils, Modification of Biomolecules, Glycobiology, Combinatorial Chemistry, Therapeutic peptides, Enzyme Inhibitors",scope:"Chemical biology spans the fields of chemistry and biology involving the application of biological and chemical molecules and techniques. In recent years, the application of chemistry to biological molecules has gained significant interest in medicinal and pharmacological studies. This topic will be devoted to understanding the interplay between biomolecules and chemical compounds, their structure and function, and their potential applications in related fields. Being a part of the biochemistry discipline, the ideas and concepts that have emerged from Chemical Biology have affected other related areas. This topic will closely deal with all emerging trends in this discipline.",annualVolume:11411,isOpenForSubmission:!0,coverUrl:"https://cdn.intechopen.com/series_topics/covers/15.jpg",editor:{id:"441442",title:"Dr.",name:"Şükrü",middleName:null,surname:"Beydemir",fullName:"Şükrü Beydemir",profilePictureURL:"https://s3.us-east-1.amazonaws.com/intech-files/0033Y00003GsUoIQAV/Profile_Picture_1634557147521",institutionString:null,institution:{name:"Anadolu University",institutionURL:null,country:{name:"Turkey"}}},editorTwo:{id:"13652",title:"Prof.",name:"Deniz",middleName:null,surname:"Ekinci",fullName:"Deniz Ekinci",profilePictureURL:"https://s3.us-east-1.amazonaws.com/intech-files/0030O00002aYLT1QAO/Profile_Picture_1634557223079",institutionString:null,institution:{name:"Ondokuz Mayıs University",institutionURL:null,country:{name:"Turkey"}}},editorThree:null,editorialBoard:[{id:"241413",title:"Dr.",name:"Azhar",middleName:null,surname:"Rasul",fullName:"Azhar Rasul",profilePictureURL:"https://s3.us-east-1.amazonaws.com/intech-files/0030O00002bRT1oQAG/Profile_Picture_1635251978933",institutionString:null,institution:{name:"Government College University, Faisalabad",institutionURL:null,country:{name:"Pakistan"}}},{id:"178316",title:"Ph.D.",name:"Sergey",middleName:null,surname:"Sedykh",fullName:"Sergey Sedykh",profilePictureURL:"https://mts.intechopen.com/storage/users/178316/images/system/178316.jfif",institutionString:null,institution:{name:"Novosibirsk State University",institutionURL:null,country:{name:"Russia"}}}]},{id:"17",title:"Metabolism",keywords:"Biomolecules Metabolism, Energy Metabolism, Metabolic Pathways, Key Metabolic Enzymes, Metabolic Adaptation",scope:"Metabolism is frequently defined in biochemistry textbooks as the overall process that allows living systems to acquire and use the free energy they need for their vital functions or the chemical processes that occur within a living organism to maintain life. Behind these definitions are hidden all the aspects of normal and pathological functioning of all processes that the topic ‘Metabolism’ will cover within the Biochemistry Series. Thus all studies on metabolism will be considered for publication.",annualVolume:11413,isOpenForSubmission:!0,coverUrl:"https://cdn.intechopen.com/series_topics/covers/17.jpg",editor:{id:"138626",title:"Dr.",name:"Yannis",middleName:null,surname:"Karamanos",fullName:"Yannis Karamanos",profilePictureURL:"https://s3.us-east-1.amazonaws.com/intech-files/0030O00002g6Jv2QAE/Profile_Picture_1629356660984",institutionString:null,institution:{name:"Artois University",institutionURL:null,country:{name:"France"}}},editorTwo:null,editorThree:null,editorialBoard:[{id:"243049",title:"Dr.",name:"Anca",middleName:null,surname:"Pantea Stoian",fullName:"Anca Pantea Stoian",profilePictureURL:"https://mts.intechopen.com/storage/users/243049/images/system/243049.jpg",institutionString:null,institution:{name:"Carol Davila University of Medicine and Pharmacy",institutionURL:null,country:{name:"Romania"}}},{id:"203824",title:"Dr.",name:"Attilio",middleName:null,surname:"Rigotti",fullName:"Attilio Rigotti",profilePictureURL:"//cdnintech.com/web/frontend/www/assets/author.svg",institutionString:null,institution:{name:"Pontifical Catholic University of Chile",institutionURL:null,country:{name:"Chile"}}},{id:"300470",title:"Dr.",name:"Yanfei (Jacob)",middleName:null,surname:"Qi",fullName:"Yanfei (Jacob) Qi",profilePictureURL:"https://mts.intechopen.com/storage/users/300470/images/system/300470.jpg",institutionString:null,institution:{name:"Centenary Institute of Cancer Medicine and Cell Biology",institutionURL:null,country:{name:"Australia"}}}]},{id:"18",title:"Proteomics",keywords:"Mono- and Two-Dimensional Gel Electrophoresis (1-and 2-DE), Liquid Chromatography (LC), Mass Spectrometry/Tandem Mass Spectrometry (MS; MS/MS), Proteins",scope:"With the recognition that the human genome cannot provide answers to the etiology of a disorder, changes in the proteins expressed by a genome became a focus in research. Thus proteomics, an area of research that detects all protein forms expressed in an organism, including splice isoforms and post-translational modifications, is more suitable than genomics for a comprehensive understanding of the biochemical processes that govern life. The most common proteomics applications are currently in the clinical field for the identification, in a variety of biological matrices, of biomarkers for diagnosis and therapeutic intervention of disorders. From the comparison of proteomic profiles of control and disease or different physiological states, which may emerge, changes in protein expression can provide new insights into the roles played by some proteins in human pathologies. Understanding how proteins function and interact with each other is another goal of proteomics that makes this approach even more intriguing. Specialized technology and expertise are required to assess the proteome of any biological sample. Currently, proteomics relies mainly on mass spectrometry (MS) combined with electrophoretic (1 or 2-DE-MS) and/or chromatographic techniques (LC-MS/MS). MS is an excellent tool that has gained popularity in proteomics because of its ability to gather a complex body of information such as cataloging protein expression, identifying protein modification sites, and defining protein interactions. The Proteomics topic aims to attract contributions on all aspects of MS-based proteomics that, by pushing the boundaries of MS capabilities, may address biological problems that have not been resolved yet.",annualVolume:11414,isOpenForSubmission:!0,coverUrl:"https://cdn.intechopen.com/series_topics/covers/18.jpg",editor:{id:"200689",title:"Prof.",name:"Paolo",middleName:null,surname:"Iadarola",fullName:"Paolo Iadarola",profilePictureURL:"https://s3.us-east-1.amazonaws.com/intech-files/0030O00002bSCl8QAG/Profile_Picture_1623568118342",institutionString:null,institution:{name:"University of Pavia",institutionURL:null,country:{name:"Italy"}}},editorTwo:{id:"201414",title:"Dr.",name:"Simona",middleName:null,surname:"Viglio",fullName:"Simona Viglio",profilePictureURL:"https://s3.us-east-1.amazonaws.com/intech-files/0030O00002bRKDHQA4/Profile_Picture_1630402531487",institutionString:null,institution:{name:"University of Pavia",institutionURL:null,country:{name:"Italy"}}},editorThree:null,editorialBoard:[{id:"72288",title:"Dr.",name:"Arli Aditya",middleName:null,surname:"Parikesit",fullName:"Arli Aditya Parikesit",profilePictureURL:"https://mts.intechopen.com/storage/users/72288/images/system/72288.jpg",institutionString:null,institution:{name:"Indonesia International Institute for Life Sciences",institutionURL:null,country:{name:"Indonesia"}}},{id:"40928",title:"Dr.",name:"Cesar",middleName:null,surname:"Lopez-Camarillo",fullName:"Cesar Lopez-Camarillo",profilePictureURL:"https://mts.intechopen.com/storage/users/40928/images/3884_n.png",institutionString:null,institution:{name:"Universidad Autónoma de la Ciudad de México",institutionURL:null,country:{name:"Mexico"}}},{id:"81926",title:"Dr.",name:"Shymaa",middleName:null,surname:"Enany",fullName:"Shymaa Enany",profilePictureURL:"https://s3.us-east-1.amazonaws.com/intech-files/0030O00002bRqB9QAK/Profile_Picture_1626163237970",institutionString:null,institution:{name:"Suez Canal University",institutionURL:null,country:{name:"Egypt"}}}]}]}},libraryRecommendation:{success:null,errors:{},institutions:[]},route:{name:"profile.detail",path:"/profiles/421262",hash:"",query:{},params:{id:"421262"},fullPath:"/profiles/421262",meta:{},from:{name:null,path:"/",hash:"",query:{},params:{},fullPath:"/",meta:{}}}},function(){var e;(e=document.currentScript||document.scripts[document.scripts.length-1]).parentNode.removeChild(e)}()