\r\n\tRadiation monitoring deals with the sampling and measurement of different products found in different radiation pathways from the environment ending with consumption in humans. Gamma-spectroscopy is the main tool for measurement of these radiations.
\r\n
\r\n\tThe aim of this book is to investigate the radionuclide concentrations in the most consumable food products, air, water and soil. Particularly, it is essential to investigate the radiations level in the surroundings of a nuclear facility.
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1. Introduction
1.1 Epidemiology
Acute hydrops is a well-known complication of progressive keratoconus. It has also been reported in other noninflammatory ectatic disorders such as pellucid marginal degeneration and keratoglobus. The incidence of acute hydrops is minimal but varies according to race. A 2011 UK census reported higher number of cases among the South Asian and Black ethnic groups, compared with that in the general population. The reported incidence rates among the white, South Asian, and black population are 0.07/100,000, 0.32 /100,000, and 0.37/100,000, respectively [1]. According to numerous studies, the trend in acute hydrops Incidence among patients with keratoconus has been shown to be decreasing; Tuft et al. and Amsler M et al. reported the prevalence of acute hydrops as 2.6% and 2.8%, respectively [2, 3]. Acute hydrops can occur at any age but is commonly reported in individuals aged between 20 and 30 years, whereas the broad age range is 10 to 47 years. It has a significant gender disparity; men are more susceptible to this condition compared with women, with a ratio of 1.2:1 according to the Auckland Keratoconus Study [4], 3:1 according to a UK prospective study [1], and 2.9:1 according to an American study [5].
2. Predisposing factors
Ocular allergy is frequently associated with keratoconus ranging from 7 to 35% [6, 7, 8, 9]. Bawazeer et al. in a case control study demonstrated a positive correlation between keratoconus and atopy [10]. Any form of ocular allergy instigates itching, foreign body sensation, and eye rubbing [11]. This triggers a corneal intrastromal inflammation because of the increased levels of histamine, tumor necrosis factor-alpha, and interleukins [12]. It coaxes to stromal lysis and corneal thinning because of the increased levels of lysosomal and proteolytic enzymes with a simultaneous reduction in the levels of protease inhibitors [12]. This vicious cycle of inflammation and stromal lysis is exacerbated by recurrent eye rubbing [13], and the stable keratoconus eventually becomes progressive which increases the risk of acute hydrops [14].
A history of having worn the contact lenses, specially the rigid gas permeable lens, is also considered an important risk factor for acute hydrops [15]. Contact lens usage triggers ocular inflammation because of hypoxia of the corneal surface [16]. A study showed that the level of inflammatory markers present in the tear film increases after the use of contact lens [17]. This inflammation initiates the progression of keratoconus that eventually leads to acute hydrops [18].
A trivial ocular trauma plays a significant role in the rupturing of already stressed-out descemet membrane (DM) [19]. Advanced keratoconus, eccentric cone, and poor visual acuity are other important risk factors for acute hydrops in patients with keratoconus. Down syndrome increases the risk of keratoconus progression, thereby increasing the risk of acute hydrops [20]. Retinitis pigmentosa, Leber Congenital Amaurosis (LCA), floppy eye lid syndrome, and Ehler-Danlos syndrome are other risk factors for progressive keratoconus, which are followed by the incident of hydrops [21, 22, 23, 24]. Pregnancy and lactation are also the critical but temporary risk factors [25]. However, a positive family history has been reported to have a negative correlation with the acute hydrops incidence [26].
3. Corneal topography and acute hydrops
Corneal topography plays a critical role in identifying patients with keratoconus progression [27]. Various parameters are available in pentacam that must be reinvestigated after every 3 month to accurately diagnose the progression; parameters, namely, maximum keratometry, minimum pachymetry, pachymetric progression index, elevation indices of corneal front and back surfaces, anterior radius of curvature taken 3 mm surrounding the thinnest pachymetry, posterior radius of curvature taken 3 mm surrounding the thinnest pachymetry, and deviation index, must be scrutinized during every visit. Any evidence of progression should be intervened to prevent or halt the deterioration to eventually decrease the risk of acute hydrops incidence [28].
4. Pathophysiology
The progression of keratoconus initiates because of stretching of the DM that is adhered strongly to the periphery, which leads to circumferential stretching of the membrane and increased risk of its rupture [29, 30]. If the stretching extends beyond a limit, the membrane tends to rupture at the center, which leads to the seepage of aqueous fluid into the stroma and thereby causes acute hydrops [31].
5. Clinical examination and manifestations
Acute hydrops initiates with a sudden onset of poor vision and discoloration of the cornea [32]. The disease is confined to the central and paracentral regions and rarely manifests in the peripheral region in case of coexistent pellucid marginal degeneration [33]. In addition to a defective vision, pain and redness are the typical symptoms of this disease [34]. The patients exhibit a definite history of persisting poor vision since childhood and experience progressive vision loss [35]. History of spectacle use should be investigated by reviewing the old optical prescriptions or old spectacles. Past history of high astigmatism, oblique axis and poor best corrected visual acuity are considered as corroborative clinical signs of acute hydrops following progressive keratoconus. Meticulous medical history of ocular allergy, atopic dermatitis, contact lens usage, eye rubbing, and ocular trauma should be documented [36]. Contact lens history, with emphasis on the type, duration of usage, overnight usage while sleeping, and expiry date of the contact lens, is also considered essential [37]. Ocular trauma history, with emphasis on the blunt trauma not withstanding its impact or severity, should also be documented (Figure 1) [38].
Examination using a diffused torchlight reveals a whitish lesion over the central or paracentral regions with intense photophobia (Figure 1). Conjunctiva shows a sign of circumciliary congestion, and palpebral conjunctiva may be congested depending upon the presence of allergic conjunctivitis. In the absence of oculi allergy, eyes are less susceptible to palpebral congestion. The iris or anterior segment is not visible in case of central hydrops but in cases of paracentral hydrops, the anterior segment is clearly visible through the clear cornea [35].
Figure 1.
Showing a case of acute hydrops.
Slit lamp examination with an oblique slit shows an abnormally thick cornea with clefts in the intrastromal area and Obscuration of Descemet Membrane (DM) due to the blockage of light rays by the edematous cornea [39, 40].
6. Grading of acute hydrops
Acute hydrops can be graded depending on the corneal region involved. Corneal edema can be graded by drawing an imaginary circle around the cornea [41].
Grade 1: Involves 3-mm diameter of cornea.
Grade 2: Between 3- and 5-mm diameter of cornea.
Grade 3: More than 5 m-diameter of cornea.
7. Investigations
Though acute hydrops is mostly diagnosed clinically, anterior segment OCT (ASOCT) can be performed to assess the severity and pattern of the resolution (Figure 2), [42]. ASOCT manifests as hypo reflective areas in the presence of fluid, hyper-reflective areas in the presence of fibrous tissues. In the early phase of corneal edema, epithelial micro cysts with pseudocysts formation in the intrastromal area are witnessed as hyporeflective areas [43]. Pseudocysts develop due to fluid accumulation in the intrastromal spaces separating the stromal lamellae because of the sudden egress of the fluid. The word “pseudocyst” was coined because the cyst wall formation does not involve epithelium. These pseudocysts are initially small in size and multiple in number but eventually they fuse to become a large cyst [44]. Sometimes, the fluid reaches the anterior stroma leading to bullous swelling of the corneal surface, referred as “epitheliocoele” in literature [45]. High-resolution ASOCT can demonstrate a breach in the continuity of the DM and stromal access to the aqueous humor [46]. ASOCT can also demonstrate a slow healing process of polygonal defects in the DM that is caused by its rupture. Healing of DM takes place slowly than that of the corneal epithelium. Hence, decrease in the size of DM defect can be witnessed after a week, and in the due course, the corneal edema which is seen as hypo-reflective/dark areas gets reduced eventually allowing the visibility of hyper-reflective shadows in the sub epithelial area marks the healing of acute hydrops [46].
Figure 2.
ASOCT showing corneal edema, clefts and cysts (courtesy-Dr.Sridevi Gunda).
Confocal microscopy is a new modality in the investigation process; though it is more useful for academic purpose, it gives an insight into the pathology of the disease [47]. Confocal microscope acts like an in vivo electron microscope; hence, the technique is termed as in vivo confocal microscopy (IVCM). It analyses the anterior and middle parts of the cornea. Bullae are seen in the superficial and wing layers of the corneal epithelium. Stromal area shows hyper-reflective band-shaped structures in the anterior stroma, and microfilms are seen in the mid and anterior stroma. Hyper-reflective cells are seen in the anterior stroma and epithelium, which are presumed to be inflammatory cells [48].
8. Complications
Acute hydrops commonly resolves spontaneously over a period of 4–8 weeks; however, it can be delayed because of large DM deficit or poor functionality of the corneal endothelial cells [49].
The risk of corneal perforation in cases of extreme penetration of fluid into the anterior stromal space is also present, which results in the formation of the epithelial bullae [50]. Any trivial trauma or ocular rubbing causes the rupture of the bullae, which may lead to shallowing of an anterior chamber and the formation of an anterior synechiae. Upon healing, it forms a dense vascularized corneal scar with extremely poor prognosis [51].
Corneal vascularization can be accentuated with a delay in the process of corneal edema reduction. Long-term cornea edema is associated with a risk of the release of vascular endothelial growth factors that induces corneal vasculogenesis from the peripheral corneal vessels, eventually leading to the formation of a vascularized corneal scar [51].
Bullous rupture of the corneal surface exposes raw stroma to the tear film and ocular commensals. Poor hygienic practices may lead to infectious keratitis [52]. Mostly bacterial keratitis has been reported; however, fungal keratitis has also been reported in the tropical countries. In developing countries such as India, the use of over-the-counter topical corticosteroids without clinical consultation is rampant that has led to the development of debilitating infectious keratitis [53].
9. Differential diagnosis
Penetrating ocular trauma may mimic acute hydrops; however, it has a recent background history of trauma and entry wound [54].
Calotropis keratitis commonly seen in the Indian subcontinent seen after accidental fall of whitish fluid while plucking the flower of the plant [55]. It may be localized or diffused and mostly presents as emergency having a perfectly normal vision before the fall. Upon slit lamp examination, a typical DM folds with the corneal edema are visible, and no breach in the continuity of DM is detected.
Post-herpetic endothelial dysfunctions are seen typically after an episode of herpetic keratitis or most likely after herpes zoster ophthalmicus. Clinically, it is seen as the localized corneal edema with pigment dusting of the endothelium and the presence of sectoral iris atrophy in case of herpes zoster [56, 57].
CMV keratitis is another rarely seen condition of the cornea that can be considered for the differential diagnosis of acute hydrops, and it typically manifests as a focal corneal edema and appears as a coin-shaped lesion [58].
Nuclear fragment retention after cataract surgery is a rare but a significant differential diagnosis, which manifests as on- and off-focal corneal edema mostly in the inferior quadrant. A careful clinical examination of an anterior segment reveals the presence of nuclear fragments and a positive history of recurrent anterior uveitis [59].
Bullous keratopathy due to Fuchs endothelial corneal dystrophy can be ruled out by seeing the other eye [60].
10. Medical management
Medical management is mostly supportive and not definitive [61]. Pressure bandages may be helpful in reducing the corneal edema; however, it increases the risk of bullous rupture with vascularized corneal scar. A study reported that the use of bandage contact lens decreases the corneal edema but increases the corneal hypoxia, which delays the process of corneal healing and causes dense scar [62]. Topical hypertonic saline (5%) eye drops are used to treat acute corneal edema to enhance dryness of the cornea, and these eye drops work by pulling the water out of the cornea thorough an osmotic pattern. Additionally, the risk of epithelial breakage is decreased, which in turn decreases the risk of secondary infection. However, the patients experience a severe burning sensation and discomfort after using the eye drop. Hence, the efficacy of these eye drops is questionable. Topical corticosteroid eye drops can be used to decrease the inflammation and improve the endothelial functioning. These may also decrease the corneal neovascularization and symptomatic ocular discomfort. However, the topical corticosteroid eye drop usage is associated with an increased risk of steroid-induced glaucoma, cataract, and infectious keratitis over the ruptured bullae. Hence, it should be used cautiously with close follow-ups [61].
11. Surgical management
Various modalities of surgical management have been mentioned in literature to augment the process of corneal healing. All the methods mentioned in literature are equally efficient, providing a favorable visual outcome and preventing the formation of the corneal vascularization.
Primary surgical intention for acute hydrops is not to restore or confer a normal vision but hasten the resolution of corneal edema which eventually leads to a non-vascularised scar improving the prognosis for corneal transplantation.
Combination of compressive sutures and intracameral gas (Figure 5)
Deep anterior lamellar keratoplasty (DALK)
Mini Descemet membrane endothelial keratoplasty (mini-DMEK)
Figure 3.
Showing resolution of corneal edema after application of compressive sutures.
Figure 4.
Complete resolution of corneal edema with clear visualization of anterior segment structures.
Figure 5.
Combination of compressive sutures with intracameral SF6 gas (Dr.Devi Aiswarya Das).
12. Intracameral gas
It is considered a treatment of choice for acute hydrops. Gas or air in an anterior chamber has 2 distinct advantages: first, it aids in the unrolling of the DM, and second, it provides compression of the DM to the swollen stroma [63, 64]. An injection of air was tried but it got absorbed in 3 days without giving enough tamponade to the DM. Hence, a nonexpansile mixture of the expansile gas with air is used to maintain the tamponade effect for a minimum period of 10 days. Sulfur hexafluoride (SF6) and perfluoropropane (C3F8) are commonly used by the corneal surgeons worldwide to produce a prolonged tamponade effect. SF6 (0.1 mL, 20%) was used by Panda et al. in their study of 9 cases that showed only marginal improvement in 3 cases and the remaining 6 cases required reintroduction of the gas twice or more for complete resolution of the corneal edema [63]. Basu et al. performed a comparative study on patients with acute hydrops [64]. One arm of the patients was treated with 14% nonexpansile perfluoropropane (C3F8), wheras the other arm was treated with conventional medical therapy. A faster resolution of the corneal edema was observed in the eyes of patients who were surgically treated, and the improvement was statistically significant. All the patients were advised to rest in a supine position for a period of 10 days to augment the tamponade effect. Histopathological studies on resolved hydrops have confirmed that DM adherence to the stroma is superior with intracameral gas compared with that without any treatment. All authors in the referred studies have recommended the continuation of conventional medical therapy of hypertonic saline eye drops, corticosteroids, and antiglaucoma drugs in the postoperative period. Nevertheless, acute hydrops treated using intracameral gas poses a high risk of pupillary block glaucoma, Urrets-Zavala syndrome, stromal cleft, and accidental seepage of air bubbles into the cornea stroma resembles a ‘fish egg’ in appearance in a slit lamp experiment. Hence, an inferior surgical iridectomy is recommended to prevent any instances of acute congestive glaucoma. Moreover, the intracameral gas should be introduced along the iris plane and in a single bubble because faulty introduction of the gas may lead to the bursting of the bubble into multiple bubbles that will nullify the tamponade effect and cause accidental damage to the corneal endothelium and seepage of the bubbles into the stroma.
13. Compressive sutures
Full-thickness corneal sutures involving the edematous part of the cornea have facilitated decrease in the corneal edema [30]. Here a 10–0 nylon suture is used to tamponade the Descemet membrane to corneal stroma. Initially a small paracentesis is created at the limbus of cornea followed by injection of intracameral pilocarpine to constrict the pupil. Viscoelastics are injected into the anterior chamber next to protect iris and crystalline lens. A 10–0 nylon suture is introduced at the junction of edematous and non-edematous cornea, the curved needle once enters the anterior chamber is taken out from the farthest end of the needle with a distance equivalent to the length of the needle and is tied over the corneal surface. The knot of a suture is buried into the cornea. Multiple sutures can be applied depending on the extent of the edema. The basic purpose of compressive sutures is not to oppose the torn DM ends but just to provide a support to the DM by bringing it near to the stroma. Once DM is opposed to the stromal endothelial cells, it starts pumping out a fluid from the stroma by active filtration and thereby helps in faster resolution of the corneal edema. Subudhi et al. demonstrated an excellent visual outcome associated with the use of compressive sutures alone in the management of acute hydrops; visual acuity of the patient improved from hand movements to 6/24 by the end of 2 months with a minimal scar at the center and no evidence of any corneal vascularization. Compressive sutures can be applied in a linear manner in case of small hydrops, but if hydrops is large enough to cover nearly all portions of the cornea, then a rectangular pattern involving all the quadrants can be applied. Pads and bandages can be given for a period of 24 hours to prevent any egress of fluid from the anterior chamber and its shallowing. Intracameral antibiotics can be given as prophylactic measures. These sutures stay for a period of 2 to 3 weeks; loosening of the sutures causes loss in the tamponade effect and should be removed in an operating room under strict aseptic precautions. Adverse effects observed are the shallow anterior chamber on Post-Operative Day 1; however, they got resolved in 24 hours without any further intervention. Nonetheless, these patients were advised to perform their routine activity after 5 days of rest. No patients were advised to have a mandatory supine position as in the treatment with intracameral gas injection.
14. Combination of intracameral gas and compressive sutures
In a view of complications associated with the single use of the intracameral gas or compressive sutures, Rajaraman and associates suggested a combination of compressive sutures and intracameral gas to incorporate the advantages of both the procedures [64]. Compressive sutures prevent the seepage of air bubbles into the intrastromal space and the intracameral gas prevents the shallowing of the anterior chamber in an immediate postoperative period following the application of the full-thickness compressive sutures.
15. Anterior chamber paracenetesis with thermokeratoplasty
In this procedure paracentesis is done to reduce the intraocular pressure so that the tension of aqueous humor over Descemet membrane is eliminated subsequently thermokeratoplasty is done to induce stromal contraction thus outward expansion of stroma due to edematous cornea is reduced. Hence eventually hastening the resolution of acute hydrops [65].
16. DALK
Anterior lamellar keratoplasty [66] in the pretext of acute hydrops is a difficult and complex procedure. Susan et al. recommended a modified DALK method for the treatment of acute hydrops. Small aliquots of air are injected into the stroma, immediately above the predescemeticdua layer and away from the site of the descemet rupture. Subsequently, a lamellar dissection with the help of a blunt crescent is performed carefully in the peripheral cornea, while avoiding the site of the DM tear initially, and then dissected at the center by slowly peeling the stroma. A donor cornea of the same size or 0.25 mm oversize is placed over the raw recipient corneal surface and anchored with the help of twelve or sixteen 10–0 nylon sutures. This averts the two-step procedure, which is normally adopted for acute hydrops, and thus, the visual rehabilitation is gained with a single procedure. However, because of edematous cornea, the risk of augmentation of the DM tear is increased and locating a correct plane for dissection becomes difficult for the surgeons. Therefore, surgeons are advised to become well-versed with anterior lamellar keratoplasty before advocating this procedure.
17. Mini-DMEK
It is another [67] procedure described in literature. Bachmann and associates described a novel technique of replacing the torn DM with a well-circumscribed donor DM. In this technique, the peripheral torn DM is trimmed and stripped up to the center of the cornea. But the crux of the matter here is that all the maneuvers are performed with an intraoperative OCT-enabled microscope. The donor DM is prepared depending on the defect and is introduced into the anterior chamber with the help of the lens cartridge. Rolled DM enters into the anterior chamber and is unrolled with the help of 2 Sinskey hooks by pressing one end and ironing the other end of corneal lenticule over the anterior corneal surface. Determination of the correct orientation of the lenticule in the anterior chamber is essential for surgeons, which is not possible with a routine microscope because the visibility of the anterior chamber remains poor. With the dense corneal edema, this procedure is highly inappropriate in the routine clinical settings. Hence, approaching through the anterior surface of cornea rather than posterior corneal surface is preferable.
18. Conclusion
Management of acute hydrops influences a long-term visual outcome. ASOCT provides a superior insight into the pathogenesis of acute hydrops. An early intervention is essential for preventing the vascularization of the corneal scar and eventually improving the prognosis of penetrating keratoplasty. Compression sutures, intra cameral gas, and a combination of both are efficient techniques described in the literature with a proven efficacy in hastening the resolution of the corneal edema. DALK and mini-DMEK are highly skillful procedures with questionable reproducibility by multiple surgeons. Prevention of acute hydrops should be a primary goal of all corneal surgeons in the future. An early identification and management of progressive keratoconus, prevention of eye rubbing, and avoidance of the professional sports may decrease the incidence of acute hydrops.
\n',keywords:"acute hydrops, keratoconus, compressive sutures, intracameral gas, ocular allergy",chapterPDFUrl:"https://cdn.intechopen.com/pdfs/74107.pdf",chapterXML:"https://mts.intechopen.com/source/xml/74107.xml",downloadPdfUrl:"/chapter/pdf-download/74107",previewPdfUrl:"/chapter/pdf-preview/74107",totalDownloads:393,totalViews:0,totalCrossrefCites:0,totalDimensionsCites:0,totalAltmetricsMentions:0,impactScore:0,impactScorePercentile:31,impactScoreQuartile:2,hasAltmetrics:0,dateSubmitted:"July 8th 2020",dateReviewed:"October 22nd 2020",datePrePublished:"November 19th 2020",datePublished:"October 6th 2021",dateFinished:"November 18th 2020",readingETA:"0",abstract:"Acute hydrops is a well-known complication of keratoconus. It usually manifests as sudden onset loss of vision. Mostly presents in the pubertal age group. Allergic conjunctivitis associated with eye rubbing is the most substantial risk factor. Primary pathology being stromal lysis, which triggers the progression of cone, causing an undue stretch on Descemet Membrane, eventually resulting in its splitting and stromal imbibition of aqueous through these ruptures. Clinical signs are circum-cillary congestion and thick/edematous cornea with obscuration of the anterior segment. Conservative therapy delays wound healing; hence early surgical intervention is recommended globally for faster resolution of stromal edema. Long-standing corneal edema mounts to corneal perforation and neovascularisation of cornea. Compressive suture, non expansile intracameral gas injection, Deep anterior lamellar keratoplasty, and mini Descemet membrane keratoplasty are various management modalities reported in literature. Acute hydrops could be well prevented with early identification of progressive keratoconus and halting its progression.",reviewType:"peer-reviewed",bibtexUrl:"/chapter/bibtex/74107",risUrl:"/chapter/ris/74107",book:{id:"10293",slug:"eyesight-and-imaging-advances-and-new-perspectives"},signatures:"Praveen Subudhi, Sweta Patro and Nageswar Rao Subudhi",authors:[{id:"268455",title:"Dr.",name:"Praveen",middleName:null,surname:"Subudhi",fullName:"Praveen Subudhi",slug:"praveen-subudhi",email:"subudhipraveen@gmail.com",position:null,profilePictureURL:"//cdnintech.com/web/frontend/www/assets/author.svg",institution:null},{id:"333545",title:"Dr.",name:"Sweta",middleName:null,surname:"Patro",fullName:"Sweta Patro",slug:"sweta-patro",email:"patrosweta@yahoo.co.in",position:null,profilePictureURL:"//cdnintech.com/web/frontend/www/assets/author.svg",institution:null},{id:"333546",title:"Prof.",name:"Nageswar Rao",middleName:null,surname:"Subudhi",fullName:"Nageswar Rao Subudhi",slug:"nageswar-rao-subudhi",email:"bnrsubudhi@gmail.com",position:null,profilePictureURL:"//cdnintech.com/web/frontend/www/assets/author.svg",institution:null}],sections:[{id:"sec_1",title:"1. Introduction",level:"1"},{id:"sec_1_2",title:"1.1 Epidemiology",level:"2"},{id:"sec_3",title:"2. Predisposing factors",level:"1"},{id:"sec_4",title:"3. Corneal topography and acute hydrops",level:"1"},{id:"sec_5",title:"4. Pathophysiology",level:"1"},{id:"sec_6",title:"5. Clinical examination and manifestations",level:"1"},{id:"sec_7",title:"6. Grading of acute hydrops",level:"1"},{id:"sec_8",title:"7. Investigations",level:"1"},{id:"sec_9",title:"8. Complications",level:"1"},{id:"sec_10",title:"9. Differential diagnosis",level:"1"},{id:"sec_11",title:"10. Medical management",level:"1"},{id:"sec_12",title:"11. Surgical management",level:"1"},{id:"sec_13",title:"12. Intracameral gas",level:"1"},{id:"sec_14",title:"13. Compressive sutures",level:"1"},{id:"sec_15",title:"14. Combination of intracameral gas and compressive sutures",level:"1"},{id:"sec_16",title:"15. Anterior chamber paracenetesis with thermokeratoplasty",level:"1"},{id:"sec_17",title:"16. DALK",level:"1"},{id:"sec_18",title:"17. Mini-DMEK",level:"1"},{id:"sec_19",title:"18. Conclusion",level:"1"}],chapterReferences:[{id:"B1",body:'Barsam A, Petrushkin H, Brennan N, et al. Acute corneal hydrops in keratoconus: a national prospective study of incidence and management. Eye (Lond). 2015; 29(4):469-474. doi:10.1038/eye.2014.333'},{id:"B2",body:'Tuft SJ, Gregory WM, Buckley RJ. Acute corneal hydrops in keratoconus. Ophthalmology. 1994;101(10):1738-1744. doi:10.1016/s0161-6420(94)31110-9'},{id:"B3",body:'AMSLER M. Bull Soc Belge Ophtalmol. 1961;129:331-354'},{id:"B4",body:'Fan Gaskin JC, Good WR, Jordan CA, Patel DV, McGhee CNj. The Auckland keratoconus study: identifying predictors of acute corneal hydrops in keratoconus. Clin Exp Optom. 2013;96(2):208-213. doi:10.1111/cxo.12048'},{id:"B5",body:'Grewal S, Laibson PR, Cohen EJ, Rapuano CJ. Acute hydrops in the corneal ectasias: associated factors and outcomes. 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Intracameral perfluoropropane gas in the treatment of acute corneal hydrops. Ophthalmology 2011;118(5):934-939'},{id:"B65",body:'Li S, Liu M, Wang Q, Wang T, Shi W. Lamellar keratoplasty following thermokeratoplasty in the treatment of acute corneal hydrops. Am J Ophthalmol. 2014 Jul;158(1):26-31.e1. doi: 10.1016/j.ajo.2014.03.011. Epub 2014 Mar 31. PMID: 24699158'},{id:"B66",body:'Jacob S, Narasimhan S, Agarwal A, Sambath J, Umamaheshwari G, Saijimol AI. Primary Modified Predescemetic Deep Anterior Lamellar Keratoplasty in Acute Corneal Hydrops. Cornea. 2018 Oct;37(10):1328-1333. doi: 10.1097/ICO.0000000000001693. PMID: 30001263'},{id:"B67",body:'Bachmann B, Händel A, Siebelmann S, Matthaei M, Cursiefen C. Mini-Descemet Membrane Endothelial Keratoplasty for the Early Treatment of Acute Corneal Hydrops in Keratoconus. Cornea. 2019 Aug;38(8):1043-1048. doi: 10.1097/ICO.0000000000002001. PMID: 31276462'}],footnotes:[],contributors:[{corresp:"yes",contributorFullName:"Praveen Subudhi",address:"subudhipraveen@gmail.com",affiliation:'
Ruby Eye Hospital, Berhampur, Ganjam, Odisha, India
Ruby Eye Hospital, Berhampur, Ganjam, Odisha, India
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1. Introduction
According to the International Energy Agency, the world utilized 109613 TWh of energy in 2014, with fossil fuels accounting for 80% of that total. The depletion of fossil fuels takes 40 years for oil, 60 years for natural gas, and 200 years for coal. The use of fossil fuels and nuclear energy directly affects the environment by emitting greenhouse gases, causing climatic changes such as global warming, which cause malaria and famine [1]. If adequately developed, these sources can diversify energy supply, while wind, biomass, and geothermal cannot fully replace fossil fuels [2]. Solar energy is unique among renewable energy sources because it delivers 711019 Kcal each year, 10,000 times more than the world consumes. Solar energy is widely used in turning sunshine into useable energy for various applications such as solar water heating, solar transportation, solar ventilation, and solar electricity [3].
Photovoltaic (PV) systems convert sunlight directly into electricity, providing a practical and straightforward option to sustain the growing energy demand. Currently, solar cell research and development focuses on (i) the maturity of silicon solar cells. However, the complex manufacturing process, high energy consumption, and high cost of classic silicon-based solar cells have slowed their progress. (ii) TFT solar cells GaAs [4]. CIGS [5], and CdTe [6] are examples of thin-film solar cells. Although thin-film solar cells are efficient and stable, gallium and indium are scarce in the crust, and cadmium is poisonous. (iii) New solar cells A new generation of solar cells include organic photovoltaics (OPV) DSSC [7] and perovskite solar cells (PSC) [4, 8, 9]. These solar cells are light and cheap. However, various issues prevent wide-scale application.
Although PSC, photoelectric conversion efficiency (PCE) has increased from 3.8 to 23.3 per cent, device stability has remained an issue limiting applications [10]. Evaporating silicon solar cells require advanced high-temperature manufacturing, high-quality silicon, and intricate energy sources. These cells are also mechanically rigid. Polymer solar cells are a low-cost alternative to silicon solar cells since they may be made by painting or printing [11]. Polymer cells are cheap, light, and flexible [12]. Since 1992, when Sariciftci et al. [13] demonstrated effective photoinduced electron transfer from polymer semiconductors to an electron acceptor, C60 polymer solar cells have gained popularity. Utilizing conducting polymers as electron donors could achieve 6–7.9% power conversion efficiency [14]. Conjugated polymers appeal to solar cell efficiency because their bandgap’s and energy levels can be tuned chemically. The discovery of new electron-donor and electron-acceptor materials has recently increased OSCs’ power conversion efficiencies (PCEs) to above 18% [15]. New materials, improved device processing methods and blend morphology [16, 17], and a better understanding of device physics [18] have contributed to OPV cell progress in the previous 30 years.
High-performance computing and optimization of computational chemistry codes have increased theoretical research in this area. Theoretical approaches are the best way to overcome practical synthesis problems and investigate cost-saving manufacturing and processing options. DFT can help solve these problems because it examines the electronic structure and spectroscopic properties of these materials. The only electronic structural approaches currently relevant to conjugated polymers have relied on density functional theory (DFT) [19, 20]. The highest occupied molecular orbital (HOMO), lowest occupied molecular orbital (LUMO), bandgap (Eg), ionization potential (IP), electron affinity (EA), charge mobility, open-circuit voltage (VOC), and reorganization energies (λ) are key electronic parameters that determine the optoelectronic properties of polymer solar materials. This chapter examines DFT’s usage and validity in polymer solar cell research. This will be followed by a description of how the DFT method looks at polymer solar cell characteristics. In addition, to describe the DFT and TD-DFT applications for polymer solar cells characteristics is also highlighted, as is DFT’s overall utility in polymer solar cell design.
2. Computational quantum methods for polymer solar cells
Computational quantum chemistry may play an essential role in the development of OPV research and technology. In addition, the results of these computations can be used as a low-cost guide for developing and improving solar materials. Overall, the field’s research can be divided into quantum science and charge transfer dynamics, new structures and creative concepts, and materials development for various applications. Understanding the functioning mechanism of polymer solar cells is the primary focus of the study. The main point of contention is how the bonded electron–hole pair breaks. The “hot exciton effect” is the most frequently recognized answer to this subject. When an electron is absorbed by one semiconductor material from another, it brings energy differences, causing the electron to get heated and acquire velocity, allowing it to escape from the confined exciton state. Even though this idea has recently gained widespread acceptance, numerous investigations have cast doubt on its validity [21].
These methods are now being used to predict component excited-state properties in light-harvesting systems. Nonetheless, this is a difficult task. Furthermore, large systems pose a significant challenge to conventional quantum chemistry techniques for excited states. Thus, calculations and theoretical models are beneficial when used in conjunction with CT experiments. Optical absorption investigations can measure exciton binding energies. Electrochemistry can be used to assess OPV components’ oxidation and reduction potentials, as well as their HOMO–LUMO gaps [22]. The charge transfer and recombination kinetics can be studied using femtosecond transient absorption and time-resolved emission measurements [22]. These studies rely on well-established electron and energy transmission [23, 24] and their thermodynamic and kinetic consequences [25].
In polymer solar cells, computational quantum theories such as density functional theory (DFT) are used. TD-DFT is the essential instrument in the quantum mechanical simulation of quantum chemistry for computing excited-state characteristics and charge-transfer (CT) excitations in large systems [26]. TD-DFT can extract excitation energies, frequency-dependent response qualities, and photo-absorption spectra from molecules and materials. There are several hurdles to implementing TD-DFT computations on photovoltaic systems. Assumptions in these applications can cause catastrophic modeling errors. Many hypotheses and refinements to this basic technique have been proposed [27].
Density Functional Theory (DFT) investigates the electronic structure (principally the ground state) of many-body systems, such as atoms, molecules, and condensed phases. A many-electron system’s properties can be determined using functionals, i.e. function of another function. Inorganic photovoltaic properties such as bandgap, optical absorption, intra-molecular and inter-molecular charge transfer, exciton binding energy, charge transfer integral, reorganization energy and rate of charge transfer and recombination in donor-acceptor complexes can be calculated or developed using DFT based computational methods. In practice, the effects of organic photovoltaic media on these qualities should be considered. Although the impact of the medium varies depending on the transitions involved, polarization continuum solvation models may commonly be used to account for solvation at a low computational cost [28].
The Schrödinger equation, which explains the behavior of electrons in a system, is reformulated in density functional theory (DFT) so that approximate solutions are tractable for functional materials. Hohenberg and Kohn [29] proposed the idea in 1964, claiming that all ground-state features may be expressed as an operative of the charge density that must be reduced in energy. However, rather than tackling the Schrödinger Equation [30] head-on, these theorems showed that an initial guess of the charge density might be improved iteratively.
Hohenberg, Kohn, and Sham created such a theory in density functional theory (DFT) [31], leading to two of the top ten most preferred articles of all time6 and for which Kohn received the Nobel Prize in Chemistry in 1999. The Schrödinger equation’s ground-state solutions are restated in DFT to find energy as a charge density function.
The exchange-correlation functional chosen determines the precision of the DFT calculation. Although theorists may frequently improve computation accuracy by employing more intricate functionals (at a higher processing cost), there are some highly coupled electron systems that most functionals fail. Other disadvantages of traditional DFT include the small system size, the difficulty of modeling weak (van der Waals) interactions, dynamics over long periods, and non-ground state characteristics (finite temperatures or excited conditions). Larger systems can be tackled with the linear scaling approach [32], finite-temperature effects can be addressed with lattice dynamics [33] and cluster expansion [34], electronic excitations can be modeled with time-dependent DFT [35], the GW method [36], and the Bethe–Saltpeter [37], and several approaches can be used to overcome these limitations. In his assessment, Carter [38] gives a quick outline of some of these options. A DFT calculation requires the coordinates and orientations of the atoms in the material within a repeating lattice, the exchange-correlation functional, parameters and algorithms for numerical and iterative convergence, and, optionally, a method for more efficiently treating the system’s core electrons (for example, through the use of pseudopotentials). DFT generates the electronic charge density, total energy, magnetic configuration, and electronic band structure.
3. DFT methods in polymer solar cells
The density-functional theory (DFT) has proven massively popular among the massive panel of current theoretical techniques. This success is mainly because no changeable inputs parameters are required, efficient numerical codes exist, and a high level of adaptability, particularly in representing semiconductor and metal ground state features. The ability of DFT approaches to handle larger systems has grown as computing power has increased. However, the present limit does not yet reach the 10000–10 million atom window involved in the active device region of PV cells. Modern semiconductor optoelectronic devices, such as quantum wells [39] and quantum dots [40], have features with a feature size of a few nanometers. Such systems are composed of various materials and alloys’ complex two-dimensional (2D) and three-dimensional (3D) geometries. Nonetheless, DFT approaches can be used to get insight into the physical phenomena of individual device components, such as particular materials or tiny heterostructures. Quantitative PV design, for example, necessitates a valid prediction of electronic bandgap’s band-lineups and effective masses.
DFT based on the local density approximation (LDA) [41] or the generalized gradient approximation (GGA) [42] is well recognized for failing to replicate the excited states of molecules adequately. Hybrid approaches that contain a fraction of Hartree-Fock exchange, on the other hand, may be able to avoid the band-gap problem, but their results are highly dependent on the material of interest. Even while Heyd et al. [43]. HSE06 hybrid functional is a good option for computing band gaps, band offsets, or alloy characteristics [44]. It fails to simulate the direct–indirect crossover in GaAsP alloys [45]. Many-body perturbation theory (MBPT) can also provide factual findings, mainly when using the GW technique (GW, where G stands for Green’s function and W for the screened potential), which can be utilized in a perturbative scheme [46] or self-consistently [47]. The ionization potential and electron affinity of the donor and acceptor materials, respectively, are essential parameters for charge separation because they determine the relative alignment of electron and hole levels. DFT inside a super-lattice (SL) approximation can be used to estimate the drop of the interface’s potential in heterostructures, resulting in a reasonable estimate of the band-lineup. The DFT potential drop at the interface can be quickly compensated by the GW eigenvalues derived for the bulk valence band states [48], but a GW treatment for a complicated stack is out of reach.
In DFT simulation, a reasonable estimation of alloy electrical characteristics is likewise a difficult task. Indeed, even typical semiconductors experience significant band-gap bowing; that is, the band-gap energy follows:
Egx=E¯gx−b.x.1−xE1
Where b is a parameter for bowing, super-cell techniques are better than virtual crystal approximations for statistically random alloys. However, DFT with specific quasi-random structures (SQS) (small super-cells) that recreate mixing enthalpies and atomic correlations of extremely large super-cells can provide identical results for specific alloy compositions. Chemical mixing, strain, and atomic relaxation effects are all included in SQS models.
Furthermore, semiempirical approaches for studying mechanical or electronic properties, such as the valence force field (VFF) and the tight-binding approximation [49] or elasticity and the K.P method [50], require precise electronic parameters as input. They can be calculated using DFT or discovered through experiments. For example, the density functional perturbation theory (DFPT) [51] is used to get quantitative estimates of electromechanical tensors of bulk materials. When just by-products of a first-order perturbation computation are required, an efficient application of the “2n + 1” theorem yields second-and third-order derivatives of the total energy, provided that atomic-displacement variables are removed. Various physical responses of insulating crystals, such as elastic constants, linear piezoelectric tensors, and linear dielectric susceptibility, as well as tensor properties related to internal atomic displacements like Born charges and phonons, can be obtained using second-order derivatives [51]. Interference techniques and symmetry analysis must be used in conjunction with the DFPT method for third-order components linked to physical qualities such as nonlinear electrical susceptibilities, nonlinear elasticity, or photoelastic and electrostrictive effects [52].
4. TD-DFT methods in polymer solar cells
TD-DFT has become the workhorse of quantum chemistry for computing excited-state characteristics and charge-transfer excitations in complex networks [53]. Linear and non-linear simulations may be popular due to their scalability and variety of methodologies. However, photovoltaic TD-DFT computations pose significant problems, notably with long-range CT interactions. Furthermore, although standard computer programs make TD-DFT easy to use, it is not a “black box” technique since approximations utilized in TD-DFT tools can occasionally produce major systemic mistakes in estimated results.
Making correct CT excitation energies with TD-DFT is problematic because approximate exchange-correlation (XC) potentials lack the unique features of exact Kohn–Sham (KS) potentials [54]. Thus, a non-local, exact-exchange contribution throughout the exchange-correlation kernel solves the charge-transfer problem in TD-DFT.
Many hybrid functionals (HF) have recently performed well in benchmark tests [55]. For example, Zhao and Truhlar created a functional (M06-2X) that contains the complete non-local exact-exchange contribution [56]. Prior studies investigated comprehensive adjustments for non-hybrid local adiabatic XC potentials targeting the CT problem utilizing constraint variational density functional. According to Ziegler et al. [57], the linear response approach produces qualitative variances between the time-dependent Hartree-Fock (TD-HF) and adiabatic local potential-based TD-DFT excitation energies and also between the TD-DFT and SCF excitation energies. In the variational approach, the mix of occupied and empty orbitals is allowed above linear terms to determine transition densities. However, the recent surge of activity in the field gives reason for optimism.
Constrained DFT (CDFT) [58] is an alternative technique that uses a variational constraint approach to alleviate TD-DFT’s drawbacks. To handle charge- and spin-constrained electronic states within the ground state KS DFT technique [59], CDFT was created. Implementation is computational. CDFT has been proven to be useful for long-range electron transmission [60, 61, 62]. While TD-DFT’s thrilled states (valence states) are inaccessible to CDFT, many of TD-DFT’s bothersome excited states are dealt with naturally in CDFT.
CDFT can be used in systems where the ground-state electron density must meet a threshold. The localization of electronic density in space indeed reduces the variation in electron number between donor and acceptor areas by two. To enforce the constraint, Lagrange multipliers are used in CDFT. To counteract self-interaction mistakes caused by approximation XC functionals, CDFT uses semi-local functionals that are denser than the density. It defines diabatic states for electron transfer kinetics and chemical reaction rates. Using a ground state DFT functional, these limitations can also compute long-range charge transfer and low-lying spin states [61, 62].
However, this paradigm has several drawbacks. In CDFT, the electron density is partitioned by nuclear populations, affecting the constraint potential’s shape. So the exact electron density partitioning is unknown. As a result, CDFT can only represent a subset of electronic excitations. Therefore, CDFT may not be the best method for simulating some diabatic circumstances. Also, a time-dependent optimal potential treatment of exact exchange can help describe charge-transfer excitations [63]. However, the exchange potential is too local to correctly predict the bandgap (i.e. HOMO–LUMO gap). Semi-quantitative hybrid functionals can forecast band gaps better than orbital dependent functionals. They use correlations to communicate precisely. Somewhat of focusing on density, we can improve approximation solution XC functionals in orbitals. They can also compensate for imperfections in self-interaction, and exchange energy is naturally stated in orbitals.
Dispersion correction to KS-DFT is widely employed to handle long-range electron correlations that cause dispersion forces [64, 65]. Unfortunately, local DFT functionals overestimate dispersion forces, whereas non-local and hybrid DFT functionals underestimate them [64, 65]. Developing DFT functionals optimized for improved management of Vander Waals interactions, on the other hand, appears promising. The Vander Waals density functional (vdW-DF) [65] techniques successfully cope with London dispersion interactions. Modern dispersion-corrected DFT methods include empirical components because they function best for long-range interactions. However, standard density functionals perform well for close interactions. So any dispersion-correction method using DFT has to integrate the short and long-range asymptotic areas, which are both well understood individually.
The most widely used non-empirical method for determining dispersion energy for molecular systems is the vdW-DF approach [66]. Due to the charge transfer reliance of dispersion being incorporated via electron density, this technique naturally accommodates it. Regular adjustments also alter thickness. Despite its mathematical complexity, this approach can achieve a smooth transition between chemical binding at small distances and Vander Waals attraction at long distances.
The KS inherent DFT defect is the KS-dispersion DFT term. Adding damped inter-atomic potentials of the kind C6R6 to the KS-DFT energy appears to be another successful empirical way of accounting for dispersion [64]. This approach is substantially faster to calculate, has high numerical stability, and provides physical insight. Despite its semi-classical origin, it can supplement standard density functionals in treating long-range electron correlation. In addition, estimating supramolecular complex binding energies has been proved to be easier with this strategy.
5. Application to DFT and TD-DFT methods in polymer solar cells
Many properties of interest in OPVs can be calculated or developed using DFT based computational methods, including bandgap, optical absorption, intramolecular and intermolecular charge transfer, exciton binding energy, charge transfer integral (to quantify electronic coupling), reorganization energy, and the rate of charge transfer and recombination in D–A compositors. In addition, in natural systems, the effects of the surrounding OPV media on these properties should be addressed. Although the impact of the medium varies depending on its nature and the nature of the transitions involved, low-cost polarization continuum solvation models can be utilized to account for solvation. In such situations, the solvent is treated as a continuous with a static dielectric constant, polarizing and polarized by the solute.
The following is a discussion of the theoretical methodologies and computational techniques mentioned above to foster a greater understanding of the connection between chemical structures and the optical and electrical properties of D–A systems about the rational design of OPV devices.
5.1 Bandgap engineering
A range of experimentally observed methods utilized may or may not indicate appreciable quantities in diverse contexts. Band gaps (see infra) are essential features to consider when evaluating conducting polymers. Controlling band gaps can improve the electroluminescence of OLEDs or the light absorption efficiency of photovoltaic cells [67]. To make organic polymers with good nonlinear optical response [67] or semiconductors having high electrical conductivity [68], materials with tiny band gaps are sought.
The phrase “bandgap” has multiple meanings. An infinite periodic system’s electrical structure is called a “band.” Also examined are monomers of conjugated polymers and oligomers of various sizes. The term bandgap also refers to a finite method feature that converges to the infinite periodic (band-structure) limit with oligomer size. The “gap” is the difference in electronic energy levels. Such as the energy difference between the highest occupied molecular orbital (HOMO) and the lowest unoccupied one, or computed energy gaps MO or CO (LUMO) [69]. Lowest optically permissible electronic excitation energy A visible energy gap (also known as an adiabatic or vertical optical gap) is an EO. Also, adiabatic or vertical electron attachment/detachment has associated energies like electron affinity (EA), ionization potential (IP) and electronegativity (EF) = IP-EA. Orbital energies and eigenvalues in KS DFT and HF may or may not be visible. However, approximations in actual computations might lead to big mistakes (see below). Furthermore, an orbital energy gap cannot reflect both EO and EF. Although the interpretation of the orbital energy gap as the fundamental gap is accurate in principle, the multiple approximations in the functionals make this interpretation useless in practice.
Band gaps often exhibit a roughly linear dependence on 1/m, allowing extrapolation to m → ∞, 1/m → 0. Generally, the quality of calculated results for different properties strongly relies on the physical models employed [70]. Extrapolating the infinite-periodic limit from a sequence of oligomer simulations requires prudence. Band gaps can diverge from linearity in 1/m [71]. These can also compute band gaps for polymers with unlimited chain lengths. PBCs have the advantage of not requiring further computations or extrapolation. However, PBC quantum chemistry algorithms are less functional than their molecular counterparts, which is a disadvantage.
The cheap computational cost of DFT and TD-DFT allows for the study of large systems. In contrast, the most commonly used functionals for molecules, such as generalized gradient approximations (GGA) and global hybrid GGA functionals, result in the incorrect asymptotic behavior of a potential, significant delocalization errors, and lack of derivative discontinuity, all of which negatively impact o They showed that the band gaps computed with different hybrid functionals differ significantly, indicating that present hybrid functionals do not yield proper band gaps [72, 73, 74]. The link between projected orbital energy gaps and measured band gaps absorption energies is also poor for nonhybrid density functionals. Therefore, typical hybrid and meta-hybrid functionals are not acceptable for assessing the performance of organic photovoltaics, according to Savoie et al. Other hybrid functional analyses found striking agreement with measured optical gaps [75]. Many studies suggest that DFT and TD-DFT have limited predictive potential in this critical field [74]. Using hybrid functionals to integrate eX solves some of the DFT difficulties in extended systems [76]. However, estimated transfer integrals in organic semiconductors are sensitive to eX fraction [77].
5.2 Intramolecular and intermolecular charge transfer
To explain the transport properties, the charge transfer rate between donor and acceptor moieties could be calculated. Using DFT calculations of the electronic coupling, reorganization energy, and free energy difference associated with one electron transfer from donor to acceptor at the high-temperature limit, we can determine a rate using Marcus’s formula [78, 79]. These predictions are then discussed in light of DFT’s intrinsic flaws, such as overestimation of actual ground state energy, failure of the basis set to represent the system, and the inability of the functional to approximate critical interactions, to name a few. When it comes to charge transfer, however, there is another problem that is often overlooked.
A system where an extra account is localized on a single molecular unit is impossible to simulate using conventional DFT. As a result, calculations are frequently performed first on the charge donor, then on the charge acceptor, with or without the charge transferred. The overall energy of the system is calculated by adding the energies of the individual components. This is true when a considerable distance separates the donor and acceptor, and the electron density distribution of one entity has no effect on the electron density distribution of the other [79]. The size of the organizations participating in the charge transfer and the quantity and location of the surplus charge should naturally establish this limit. More sophisticated (and consequently more expensive) techniques, such as charge-constrained DFT [80], have been proposed for situations where this limit can never be achieved, such as intramolecular charge transfer [79]. However, standard ground state DFT remains the approach of choice for intermolecular charge transfer in solar cells, which usually involves larger molecular assemblies.
5.3 Extion binding energy
Exciton binding energy (Eb) is an essential element in polymer electronics and fundamental polymer physics, and it has been a source of debate for a long time. For example, a big Eb is required for a light-emitting polymer so that charge recombination takes precedence. Both the semiempirical model study [81] and the DFT/LDA Bethe–Salpeter equation (BSE) or GW approaches [82] have relied heavily on theoretical research of Eb of conjugated polymers. The semiempirical model can be addressed nearly precisely for the electron correlation, but the results depend highly on the parameters, even though a qualitative comprehension has been reached [81].
Although the BSE or GW approach is first-principles, it is unclear if the Hohenberg–Kohn–Sham framework might accommodate these many-body adjustments at the Green’s function level.
Furthermore, the final results differ from one another [82]. We highlight two recent advances in quantum chemistry: (i) Time-Dependent Density Functional Theory (TD-DFT) and its successful application to the lowest-lying excited states [83], and (ii) the hybrid GGA Becke three-parameter Lee–Yang–Parr (B3LYP) functional for the quantitative prediction of chemical and electronic structures [82]. In examining the excitation processes in conjugated systems, the combination of the two has proven quite effective [84]. Tretiak et al. [85] demonstrated that hybrid density functionals might simulate excitonic phenomena and provide satisfactory Eb findings. Pure local spin density approximation (LSDA), generalized gradient approximation (GGA, such as BLYP, BP86, BPBE, PBEPBE, BPW91), meta-GGA (such as PBEKCIS), and hybrid density functionals (H-GGA, such as O3LYP, B3LYP, B972, PBE1PBE) are used to optimize the ground-state geometries of the molecules at the DFT level.
5.4 Electron transfer parameters
The ET parameters are now frequently calculated using ab initio quantum chemistry methods. In classical Marcus theory [86], two critical parameters determine the temperature-dependent kinetics of electron transfer: the driving force and the reorganization energy. The activation energy, G#, is calculated as follows:
ΔG#=λ+ΔG04λE2
which then can be used in the Arrhenius relationship for the rate constant
kET=AexpΔG#kBTE3
The Boltzmann constant is denoted by kB. Note that Eq. (3) is essentially classical, and when quantum effects are relevant, the temperature dependence of Eq. (3) breaks down [87].
Although free energies will be used in natural systems, ab initio calculations usually overlook entropy changes and instead use potential energy. When the reactant and product structures are known, G° may readily determine the difference between respective equilibrium energies. However, calculating is more complicated since it involves nonequilibrium energy.
Abs Initio algorithms have difficulties determining since it is not a ground-state attribute. In the adiabatic representation, the ground state potential energy curve is lower than the excited state potential energy curve. To compute, one must first know the energy of the product state at the reactant state’s equilibrium structure. Excited-state energies are more difficult to calculate than ground-state energies. TD-DFT methods provide good excited-state energies (e.g., up to 100 atoms). The energy of long-range CT states in TD-DFT is underestimated [88, 89], limiting its use in ET reactions.
In ET research, constrained DFT has various advantages. For starters, restricted DFT makes accessing diabatic states and calculating Marcus parameters a breeze. Second, from ground-state computations, constrained DFT generates diabatic conditions. Excited-state calculations are avoided. Third, the equilibrium structures of the reactant and product states are obtained by optimizing constrained geometry. Third, the quality of diabatic potential energy curves from limited DFT is superior to adiabatic curves from DFT to optimize in adiabatic conditions because fractional charge systems are more susceptible to self-interaction errors [90]. Fourth, the localization of an unpaired electron is forced via constrained DFT. As a result, restricted DFT energy values are more precise. Limited DFT cannot be used for ET reactions involving a locally excited state as a ground-state approach. To investigate such responses, TD-DFT and limited DFT could be utilized. Our method, in particular, is before the electron source and acceptor. In systems in which the donor and acceptor are not separated, this can be a problem. As a result, our method is now the most effective for long-range ET responses, which is why it was created.
The coupling constant should be computed to obtain correct adiabatic energies from diabatic ones, making limited DFT more useful. In the adiabatic representation, the two curves create an upper and lower curve, with the energy gap at qc being twice the electronic coupling constant Hab, which is a significant coupling constant in nonadiabatic dynamics. DFT overestimates Hab, which could lead to erroneous RobinDay class III compound assignment. The limited DFT methodology for calculating high-quality diabatic energies could also be used to forecast exact Hab values. One of the difficulties is that constrained DFT techniques do not provide the proper wave function. Hab is the union of two independent wave functions with no equivalent in static density-dependent observables. As a result, some estimates are required to extract Hab from constrained DFT. We are now doing an active study on this topic, and the results will be released soon. Hab can also be employed with restricted DFT to study the issue of degenerate charge transfer states. It can also tackle problems similar to those that the restricted open-shell Kohn-Sham approach can solve [45].
5.5 Scharber’s model-electronic properties
They are using density functional theory and Scharber’s model to forecast the power conversion efficiency of organic solar cells. The scientific community has long sought improved polymers with excellent power conversion efficiency. Because polymer synthesis and device production take time, a guide would help find the best polymers. They published a simple model in 2006 that outlines how to estimate the power conversion efficiency of bulk heterojunction solar cells, and they claimed that these devices could attain 10% power conversion efficiencies. To evaluate a polymer’s photovoltaic potential, Scharber’s model requires knowledge about energy levels. Commonly, cyclic voltammetry is used to obtain these energy levels after polymer production. Modern theoretical tools like density functional theory come into use. These technologies can theoretically predict polymer properties before they are made.
The DFT has been extensively used to develop, explain, and predict the features of present and future organic solar cells [91]. Even though the model predicts certain qualities like open-circuit voltage (VOC) and short-circuit current density (JSC), one may wonder if the model estimates some attributes more precisely than others when combined with density functional theory. The dependability of theoretical computations is critical for understanding and predicting device attributes. There have been extensive research on oligomers [92] and crystals [93], but few comparisons of computations on polymers with experimental evidence. These highest values for power conversion efficiency can be derived by integrating density functional theory determined attributes with Sharber’s model.
5.5.1 Scharber’s model
This is equivalent to the maximum power density output of the device divided by the total power density receiving from the Air Mass 1.5 solar spectrum [94], which is 1000 W/m2. The device’s power density comprises the open-circuit voltage, short-circuit current density, and fill factor (FF). According to Scharber’s model, the VOC is connected to the difference between the acceptor’s LUMO and the donor’s HOMO. The VOC is obtained by subtracting 0.3 eV from the energy level difference. This shift was discovered empirically and is linked to residual carrier binding energy and interface effects [95]. An integral of external quantum efficiency (EQE) multiplied by the number of photons from the Air Mass 1.5 sun spectrum at all frequencies. For energies below and above the donor’s optical band gap (Eopt), the EQE is just a step function with a value of 0%. The fill factor is FF = 0.65 for all devices. Other EQE and FF assumptions can be made if desired. For example, the EQE could be determined by investigating the Kohn-Sham joint density of states, revealing the frequency-dependent absorption cross-section behavior. In this situation, the polymer layer is thick enough to absorb any photon over the optical band gap, and the film shape essentially limits the EQE. The following equations describe Scharber’s mode.
PCE=VOCJSCFF1000W/m2E4
LUMOdonor>LUMOacceptor+0.3eVE5
eVOC=LUMOacceptor−LUMOdonorE6
Eopt=LUMOdonor−HOMOdonorE7
EQEω=0.65×Θℏω−EoptE8
JSC=∫EQEω×#photonsAirMass1.5ωdωE9
As seen in Eq. (5), this model implies a 0.3 eV energy difference between the donor and acceptor Lumos to enable effective charge transfer. This LUMO offset should not be confused with the 0.3 eV empirical shifts for Eq. (6). So Eopt = 0.6 eV is the maximum value for eVOC.
5.6 Photoabsorption spectrum
Time-dependent DFT has surpassed all other methods for calculating organic compounds’ excitation energies and optical characteristics in the last decade. Visual features like absorption spectra and optical band gap can be used to validate structures further. To better understand the electronic transitions of polymer monomers, used TD-DFT/CAMB3LYP/with varied basis set levels to perform quantum calculations on electronic absorption spectra in the gaseous phase and solvent. Aside from the bandgap, the computational prediction of whole spectrum excitation energies and cross-sections above the bandgap is equally crucial to solar cell efficiency. The excited electron tends to decay toward the conduction level (or the LUMO level) before being injected into the anode due to vibronic (molecular dyes) or photonic (solid dyes) contact with the environment, resulting in thermalization loss of the cell efficiency. The choice of time-dependent TD-DFT can be critical in accurately reproducing absorption, especially when using donor-acceptor dyes with charge-transfer excitations, as in the current study, where range corrected functionals become a viable option. The band maximum (λmax) is an apparent essential feature of the absorption spectra.
These are significant for optical properties of polymers in polymer solar cell applications, ranging from TD-DFT methodologies to predicted absorption wavelengths (λmax), oscillator strengths (f), and vertical excitation energies (E).
6. Concluding remarks
New materials have emerged as an appealing and profitable replacement to inorganic semiconductors due to the desire to manufacture more cost-effective electronic devices using simple manufacturing processes. Organic materials, such as conjugated polymers, tiny organic molecules, and self-assembling organic semiconductors, have recently piqued interest due to their ability to fabricate flexible, light-weight, semi-transparent, and large-area devices. As a result, DFT based computational computations have become a valuable method for investigating materials in OSC research. The relevance of DFT calculations in the knowledge of the structure-properties relationship in the design of new polymer solar cells has been highlighted in this paper. Furthermore, we discovered that DFT’s improved power in understanding and forecasting features of polymer solar cells is caused by increased computational capacity and the emergence of robust and diverse computational methodologies. We have explored how theoretical calculations based on the KohnSham energy levels of density functional theory combined with Scharber’s model can be utilized to locate viable photovoltaic polymers in this paper.
Within the generalized Kohn–Sham formalism that offered proper excitation energies, density functional theory and its time-dependent extensions made substantial progress along the range separated hybrid functionals. DFT has been effectively used to explain and predict molecular geometries, electronic structure, frontier molecular orbital (FMO) energy levels, absorption spectra, and intramolecular charge transfer for known conjugated organic compounds (ICT). These characteristics significantly impact the open-circuit voltage (VOC), short-circuit current (JSC), charge separation at the donor/acceptor interface, and solar photon absorption.
\n',keywords:"DFT, TD-DFT methods, Polymer solar cells, electrical and optical properties",chapterPDFUrl:"https://cdn.intechopen.com/pdfs/78743.pdf",chapterXML:"https://mts.intechopen.com/source/xml/78743.xml",downloadPdfUrl:"/chapter/pdf-download/78743",previewPdfUrl:"/chapter/pdf-preview/78743",totalDownloads:125,totalViews:0,totalCrossrefCites:0,dateSubmitted:"August 24th 2021",dateReviewed:"August 26th 2021",datePrePublished:"October 25th 2021",datePublished:"May 18th 2022",dateFinished:"September 24th 2021",readingETA:"0",abstract:"DFT and time-dependant DFT (TD-DFT) quantum chemical calculations have become helpful for qualitative and quantitative analyses of materials at the molecular level. In this paper, we will attempt to outline successes and opportunities associated with the use of DFT and TD-DFT in OSC research. Density functional theory (DFT) has evolved as a QM method that is both rigorous and efficient enough to be employed in photovoltaic solar cell challenges in the last ten years. DFT is a prominent method for precisely and efficiently calculating molecular systems’ electrical and optical characteristics at a low computational cost. The possible uses of DFT to polymer solar cells were comprehensively examined in this article. First, the foundations of DFT are examined. Following that, the precision of DFT for studying photovoltaic properties particular to polymer solar cell design is highlighted. Next, this chapter looks at how DFT is used in polymer solar cell research and its accuracy. Following that, a discussion of how DFT works and how it can investigate polymer solar cell features will be given.",reviewType:"peer-reviewed",bibtexUrl:"/chapter/bibtex/78743",risUrl:"/chapter/ris/78743",signatures:"Numbury Surendra Babu",book:{id:"11001",type:"book",title:"Density Functional Theory",subtitle:"Recent Advances, New Perspectives and Applications",fullTitle:"Density Functional Theory - Recent Advances, New Perspectives and Applications",slug:"density-functional-theory-recent-advances-new-perspectives-and-applications",publishedDate:"May 18th 2022",bookSignature:"Daniel Glossman-Mitnik",coverURL:"https://cdn.intechopen.com/books/images_new/11001.jpg",licenceType:"CC BY 3.0",editedByType:"Edited by",isbn:"978-1-83969-846-0",printIsbn:"978-1-83969-845-3",pdfIsbn:"978-1-83969-847-7",isAvailableForWebshopOrdering:!0,editors:[{id:"198499",title:"Dr.",name:"Daniel",middleName:null,surname:"Glossman-Mitnik",slug:"daniel-glossman-mitnik",fullName:"Daniel Glossman-Mitnik"}],productType:{id:"1",title:"Edited Volume",chapterContentType:"chapter",authoredCaption:"Edited by"}},authors:[{id:"420950",title:"Prof.",name:"Numbury",middleName:null,surname:"surendra babu",fullName:"Numbury surendra babu",slug:"numbury-surendra-babu",email:"nsbabusk@gmail.com",position:null,profilePictureURL:"//cdnintech.com/web/frontend/www/assets/author.svg",institution:null}],sections:[{id:"sec_1",title:"1. Introduction",level:"1"},{id:"sec_2",title:"2. Computational quantum methods for polymer solar cells",level:"1"},{id:"sec_3",title:"3. DFT methods in polymer solar cells",level:"1"},{id:"sec_4",title:"4. TD-DFT methods in polymer solar cells",level:"1"},{id:"sec_5",title:"5. Application to DFT and TD-DFT methods in polymer solar cells",level:"1"},{id:"sec_5_2",title:"5.1 Bandgap engineering",level:"2"},{id:"sec_6_2",title:"5.2 Intramolecular and intermolecular charge transfer",level:"2"},{id:"sec_7_2",title:"5.3 Extion binding energy",level:"2"},{id:"sec_8_2",title:"5.4 Electron transfer parameters",level:"2"},{id:"sec_9_2",title:"5.5 Scharber’s model-electronic properties",level:"2"},{id:"sec_9_3",title:"5.5.1 Scharber’s model",level:"3"},{id:"sec_11_2",title:"5.6 Photoabsorption spectrum",level:"2"},{id:"sec_13",title:"6. Concluding remarks",level:"1"}],chapterReferences:[{id:"B1",body:'Sovacool BK. National context drives concerns. 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On the calculation of charge transfer transitions with standard density functionals using constrained variational density functional theory. J Chem Phys. 2010;133(7):074104-074111.'},{id:"B58",body:'Kaduk B, Kowalczyk T, Van Voorhis T. Constrained density functionaltheory. Chem Rev. 2012;112(1):321-370.'},{id:"B59",body:'Wu Q, Van Voorhis T. Direct calculation of electron transfer parameters through constrained density functional theory. J Phys Chem A. 2006;110(29):9212-9218.'},{id:"B60",body:'VanVoorhis T, Kowalczyk T, Kaduk B, Wang LP, Cheng CL, Wu Q. The diabatic picture of electron transfer, reaction barriers, and molecular dynamics. Annu Rev Phys Chem. 2010;61:149-170.'},{id:"B61",body:'Kowalczyk T, Yost SR, Voorhis TV. Assessment ofthe Delta SCF density functional theory approach for electronic excitations in organic dyes. J Chem Phys. 2011;134(5): 054128-054136.'},{id:"B62",body:'Yeganeh S, Voorhis TV. Triplet excitation energy transfer with constrained density functional theory. J Phys Chem C. 2010;114(48):20756-20763.'},{id:"B63",body:'Kümmel S, Kronik L. Orbital-dependent density functionals: theory and applications. Rev Mod Phys. 2008;80(1):3-60.'},{id:"B64",body:'Jurecka P, Cerný J, Hobza P, Salahub DR. Density functional theory augmented with an empirical dispersion term. Interaction energies and geometries of 80 noncovalent complexes compared with ab initio quantum mechanics calculations. J Comp Chem. 2007;28(2):555-569.'},{id:"B65",body:'Grimme S. Density functional theory with London dispersion corrections. WIREs Comp Mol Sci. 2011;1(2):211-228.'},{id:"B66",body:'Lee K, Murray ÉD, Kong L, Lundqvist BI, Langreth DC. Higher-accuracy van der Waals density functional. Phys Rev B. 2010;82(8).'},{id:"B67",body:'Gierschner J, Cornil J, Egelhaaf H-J. Optical bandgaps of π-conjugated Organic Materials at the Polymer Limit: experiment and Theory. Adv Mater. 2007;19(2):173-191.'},{id:"B68",body:'Jones BA, Facchetti A, Wasielewski MR, Marks TJ. Tuning orbital energetics in arylene diimide semiconductors. materials design for ambient stability of n-type charge transport. J Am Chem Soc. 2007;129(49):15259-15278.'},{id:"B69",body:'Brédas J-L, Cornil J, Beljonne D, dos Santos DA, Shuai Z. Excited-state electronic structure of conjugated oligomers and polymers: A quantum-chemical approach to optical phenomena. Acc Chem Res. 1999;32(3):267-276.'},{id:"B70",body:'Torras J, Casanovas J, Alemán C. Reviewing Extrapolation Procedures of the Electronic Properties on the π-conjugated Polymer Limit. J Phys Chem A. 2012;116(28):7571-7583.'},{id:"B71",body:'Zade SS, Bendikov M. From oligomers to polymer: convergence in the HOMO-LUMO gaps of conjugated oligomers. Org Lett. 2006;8(23):5243-5246.'},{id:"B72",body:'Tozer DJ. Relationship between long-range charge-transfer excitation energy error and integer discontinuity in Kohn–Sham theory. J Chem Phys. 2003;119(24):12697-12699.'},{id:"B73",body:'Jain M, Chelikowsky JR, Louie SG. Reliabilty of hybrid functinal in predicting banggaps Phys Rev Lett. 2011;107: 216806-216811.'},{id:"B74",body:'Savoie BM, Jackson NE, Marks TJ, Ratner MA. Reassessing the use of one-electron energetics in the design and characterization of organic photovoltaics. Phys Chem Chem Phys. 2013;15(13):4538-4547.'},{id:"B75",body:'Yang S, Olishevski P, Kertesz M. Bandgap calculations for conjugated polymers. Synth Met. 2004;141(1-2):171-177.'},{id:"B76",body:'Salzner U. Theoretical investigation of excited states of oligothiophenes and of their monocations. J Chem Theor Comput. 2007;3(3):1143-1157.'},{id:"B77",body:'Sutton C, Sears JS, Coropceanu V. Bredas JL. Understanding the Density Functional Dependence of DFT-Calculated Electronic Couplings in Organic Semiconductors. J. Phys. Chem. Lett. 2013, 4, 919–924.'},{id:"B78",body:'Vaissier V, Mosconi E, Moia D et al. Effect of molecular fluctuations on hole diffusion within dye monolayers. Chem Mater. 2014;26(16):4731-4740.'},{id:"B79",body:'Wu Q, Van Voorhis T. Extracting electron transfer coupling elements from constrained density functional theory. J Chem Phys. 2006;125(16):164109-164105.'},{id:"B80",body:'Wu Q, Van Voorhis T. Direct optimization method to study constrained systems within density-functional theory. Phys Rev A. 2005;72(2): 024502-024505.'},{id:"B81",body:'Yaron D, Moore EE, Shuai Z. Br’edas. J Chem Phys. 1988;108(7451):81.(h) Tiago ML, Rohlfing M, Louie SG. Bound excitons and optical properties of bulk trans -polyacetylene. Phys Rev B. 2004;70(19): 193204-193208.'},{id:"B82",body:'Lee C, Yang W, Parr RG. Development of the Colle-Salvetti correlation-energy formula into a functional of the electron density. Phys Rev B Condens Matter. 1988;37(2):785-789.'},{id:"B83",body:'Yang L, Feng JK, Ren AM, Sun JZ. The electronic structure and optical properties of carbazole-based conjugated oligomers and polymers: A theoretical investigation. Polymer. 2006;47(4):1397-1404.'},{id:"B84",body:'Pogantsch A, Heimel G, Zojer E. Quantitative prediction of optical excitations in conjugated organic oligomers: A density functional theory study. J Chem Phys. 2002;117(12):5921-5928.'},{id:"B85",body:'Igumenshchev KI, Tretiak S, Chernyak VY. Excitonic effects in a time-dependent density functional theory. J Chem Phys. 2007;127(11):114902.'},{id:"B86",body:'Hammes-Schiffer S. Theoretical perspectives on proton-coupled electron transfer reactions. Acc Chem Res. 2001;34(4):273-281.'},{id:"B87",body:'Grätzel M.Photoelectrochemical cells Nature(London) 2001, 414:338-344.'},{id:"B88",body:'Burke K, Werschnik J, Gross EK. Time-dependent density functional theory: past, present, and future. J Chem Phys. 2005;123(6):62206.'},{id:"B89",body:'Dreuw A, Weisman JL, Head-Gordon M. Long-range charge-transfer excited states in time-dependent density functional theory require non-local exchange. J Chem Phys. 2003;119(6):2943-2946.'},{id:"B90",body:'Zhang Y, Yang W. A challenge for density functionals: self-interaction error increases for systems with a noninteger number of electrons. J Chem Phys. 1998;109(7):2604-2608.'},{id:"B91",body:'Ku J, Lansac Y, Jang YH. Time-dependent density functional theory study on Benzothiadiazole-based low-band-gap fused-ring copolymers for organic solar Cell Applications. J Phys Chem C. 2011;115(43):21508-21516.'},{id:"B92",body:'Pandey L, Risko C, Norton JE, Brédas J. Donor–Acceptor copolymers of relevance for organic photovoltaics: A theoretical investigation of the impact of chemical structure modifications on the electronic and optical properties. Macromolecules. 2012;45(16):6405-6414.'},{id:"B93",body:'Sokolov AN, Atahan-Evrenk S, Mondal R ̀C.; Zoombelt. A.P.; Bao, Z.; et al. From Computational Discovery to Experimental Characterization of a High Hole Mobility Organic Crystal. Nat Commun. 2002;2:437.'},{id:"B94",body:'Air mass ASTM G-173 data available at. http://rredc.nrel.gov/solar/spectra/am1.5/ Accessed April 9, 2013.'},{id:"B95",body:'Brédas JL, Beljonne D, Coropceanu V, Cornil J. Charge- ́ Transfer and Energy-Transfer Processes in π-conjugated Oligomers and Polymers: A Molecular Picture. Chem Rev. 2004;104(11):4971-5004.'}],footnotes:[],contributors:[{corresp:"yes",contributorFullName:"Numbury Surendra Babu",address:"nsbabusk@gmail.com",affiliation:'
Computational Quantum Chemistry Lab, Department of Chemistry, College of Natural and Mathematical Sciences, The University of Dodoma, Dodoma, Tanzania
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The importance of these compounds in wine is due to their large effect on the organoleptic attributes of wine. Phenolic compounds play a crucial role in the colour as well as mouthfeel properties of wines. UV-visible spectroscopy appears as a suitable technique for the evaluation of phenolic compounds’ properties and content. The ability of the phenolic ring to absorb UV light and the fact that some of the phenolic substances are coloured compounds, i.e. show absorption features in the visible region, make UV-visible spectroscopy a suitable technique to investigate and quantify grape and wine phenolic compounds. A number of analytical techniques are currently used for phenolic quantification. These include both simpler approaches (spectrophotometric determinations) as well as more complex methodologies such liquid chromatography analysis. Moreover, a number of spectroscopy applications have also been recently reported and are becoming popular within the wine industry. This chapter reviews information on the UV-visible spectral properties of phenolic compounds, changes occurring during wine ageing and also discusses the current UV-visible based analytical techniques used for the quantification of phenolic compounds in grapes and wine.",signatures:"Jose Luis Aleixandre-Tudo and Wessel du Toit",authors:[{id:"250919",title:"Dr.",name:"Jose Luis",surname:"Aleixandre-Tudo",fullName:"Jose Luis Aleixandre-Tudo",slug:"jose-luis-aleixandre-tudo",email:"joaltu@sun.ac.za"},{id:"261223",title:"Prof.",name:"Wessel",surname:"Du Toit",fullName:"Wessel Du Toit",slug:"wessel-du-toit",email:"wdutoit@sun.ac.za"}],book:{id:"6878",title:"Frontiers and New Trends in the Science of Fermented Food and Beverages",slug:"frontiers-and-new-trends-in-the-science-of-fermented-food-and-beverages",productType:{id:"1",title:"Edited Volume"}}}],collaborators:[{id:"194281",title:"Dr.",name:"Viduranga Y.",surname:"Waisundara",slug:"viduranga-y.-waisundara",fullName:"Viduranga Y. 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Arvizu Medrano",position:null,profilePictureURL:"//cdnintech.com/web/frontend/www/assets/author.svg",biography:null,institutionString:null,institution:null},{id:"260318",title:"Dr.",name:"Alejandro",surname:"Aldrete Tapia",slug:"alejandro-aldrete-tapia",fullName:"Alejandro Aldrete Tapia",position:null,profilePictureURL:"//cdnintech.com/web/frontend/www/assets/author.svg",biography:null,institutionString:null,institution:null},{id:"261223",title:"Prof.",name:"Wessel",surname:"Du Toit",slug:"wessel-du-toit",fullName:"Wessel Du Toit",position:null,profilePictureURL:"//cdnintech.com/web/frontend/www/assets/author.svg",biography:null,institutionString:null,institution:null}]},generic:{page:{slug:"attribution-policy",title:"Attribution Policy",intro:"
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Attribution – appropriate credit for the used Work or book.
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Creative Commons licenses – enable licensors to retain copyright while allowing others to use their Works in an appropriate way.
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With the purpose of protecting Authors' copyright and the transparent reuse of OA (Open Access) content, IntechOpen has developed Rules of Attribution of Works licensed under Creative Commons licenses.
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All Chapters published in IntechOpen books prior to October 2011 are licensed under the Creative Commons Attribution-NonCommercial-ShareAlike 3.0 Unported license (CC BY-NC-SA 3.0);
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Provide information about the first publisher – please note the fact that the material was originally published by IntechOpen as an OA (Open Access) Work must be acknowledged.
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Every single Work that is used has to be attributed in the way as described. If you are unsure about proper attribution, please contact Us at permissions@intechopen.com.
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IntechOpen does not have any claims on newly created copyrighted Works, but the Works originally published by IntechOpen must be properly attributed.
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All these rules apply to BOTH online and offline use.
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These reactions occur through a regular radical chain causing growth of polymer by three steps, namely, initiation, propagation, and termination. To understand ionizing radiation-induced polymerization, the water radiolysis must be taken into consideration. This chapter explores the mechanism of water molecules radiolysis paying especial attention to the basic regularities of solvent radicals’ interaction with the polymer molecules for forming the crosslinked polymer. Water radiolysis is the main engine of the polymerization processes, especially the “free-radical polymerization.” The mechanisms of the free-radical polymerization and crosslinking will be discussed in detail later. Since different polymers respond differently to radiation, it is useful to quantify the response, namely in terms of crosslinking and chain scission. A parameter called the G-value is frequently used for this purpose. It represents the chemical yield of crosslinks, scissions and double bonds, etc. For the crosslinked polymer, the crosslinking density increases with increasing the radiation dose, this is reflected by the swelling degree of the polymer while being immersed in a compatible solvent. If crosslinking predominates, the crosslinking density increases and the extent of swelling decreases. If chain scission predominates, the opposite occurs. 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In this chapter, the following aspects of radiation treatment process are considered: sources of contamination and major contaminants of water and wastewater; primary processes in aqueous systems initiated by ionizing radiation; principal ways of contaminant conversion as consequences of primary processes (complete mineralization of organic compounds, partial decomposition of organic molecules resulted in detoxification, decolorization, disinfection of polluted water, and improvement in biological degradation of contaminant, polymerization of monomers’ contaminants, oxidation-reduction processes, and coagulation of colloids); sources of ionizing radiation; and main equipment applied in radiation technologies of aqueous system purification.",book:{id:"6149",slug:"ionizing-radiation-effects-and-applications",title:"Ionizing Radiation Effects and Applications",fullTitle:"Ionizing Radiation Effects and Applications"},signatures:"Igor E. Makarov and Alexander V. 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Despite rich genetic diversity, manipulation of the cultivars through alternative techniques such as mutation breeding becomes important. Radiation is proven as an effective method as a unique method to increase the genetic variability of the species. Gamma radiation is the most preferred physical mutagen by plant breeders. Several mutant varieties have been successfully introduced into commercial production by this method. Combinational use of in vitro tissue culture and mutation breeding methods makes a significant contribution to improve new crops. Large populations and the target mutations can be easily screened and identified by new methods. Marker assisted selection and advanced techniques such as microarray, next generation sequencing methods to detect a specific mutant in a large population will help to the plant breeders to use ionizing radiation efficiently in breeding programs.",book:{id:"5451",slug:"new-insights-on-gamma-rays",title:"New Insights on Gamma Rays",fullTitle:"New Insights on Gamma Rays"},signatures:"Özge Çelik and Çimen Atak",authors:[{id:"147362",title:"Dr.",name:"Özge",middleName:null,surname:"Çelik",slug:"ozge-celik",fullName:"Özge Çelik"},{id:"147364",title:"Prof.",name:"Çimen",middleName:null,surname:"Atak",slug:"cimen-atak",fullName:"Çimen Atak"}]}],mostDownloadedChaptersLast30Days:[{id:"32842",title:"Sterilization by Gamma Irradiation",slug:"sterilization-by-gamma-irradiation",totalDownloads:74724,totalCrossrefCites:36,totalDimensionsCites:82,abstract:null,book:{id:"1590",slug:"gamma-radiation",title:"Gamma Radiation",fullTitle:"Gamma Radiation"},signatures:"Kátia Aparecida da Silva Aquino",authors:[{id:"102109",title:"Dr.",name:"Katia",middleName:"Aparecida Da S.",surname:"Aquino",slug:"katia-aquino",fullName:"Katia Aquino"}]},{id:"32837",title:"Environmental Gamma-Ray Observation in Deep Sea",slug:"environmental-gamma-ray-observation-in-deep-sea-",totalDownloads:2897,totalCrossrefCites:4,totalDimensionsCites:6,abstract:null,book:{id:"1590",slug:"gamma-radiation",title:"Gamma Radiation",fullTitle:"Gamma Radiation"},signatures:"Hidenori Kumagai, Ryoichi Iwase, Masataka Kinoshita, Hideaki Machiyama, Mutsuo Hattori and Masaharu Okano",authors:[{id:"108174",title:"Dr.",name:"Hidenori",middleName:null,surname:"Kumagai",slug:"hidenori-kumagai",fullName:"Hidenori Kumagai"},{id:"108237",title:"Dr.",name:"Masa",middleName:null,surname:"Kinoshita",slug:"masa-kinoshita",fullName:"Masa Kinoshita"},{id:"137650",title:"Dr.",name:"Ryoichi",middleName:null,surname:"Iwase",slug:"ryoichi-iwase",fullName:"Ryoichi Iwase"},{id:"137656",title:"Dr.",name:"Hideaki",middleName:null,surname:"Machiyama",slug:"hideaki-machiyama",fullName:"Hideaki Machiyama"},{id:"146918",title:"Dr.",name:"Mutsuo",middleName:null,surname:"Hattori",slug:"mutsuo-hattori",fullName:"Mutsuo Hattori"},{id:"146919",title:"Dr.",name:"Masaharu",middleName:null,surname:"Okano",slug:"masaharu-okano",fullName:"Masaharu Okano"}]},{id:"58998",title:"Ionizing Radiation-Induced Polymerization",slug:"ionizing-radiation-induced-polymerization",totalDownloads:1755,totalCrossrefCites:8,totalDimensionsCites:17,abstract:"Ionizing radiation can induce some kinds of reactions, other than polymerization, such as dimerization, oligomerization, curing, and grafting. These reactions occur through a regular radical chain causing growth of polymer by three steps, namely, initiation, propagation, and termination. To understand ionizing radiation-induced polymerization, the water radiolysis must be taken into consideration. This chapter explores the mechanism of water molecules radiolysis paying especial attention to the basic regularities of solvent radicals’ interaction with the polymer molecules for forming the crosslinked polymer. Water radiolysis is the main engine of the polymerization processes, especially the “free-radical polymerization.” The mechanisms of the free-radical polymerization and crosslinking will be discussed in detail later. Since different polymers respond differently to radiation, it is useful to quantify the response, namely in terms of crosslinking and chain scission. A parameter called the G-value is frequently used for this purpose. It represents the chemical yield of crosslinks, scissions and double bonds, etc. For the crosslinked polymer, the crosslinking density increases with increasing the radiation dose, this is reflected by the swelling degree of the polymer while being immersed in a compatible solvent. If crosslinking predominates, the crosslinking density increases and the extent of swelling decreases. If chain scission predominates, the opposite occurs. A further detailed discussion of these aspects is presented throughout this chapter.",book:{id:"6149",slug:"ionizing-radiation-effects-and-applications",title:"Ionizing Radiation Effects and Applications",fullTitle:"Ionizing Radiation Effects and Applications"},signatures:"Mohamed Mohamady Ghobashy",authors:[{id:"212371",title:"Dr.",name:"Mohamed",middleName:null,surname:"Mohamady Ghobashy",slug:"mohamed-mohamady-ghobashy",fullName:"Mohamed Mohamady Ghobashy"}]},{id:"53780",title:"Gamma-Ray Spectrometry and the Investigation of Environmental and Food Samples",slug:"gamma-ray-spectrometry-and-the-investigation-of-environmental-and-food-samples",totalDownloads:2476,totalCrossrefCites:1,totalDimensionsCites:1,abstract:"Gamma radiation consists of high‐energy photons and penetrates matter. This is an advantage for the detection of gamma rays, as gamma spectrometry does not need the elimination of the matrix. The disadvantage is the need of shielding to protect against this radiation. Gamma rays are everywhere: in the atmosphere; gamma nuclides are produced by radiation of the sun; in the Earth, the primordial radioactive nuclides thorium and uranium are sources for gamma and other radiation. The technical enrichment and use of radioisotopes led to the unscrupulously use of radioactive material and to the Cold War, with over 900 bomb tests from 1945 to 1990, combined with global fallout over the northern hemisphere. The friendly use of radiation in medicine and for the production of energy at nuclear power plants (NPPs) has caused further expositions with ionising radiation. This chapter describes in a practical manner the instrumentation for the detection of gamma radiation and some results of the use of these techniques in environmental and food investigations.",book:{id:"5451",slug:"new-insights-on-gamma-rays",title:"New Insights on Gamma Rays",fullTitle:"New Insights on Gamma Rays"},signatures:"Markus R. Zehringer",authors:[{id:"311750",title:"Dr.",name:"Markus R.",middleName:null,surname:"Zehringer",slug:"markus-r.-zehringer",fullName:"Markus R. Zehringer"}]},{id:"54118",title:"Gamma Rays from Space",slug:"gamma-rays-from-space",totalDownloads:2005,totalCrossrefCites:1,totalDimensionsCites:1,abstract:"An overview of gamma rays from space is presented. We highlight the most powerful astrophysical explosions, known as gamma-ray bursts. The main features observed in detectors onboard satellites are indicated. In addition, we also highlight a chronological description of the efforts made to observe their high energy counterpart at ground level. Some candidates of the GeV counterpart of gamma-ray bursts, observed by Tupi telescopes, are also presented.",book:{id:"5451",slug:"new-insights-on-gamma-rays",title:"New Insights on Gamma Rays",fullTitle:"New Insights on Gamma Rays"},signatures:"Carlos Navia and Marcel Nogueira de Oliveira",authors:[{id:"189908",title:"Dr.",name:"Carlos",middleName:null,surname:"Navia",slug:"carlos-navia",fullName:"Carlos Navia"},{id:"243084",title:"MSc.",name:"Marcel",middleName:null,surname:"De Oliveira",slug:"marcel-de-oliveira",fullName:"Marcel De Oliveira"}]}],onlineFirstChaptersFilter:{topicId:"227",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:106,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:"13",text:"The collaboration with and support of the technical staff of IntechOpen is fantastic. The whole process of submitting an article and editing of the submitted article goes extremely smooth and fast, the number of reads and downloads of chapters is high, and the contributions are also frequently cited.",author:{id:"55578",name:"Antonio",surname:"Jurado-Navas",institutionString:null,profilePictureURL:"https://s3.us-east-1.amazonaws.com/intech-files/0030O00002bRisIQAS/Profile_Picture_1626166543950",slug:"antonio-jurado-navas",institution:{id:"720",name:"University of Malaga",country:{id:null,name:"Spain"}}}},{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"}}}}]},series:{item:{id:"24",title:"Sustainable Development",doi:"10.5772/intechopen.100361",issn:null,scope:"
\r\n\tTransforming our World: the 2030 Agenda for Sustainable Development endorsed by United Nations and 193 Member States, came into effect on Jan 1, 2016, to guide decision making and actions to the year 2030 and beyond. Central to this Agenda are 17 Goals, 169 associated targets and over 230 indicators that are reviewed annually. The vision envisaged in the implementation of the SDGs is centered on the five Ps: People, Planet, Prosperity, Peace and Partnership. This call for renewed focused efforts ensure we have a safe and healthy planet for current and future generations.
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\r\n\tThis Series focuses on covering research and applied research involving the five Ps through the following topics:
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\r\n\t1. Sustainable Economy and Fair Society that relates to SDG 1 on No Poverty, SDG 2 on Zero Hunger, SDG 8 on Decent Work and Economic Growth, SDG 10 on Reduced Inequalities, SDG 12 on Responsible Consumption and Production, and SDG 17 Partnership for the Goals
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\r\n\t2. Health and Wellbeing focusing on SDG 3 on Good Health and Wellbeing and SDG 6 on Clean Water and Sanitation
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\r\n\t3. Inclusivity and Social Equality involving SDG 4 on Quality Education, SDG 5 on Gender Equality, and SDG 16 on Peace, Justice and Strong Institutions
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\r\n\t4. Climate Change and Environmental Sustainability comprising SDG 13 on Climate Action, SDG 14 on Life Below Water, and SDG 15 on Life on Land
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\r\n\t5. Urban Planning and Environmental Management embracing SDG 7 on Affordable Clean Energy, SDG 9 on Industry, Innovation and Infrastructure, and SDG 11 on Sustainable Cities and Communities.
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\r\n\tThe series also seeks to support the use of cross cutting SDGs, as many of the goals listed above, targets and indicators are all interconnected to impact our lives and the decisions we make on a daily basis, making them impossible to tie to a single topic.
",coverUrl:"https://cdn.intechopen.com/series/covers/24.jpg",latestPublicationDate:"April 24th, 2022",hasOnlineFirst:!0,numberOfPublishedBooks:0,editor:{id:"262440",title:"Prof.",name:"Usha",middleName:null,surname:"Iyer-Raniga",slug:"usha-iyer-raniga",fullName:"Usha Iyer-Raniga",profilePictureURL:"https://s3.us-east-1.amazonaws.com/intech-files/0030O00002bRYSXQA4/Profile_Picture_2022-02-28T13:55:36.jpeg",biography:"Usha Iyer-Raniga is a professor in the School of Property and Construction Management at RMIT University. Usha co-leads the One Planet Network’s Sustainable Buildings and Construction Programme (SBC), a United Nations 10 Year Framework of Programmes on Sustainable Consumption and Production (UN 10FYP SCP) aligned with Sustainable Development Goal 12. The work also directly impacts SDG 11 on Sustainable Cities and Communities. She completed her undergraduate degree as an architect before obtaining her Masters degree from Canada and her Doctorate in Australia. Usha has been a keynote speaker as well as an invited speaker at national and international conferences, seminars and workshops. Her teaching experience includes teaching in Asian countries. She has advised Austrade, APEC, national, state and local governments. She serves as a reviewer and a member of the scientific committee for national and international refereed journals and refereed conferences. She is on the editorial board for refereed journals and has worked on Special Issues. Usha has served and continues to serve on the Boards of several not-for-profit organisations and she has also served as panel judge for a number of awards including the Premiers Sustainability Award in Victoria and the International Green Gown Awards. Usha has published over 100 publications, including research and consulting reports. Her publications cover a wide range of scientific and technical research publications that include edited books, book chapters, refereed journals, refereed conference papers and reports for local, state and federal government clients. She has also produced podcasts for various organisations and participated in media interviews. She has received state, national and international funding worth over USD $25 million. Usha has been awarded the Quarterly Franklin Membership by London Journals Press (UK). Her biography has been included in the Marquis Who's Who in the World® 2018, 2016 (33rd Edition), along with approximately 55,000 of the most accomplished men and women from around the world, including luminaries as U.N. Secretary-General Ban Ki-moon. In 2017, Usha was awarded the Marquis Who’s Who Lifetime Achiever Award.",institutionString:null,institution:{name:"RMIT University",institutionURL:null,country:{name:"Australia"}}},editorTwo:null,editorThree:null},subseries:{paginationCount:4,paginationItems:[{id:"14",title:"Cell and Molecular Biology",coverUrl:"https://cdn.intechopen.com/series_topics/covers/14.jpg",isOpenForSubmission:!0,editor:{id:"165627",title:"Dr.",name:"Rosa María",middleName:null,surname:"Martínez-Espinosa",slug:"rosa-maria-martinez-espinosa",fullName:"Rosa María Martínez-Espinosa",profilePictureURL:"https://mts.intechopen.com/storage/users/165627/images/system/165627.jpeg",biography:"Dr. Rosa María Martínez-Espinosa has been a Spanish Full Professor since 2020 (Biochemistry and Molecular Biology) and is currently Vice-President of International Relations and Cooperation development and leader of the research group 'Applied Biochemistry” (University of Alicante, Spain). Other positions she has held at the university include Vice-Dean of Master Programs, Vice-Dean of the Degree in Biology and Vice-Dean for Mobility and Enterprise and Engagement at the Faculty of Science (University of Alicante). She received her Bachelor in Biology in 1998 (University of Alicante) and her PhD in 2003 (Biochemistry, University of Alicante). She undertook post-doctoral research at the University of East Anglia (Norwich, U.K. 2004-2005; 2007-2008).\nHer multidisciplinary research focuses on investigating archaea and their potential applications in biotechnology. She has an H-index of 21. She has authored one patent and has published more than 70 indexed papers and around 60 book chapters.\nShe has contributed to more than 150 national and international meetings during the last 15 years. Her research interests include archaea metabolism, enzymes purification and characterization, gene regulation, carotenoids and bioplastics production, antioxidant\ncompounds, waste water treatments, and brines bioremediation.\nRosa María’s other roles include editorial board member for several journals related\nto biochemistry, reviewer for more than 60 journals (biochemistry, molecular biology, biotechnology, chemistry and microbiology) and president of several organizing committees in international meetings related to the N-cycle or respiratory processes.",institutionString:null,institution:{name:"University of Alicante",institutionURL:null,country:{name:"Spain"}}},editorTwo:null,editorThree:null},{id:"15",title:"Chemical Biology",coverUrl:"https://cdn.intechopen.com/series_topics/covers/15.jpg",isOpenForSubmission:!0,editor:{id:"441442",title:"Dr.",name:"Şükrü",middleName:null,surname:"Beydemir",slug:"sukru-beydemir",fullName:"Şükrü Beydemir",profilePictureURL:"https://s3.us-east-1.amazonaws.com/intech-files/0033Y00003GsUoIQAV/Profile_Picture_1634557147521",biography:"Dr. Şükrü Beydemir obtained a BSc in Chemistry in 1995 from Yüzüncü Yıl University, MSc in Biochemistry in 1998, and PhD in Biochemistry in 2002 from Atatürk University, Turkey. He performed post-doctoral studies at Max-Planck Institute, Germany, and University of Florence, Italy in addition to making several scientific visits abroad. He currently works as a Full Professor of Biochemistry in the Faculty of Pharmacy, Anadolu University, Turkey. Dr. Beydemir has published over a hundred scientific papers spanning protein biochemistry, enzymology and medicinal chemistry, reviews, book chapters and presented several conferences to scientists worldwide. He has received numerous publication awards from various international scientific councils. He serves in the Editorial Board of several international journals. Dr. Beydemir is also Rector of Bilecik Şeyh Edebali University, Turkey.",institutionString:null,institution:{name:"Anadolu University",institutionURL:null,country:{name:"Turkey"}}},editorTwo:{id:"13652",title:"Prof.",name:"Deniz",middleName:null,surname:"Ekinci",slug:"deniz-ekinci",fullName:"Deniz Ekinci",profilePictureURL:"https://s3.us-east-1.amazonaws.com/intech-files/0030O00002aYLT1QAO/Profile_Picture_1634557223079",biography:"Dr. Deniz Ekinci obtained a BSc in Chemistry in 2004, MSc in Biochemistry in 2006, and PhD in Biochemistry in 2009 from Atatürk University, Turkey. He studied at Stetson University, USA, in 2007-2008 and at the Max Planck Institute of Molecular Cell Biology and Genetics, Germany, in 2009-2010. Dr. Ekinci currently works as a Full Professor of Biochemistry in the Faculty of Agriculture and is the Head of the Enzyme and Microbial Biotechnology Division, Ondokuz Mayıs University, Turkey. He is a member of the Turkish Biochemical Society, American Chemical Society, and German Genetics society. Dr. Ekinci published around ninety scientific papers, reviews and book chapters, and presented several conferences to scientists. He has received numerous publication awards from several scientific councils. Dr. Ekinci serves as the Editor in Chief of four international books and is involved in the Editorial Board of several international journals.",institutionString:null,institution:{name:"Ondokuz Mayıs University",institutionURL:null,country:{name:"Turkey"}}},editorThree:null},{id:"17",title:"Metabolism",coverUrl:"https://cdn.intechopen.com/series_topics/covers/17.jpg",isOpenForSubmission:!0,editor:{id:"138626",title:"Dr.",name:"Yannis",middleName:null,surname:"Karamanos",slug:"yannis-karamanos",fullName:"Yannis Karamanos",profilePictureURL:"https://s3.us-east-1.amazonaws.com/intech-files/0030O00002g6Jv2QAE/Profile_Picture_1629356660984",biography:"Yannis Karamanos, born in Greece in 1953, completed his pre-graduate studies at the Université Pierre et Marie Curie, Paris, then his Masters and Doctoral degree at the Université de Lille (1983). He was associate professor at the University of Limoges (1987) before becoming full professor of biochemistry at the Université d’Artois (1996). He worked on the structure-function relationships of glycoconjugates and his main project was the investigations on the biological roles of the de-N-glycosylation enzymes (Endo-N-acetyl-β-D-glucosaminidase and peptide-N4-(N-acetyl-β-glucosaminyl) asparagine amidase). From 2002 he contributes to the understanding of the Blood-brain barrier functioning using proteomics approaches. He has published more than 70 papers. His teaching areas are energy metabolism and regulation, integration and organ specialization and metabolic adaptation.",institutionString:null,institution:{name:"Artois University",institutionURL:null,country:{name:"France"}}},editorTwo:null,editorThree:null},{id:"18",title:"Proteomics",coverUrl:"https://cdn.intechopen.com/series_topics/covers/18.jpg",isOpenForSubmission:!0,editor:{id:"200689",title:"Prof.",name:"Paolo",middleName:null,surname:"Iadarola",slug:"paolo-iadarola",fullName:"Paolo Iadarola",profilePictureURL:"https://s3.us-east-1.amazonaws.com/intech-files/0030O00002bSCl8QAG/Profile_Picture_1623568118342",biography:"Paolo Iadarola graduated with a degree in Chemistry from the University of Pavia (Italy) in July 1972. He then worked as an Assistant Professor at the Faculty of Science of the same University until 1984. In 1985, Prof. Iadarola became Associate Professor at the Department of Biology and Biotechnologies of the University of Pavia and retired in October 2017. Since then, he has been working as an Adjunct Professor in the same Department at the University of Pavia. His research activity during the first years was primarily focused on the purification and structural characterization of enzymes from animal and plant sources. During this period, Prof. Iadarola familiarized himself with the conventional techniques used in column chromatography, spectrophotometry, manual Edman degradation, and electrophoresis). Since 1995, he has been working on: i) the determination in biological fluids (serum, urine, bronchoalveolar lavage, sputum) of proteolytic activities involved in the degradation processes of connective tissue matrix, and ii) on the identification of biological markers of lung diseases. In this context, he has developed and validated new methodologies (e.g., Capillary Electrophoresis coupled to Laser-Induced Fluorescence, CE-LIF) whose application enabled him to determine both the amounts of biochemical markers (Desmosines) in urine/serum of patients affected by Chronic Obstructive Pulmonary Disease (COPD) and the activity of proteolytic enzymes (Human Neutrophil Elastase, Cathepsin G, Pseudomonas aeruginosa elastase) in sputa of these patients. More recently, Prof. Iadarola was involved in developing techniques such as two-dimensional electrophoresis coupled to liquid chromatography/mass spectrometry (2DE-LC/MS) for the proteomic analysis of biological fluids aimed at the identification of potential biomarkers of different lung diseases. He is the author of about 150 publications (According to Scopus: H-Index: 23; Total citations: 1568- According to WOS: H-Index: 20; Total Citations: 1296) of peer-reviewed international journals. He is a Consultant Reviewer for several journals, including the Journal of Chromatography A, Journal of Chromatography B, Plos ONE, Proteomes, International Journal of Molecular Science, Biotech, Electrophoresis, and others. He is also Associate Editor of Biotech.",institutionString:null,institution:{name:"University of Pavia",institutionURL:null,country:{name:"Italy"}}},editorTwo:{id:"201414",title:"Dr.",name:"Simona",middleName:null,surname:"Viglio",slug:"simona-viglio",fullName:"Simona Viglio",profilePictureURL:"https://s3.us-east-1.amazonaws.com/intech-files/0030O00002bRKDHQA4/Profile_Picture_1630402531487",biography:"Simona Viglio is an Associate Professor of Biochemistry at the Department of Molecular Medicine at the University of Pavia. She has been working since 1995 on the determination of proteolytic enzymes involved in the degradation process of connective tissue matrix and on the identification of biological markers of lung diseases. She gained considerable experience in developing and validating new methodologies whose applications allowed her to determine both the amount of biomarkers (Desmosine and Isodesmosine) in the urine of patients affected by COPD, and the activity of proteolytic enzymes (HNE, Cathepsin G, Pseudomonas aeruginosa elastase) in the sputa of these patients. Simona Viglio was also involved in research dealing with the supplementation of amino acids in patients with brain injury and chronic heart failure. She is presently engaged in the development of 2-DE and LC-MS techniques for the study of proteomics in biological fluids. The aim of this research is the identification of potential biomarkers of lung diseases. 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Main aspects of the topic are: Applying bioinformatics in drug discovery and development; Bioinformatics in clinical diagnostics (genetic variants that act as markers for a condition or a disease); Blockchain and Artificial Intelligence/Machine Learning in personalized medicine; Customize disease-prevention strategies in personalized medicine; Big data analysis in personalized medicine; Translating stratification algorithms into clinical practice of personalized medicine.",annualVolume:11403,isOpenForSubmission:!0,coverUrl:"https://cdn.intechopen.com/series_topics/covers/7.jpg",editor:{id:"351533",title:"Dr.",name:"Slawomir",middleName:null,surname:"Wilczynski",fullName:"Slawomir Wilczynski",profilePictureURL:"https://s3.us-east-1.amazonaws.com/intech-files/0033Y000035U1loQAC/Profile_Picture_1630074514792",institutionString:null,institution:{name:"Medical University of Silesia",institutionURL:null,country:{name:"Poland"}}},editorTwo:null,editorThree:null,editorialBoard:[{id:"5886",title:"Dr.",name:"Alexandros",middleName:"T.",surname:"Tzallas",fullName:"Alexandros Tzallas",profilePictureURL:"https://mts.intechopen.com/storage/users/5886/images/system/5886.png",institutionString:"University of Ioannina, Greece & Imperial College London",institution:{name:"University of Ioannina",institutionURL:null,country:{name:"Greece"}}},{id:"257388",title:"Distinguished Prof.",name:"Lulu",middleName:null,surname:"Wang",fullName:"Lulu Wang",profilePictureURL:"https://s3.us-east-1.amazonaws.com/intech-files/0030O00002bRX6kQAG/Profile_Picture_1630329584194",institutionString:null,institution:{name:"Shenzhen Technology University",institutionURL:null,country:{name:"China"}}},{id:"225387",title:"Prof.",name:"Reda",middleName:"R.",surname:"Gharieb",fullName:"Reda Gharieb",profilePictureURL:"https://mts.intechopen.com/storage/users/225387/images/system/225387.jpg",institutionString:"Assiut University",institution:{name:"Assiut University",institutionURL:null,country:{name:"Egypt"}}}]},{id:"8",title:"Bioinspired Technology and Biomechanics",keywords:"Bioinspired Systems, Biomechanics, Assistive Technology, Rehabilitation",scope:'Bioinspired technologies take advantage of understanding the actual biological system to provide solutions to problems in several areas. Recently, bioinspired systems have been successfully employing biomechanics to develop and improve assistive technology and rehabilitation devices. The research topic "Bioinspired Technology and Biomechanics" welcomes studies reporting recent advances in bioinspired technologies that contribute to individuals\' health, inclusion, and rehabilitation. Possible contributions can address (but are not limited to) the following research topics: Bioinspired design and control of exoskeletons, orthoses, and prostheses; Experimental evaluation of the effect of assistive devices (e.g., influence on gait, balance, and neuromuscular system); Bioinspired technologies for rehabilitation, including clinical studies reporting evaluations; Application of neuromuscular and biomechanical models to the development of bioinspired technology.',annualVolume:11404,isOpenForSubmission:!0,coverUrl:"https://cdn.intechopen.com/series_topics/covers/8.jpg",editor:{id:"144937",title:"Prof.",name:"Adriano",middleName:"De Oliveira",surname:"Andrade",fullName:"Adriano Andrade",profilePictureURL:"https://s3.us-east-1.amazonaws.com/intech-files/0030O00002bRC8QQAW/Profile_Picture_1625219101815",institutionString:null,institution:{name:"Federal University of Uberlândia",institutionURL:null,country:{name:"Brazil"}}},editorTwo:null,editorThree:null,editorialBoard:[{id:"49517",title:"Prof.",name:"Hitoshi",middleName:null,surname:"Tsunashima",fullName:"Hitoshi Tsunashima",profilePictureURL:"https://s3.us-east-1.amazonaws.com/intech-files/0030O00002aYTP4QAO/Profile_Picture_1625819726528",institutionString:null,institution:{name:"Nihon University",institutionURL:null,country:{name:"Japan"}}},{id:"425354",title:"Dr.",name:"Marcus",middleName:"Fraga",surname:"Vieira",fullName:"Marcus Vieira",profilePictureURL:"https://s3.us-east-1.amazonaws.com/intech-files/0033Y00003BJSgIQAX/Profile_Picture_1627904687309",institutionString:null,institution:{name:"Universidade Federal de Goiás",institutionURL:null,country:{name:"Brazil"}}},{id:"196746",title:"Dr.",name:"Ramana",middleName:null,surname:"Vinjamuri",fullName:"Ramana Vinjamuri",profilePictureURL:"https://mts.intechopen.com/storage/users/196746/images/system/196746.jpeg",institutionString:"University of Maryland, Baltimore County",institution:{name:"University of Maryland, Baltimore County",institutionURL:null,country:{name:"United States of America"}}}]},{id:"9",title:"Biotechnology - Biosensors, Biomaterials and Tissue Engineering",keywords:"Biotechnology, Biosensors, Biomaterials, Tissue Engineering",scope:"The Biotechnology - Biosensors, Biomaterials and Tissue Engineering topic within the Biomedical Engineering Series aims to rapidly publish contributions on all aspects of biotechnology, biosensors, biomaterial and tissue engineering. We encourage the submission of manuscripts that provide novel and mechanistic insights that report significant advances in the fields. Topics can include but are not limited to: Biotechnology such as biotechnological products and process engineering; Biotechnologically relevant enzymes and proteins; Bioenergy and biofuels; Applied genetics and molecular biotechnology; Genomics, transcriptomics, proteomics; Applied microbial and cell physiology; Environmental biotechnology; Methods and protocols. Moreover, topics in biosensor technology, like sensors that incorporate enzymes, antibodies, nucleic acids, whole cells, tissues and organelles, and other biological or biologically inspired components will be considered, and topics exploring transducers, including those based on electrochemical and optical piezoelectric, thermal, magnetic, and micromechanical elements. Chapters exploring biomaterial approaches such as polymer synthesis and characterization, drug and gene vector design, biocompatibility, immunology and toxicology, and self-assembly at the nanoscale, are welcome. Finally, the tissue engineering subcategory will support topics such as the fundamentals of stem cells and progenitor cells and their proliferation, differentiation, bioreactors for three-dimensional culture and studies of phenotypic changes, stem and progenitor cells, both short and long term, ex vivo and in vivo implantation both in preclinical models and also in clinical trials.",annualVolume:11405,isOpenForSubmission:!0,coverUrl:"https://cdn.intechopen.com/series_topics/covers/9.jpg",editor:{id:"126286",title:"Dr.",name:"Luis",middleName:"Jesús",surname:"Villarreal-Gómez",fullName:"Luis Villarreal-Gómez",profilePictureURL:"https://mts.intechopen.com/storage/users/126286/images/system/126286.jpg",institutionString:null,institution:{name:"Autonomous University of Baja California",institutionURL:null,country:{name:"Mexico"}}},editorTwo:null,editorThree:null,editorialBoard:[{id:"35539",title:"Dr.",name:"Cecilia",middleName:null,surname:"Cristea",fullName:"Cecilia Cristea",profilePictureURL:"https://s3.us-east-1.amazonaws.com/intech-files/0030O00002aYQ65QAG/Profile_Picture_1621007741527",institutionString:null,institution:{name:"Iuliu Hațieganu University of Medicine and Pharmacy",institutionURL:null,country:{name:"Romania"}}},{id:"40735",title:"Dr.",name:"Gil",middleName:"Alberto Batista",surname:"Gonçalves",fullName:"Gil Gonçalves",profilePictureURL:"https://s3.us-east-1.amazonaws.com/intech-files/0030O00002aYRLGQA4/Profile_Picture_1628492612759",institutionString:null,institution:{name:"University of Aveiro",institutionURL:null,country:{name:"Portugal"}}},{id:"211725",title:"Associate Prof.",name:"Johann F.",middleName:null,surname:"Osma",fullName:"Johann F. 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