Relevant bibliographies by topics / Protonation

Academic literature on the topic 'Protonation'

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Published: 4 June 2021
Last updated: 6 September 2023

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Journal articles on the topic "Protonation"

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Perez, G., E. Possagno, and E. Lilla. "Influence of Protonation Exothermicity on Gas-Phase Concurrent Dealkylation and Isomerization of p-Cymene." Australian Journal of Chemistry 45, no. 3 (1992): 623. http://dx.doi.org/10.1071/ch9920623.

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The gas-phase protonation is reported of p-cymene (p- isopropyltoluene ) by different radiolytically formed protonating agents (O2H+, N2H+, CH5+, COH+). The characteristics of the reactions vary with the protonation exothermicity . Both dealkylation and isomerization are observed with O2H+ or N2H+ ions. Only dealkylation occurs when the protonating agent is the CH5+ ion. Formation of products is not observed when the less energetic COH+ ions are employed. The results show that in the competition between isomerization and dealkylation the dealkylation reaction becomes favoured as the protonation exothermicity decreases.
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Jankovska, Katica, Lidija Soptrajanova, and Ilinka Spirevska. "Protonation of maleic and fumaric acid in aqueous sulfuric acid solutions." Journal of the Serbian Chemical Society 65, no. 10 (2000): 695–708. http://dx.doi.org/10.2298/jsc0010695j.

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The protonations of maleic and fumaric acid in an acidic medium (aqueous solutions of sulfuric acid) were followed spectrophotometrically at room temperature. The acid-base equilibria were characterised qualitatively and quantitatively. The pKBH+ values were determined using the Hammett equation, employing several acid functions in order to determine which of them describes best the protonation process of the studied organic acids. The thermodynamic pKBH+ values as well as those of the solvation parameters m, m* and ? and of the thermodynamic protonation constants (or, rather, the pKa,p values) were also defermined. The method of characteristic vector analysis (CVA) was used to reconstruct the experimental spectra.
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Singh, Anil K., Camille Sandorfy, and Janos H. Fendler. "Retinylidene Schiff bases in surfactant-solubilized water pools in heptane." Canadian Journal of Chemistry 68, no. 9 (September 1, 1990): 1514–22. http://dx.doi.org/10.1139/v90-233.

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All-trans-retinal (1) was reacted with n-butylamine in sodium bis(2-ethylhexyl)sulfosuccinate (AOT) reverse micelles in heptane to form all-trans-N-retinylidene–n-butylamine Schiff bases (2). The extent of protonation of 2 by 3-chloropropionic acid (CPA) to give 3 in AOT reverse micelles in heptane was found to depend on the ratio of [CPA] to [2], as well as on [H2O]/[AOT] (i.e., on the ω value). At any given [2] and ω values, increasing amounts of CPA increased the protonation and at any given constant [2] and [CPA], increasing ω values also increased the protonation. Over a period of 24 hours, there was only 4% decomposition of 2 in AOT reverse micelles in heptane at ω = 24. Conversely, in three hours, 23% of 3 decomposed in the same system. The trans to cis photoisomerization of 2 in heptane occurred at a much faster rate in the presence of AOT reverse micelles than in their absence. The appearance of carboxylate peaks (FTIR, 1400–1500 cm−1) indicated that the larger the AOT solubilized water pools, the greater the CPA dissociation. 1 also reacted with the α-NH2 group of l-lysine (4) in AOT reverse micelles in heptane to give the corresponding Schiff base 6. Protonation of 6 occurred either intramolecularly or by reaction with unreacted 4. These results were discussed in terms of rhodopsin protonations. Keywords: retinylidene Schiff bases, reverse micelles, protonation of Schiff bases, trans to cis photoisomerization.
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Perisic-Janjic, Nada, Jevrem Janjic, and Marija Lazarevic. "A spectrophotometric study of the protonation processes of some N-[1-(benzimidazol)-1-yl]methylbenzamide derivatives." Journal of the Serbian Chemical Society 65, no. 1 (2000): 37–45. http://dx.doi.org/10.2298/jsc0001037p.

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The protonation of N-[1-(benzimidazol)-1-yl]methylbenzamide derivatives in aqueous acids (H2SO4) media was investigated, using a spectrophotometric method. The investigated compounds have two protonation processes. The first protonation process occurs in weakly acidic aqueous solutions (pH range) and refers to the protonation of the benzimidazole part of the molecule. The second protonation process occurs in concentrated sulfuric acid solutions and refers to protonation of the amide group. The protonation constants of the second process were calculated by the Hammett and Cox-Yates method. The effect of chemical structure on the ionisation constants is discussed. A correlation between the protonation constants and antimicrobial activity was established.
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Mohr, Justin T., Allen Y. Hong, and Brian M. Stoltz. "Enantioselective protonation." Nature Chemistry 1, no. 5 (July 24, 2009): 359–69. http://dx.doi.org/10.1038/nchem.297.

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Chandrasekaran, Maruthai, Michael Noel, and Venkatasubramanian Krishnan. "Glassy carbon surface effects on the electroreduction of aromatic carbonyl compounds. II Benzophenone." Collection of Czechoslovak Chemical Communications 56, no. 10 (1991): 2055–66. http://dx.doi.org/10.1135/cccc19912055.

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Results of the voltammetric study of benzophenone reduction in dimethylformamide and aqueous media on GCE are presented together with the comparative discussion of the data for mercury and other electrodes available in the literature. The formation and stability of anion radicals and dianions and their reactivity with protonating agents on GCE are similar to those on mercury electrodes. A new surface prewave noticed in aprotic and neutral aqueous solutions on GCE has not so far been reported on any other electrode. All experimental evidences support the view that this prewave is due to the surface protonation by the acidic functional groups on GCE. The surface protonation is found to be a slow time-dependent process requiring 3-4 minutes for completion. The surface concentration evaluated from the faradaic response of the surface process is found to be around 30% or even less if the surface roughness factor is considered,. The importance of this finding to the general concept of surface acidity effects on electrocatalysis is also emphasised.
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Sharma, Sangita, Mayur C. Shah, Neha Patel, Dipika Dalwadi, and J. J. Vora. "Potentiometric Studies on the Protonation Constants and Protonation Energies of Some Diamines in Methanol + Water Mixtures." E-Journal of Chemistry 4, no. 3 (2007): 313–19. http://dx.doi.org/10.1155/2007/978639.

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The protonation constants of diamines such as ethylenediamine, 1,2-diaminopropane, 1,3-diaminopropane,o-phenylenediamine,m-phenylene-diamine,p-phenylenediamine were determined on the basis of Bjerrum and Calvin method in methanol-water mixtures. A pH metric method was used for calculation of protonation constants. The effects of solvents on protonation constant have been determined at ionic strength 0.2 M dm-3(NaClO4) and temperature 30±0.1oC under nitrogen atmosphere. FORTRAN (IV) programs were used for calculation of protonation constants and distribution of species like H2L, HL, L in equilibrium state. The logarithm of the protonation constants decrease in aliphatic diamines and increase in aromatic diamines with increase in methanol content in mixed equilibria. The verification of constants are explained on the basis of solute-solvent interaction, solvation, proton transfer processes and dielectric constant of equilibria. Protonation energies have been calculated theoretically using computational methods and these protonation energies for aromatic diamines are higher than aliphatic diamines.
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Men, Yi, Srinivas R. Korupoju, Masato Kurihara, Jun Mizutani, and Hiroshi Nishihara. "Protonation, Deprotonation, and Protonation: Conjugated Photochemical Reactions of Ferrocenylazophenol." Chemistry - A European Journal 11, no. 24 (December 9, 2005): 7322–27. http://dx.doi.org/10.1002/chem.200500713.

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Karlsson, Annika, Anders Broo, and Per Ahlberg. "Regioselective protonation of ferrocene in superacid and formation of a C—H—Fe bond. An experimental and theoretical study of the structure and dynamics of the ferrocenonium ion." Canadian Journal of Chemistry 77, no. 5-6 (June 1, 1999): 628–33. http://dx.doi.org/10.1139/v99-053.

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Protonation of ferrocene has been suggested to take place on carbon (exo-protonation) or iron (endo-protonation). However, experiments have not been conclusive because of interfering exchange reactions. Now low-temperature protonation of ferrocene and [2H10]-ferrocene in superacid and direct observation of the carbocation by 1H NMR at low temperature shows only primary protonation and that it exclusively takes place in an endo-fashion. Studies by DFT calculations using B3LYP hybrid functional indicate the presence of an intramolecular nonlinear C—H—Fe bond and that the proton might be delocalized between carbon and iron. Potential energy barriers for degenerate rearrangements of the hydride bridged carbocation are low, suggesting that the proton might be delocalized between all 10 carbons and iron. The NMR results are consistent with such an interpretation.Key words: regioselective, protonation, superacid, ferrocenonium ion.
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Tóth, Jaroslav, Milan Remko, and Milan Nagy. "Structural Study of Flavonoids and Their Protonated Forms." Zeitschrift für Naturforschung C 51, no. 11-12 (December 1, 1996): 784–90. http://dx.doi.org/10.1515/znc-1996-11-1204.

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The highly successful semiempirical quantum chemical methods AM1 (Austin Model 1) and PM3 (a reparametrization of AM1) were applied to an investigation of the conformational properties of flavone, 3-hydroxyflavone, isoflavone and 2-hydroxyisoflavone. The most stable structures correspond to the non-planar forms with an angle of phenyl ring rotation out of the chromone moiety from a relatively narrow interval (28° - 38°). The mono- and diprotonation of these compounds was also investigated. The prominent site of protonation is the oxygen of the carbonyl group with a protonation enthalpy from the interval of about 900 -920 kJ.mol-1. The protonation enthalpy for protonation of the ether oxygen was computed to be about 200 kJ.mol-1 lower. Adding a second proton to monoprotonated species studied resulted in much lower protonation enthalpies compared to monoprotonation. The geometry of the studied compounds upon protonation changed considerably.
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Dissertations / Theses on the topic "Protonation"

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Al-Rammahi, Thaer Mahdi Madlool. "Protonation of biologically relevant sulfur ligands." Thesis, University of Newcastle upon Tyne, 2017. http://hdl.handle.net/10443/3983.

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A variety of metalloenzymes contain iron-sulfur clusters (e.g. nitrogenases, aconitase and carbon monoxide dehydrogenase) or nickel-thiolate components (e.g. urease, hydrogenase, CO-dehydrogenase (CODH), methyl coenzyme M reductase, Ni-superoxide dismutase, and glyoxalase I) as the catalytic site where substrates are bound and transformed. The ways in which substrates bind and are transformed at these natural iron and nickel sites remain poorly defined. Studying the natural metalloenzymes is inherently difficult because the complexity of the biological systems, but studies of the protonation on synthetic iron-sulfur and nickel-thiolate complexes allow us to establish possible mechanisms of these natural catalysts. This thesis describes the kinetics and mechanisms of the protonation of synthetic Fe-S clusters and simple Ni-thiolate complexes. The first part of the thesis describes the protonation and binding of substrates to synthetic Fe-S-based clusters. The [NBun4]2[Fe4S4X4] (X= SPh or Cl) were synthesised and characterised by 1H NMR spectroscopy. The kinetics of the acid-catalyzed substitution reactions of the teminal chloro-ligands in [Fe4S4Cl4]2- by PhS− to form [Fe4S4(SPh)4]2- in the presence of the acids NHR3+ (R = Me, Prn or Bun) in MeCN have been studied. Although these acids have very similar pKas (17.6–18.4) the reactions show a variety of different kinetics, some of which are inconsistent with a mechanism involving simple protonation of the cluster followed by substitution of a terminal ligand. The observed behaviour is more consistent with the recently proposed mechanism in which a Fe–(μ3-SH) bond elongation/cleavage occurs upon protonation of a μ3-S, and suggests that both the acidity and bulk of the acid is important in the protonation step. Other studies have determined the activation parameters (ΔH‡ and ΔS‡) for both the protonation and substitution steps of the acid-catalyzed substitution reactions of [Fe4S4X4]2− (X = Cl or SEt). A significantly negative ΔS‡ is observed for the substitution steps of both clusters indicating associative pathways. This is inconsistent with earlier interpretation of the kinetics of these reactions (based exclusively on the dependence of the rate on the concentration of nucleophile) and indicates that there is no dissociative substitution mechanism and the pathway VI associated with a zero-order dependence on the concentration of PhS− involves associative substitution with the solvent (MeCN) being the nucleophile. The mechanism of the acid-catalyzed substitution reaction of the terminal chloro-ligands in [NBun4]2 [Fe4S4Cl4] by PhS− in the presence of NHBun3+ involves rate-limiting proton transfer from NHBun3+ to the cluster (k0 = 490 ± 20 dm3 mol−1 s−1). A variety of small molecules and ions (L = substrate = Cl−, Br−, I−, RNHNH2 (R = Me or Ph), Me2NNH2, HCN, NCS−, N3−, ButNC or pyridine) bind to [Fe4S4Cl4]2− and this affects the rate of subsequent protonation of [Fe4S4Cl4(L)]n−. Where the kinetics allow, the equilibrium constants for the substrates binding to [Fe4S4Cl4]2− (KL) and the rates of proton transfer from NHBun3+ to [Fe4S4Cl4(L)]n− (kL0) have been determined. The results indicate the following general features. (i) Bound substrates increase the rate of protonation of the cluster, but the rate increase is modest (kL0/k0 = 1.6 to ≥72). (ii)When KL is small, so is kL0/k0. (iii) Binding substrates which are good σ-donors or good π-acceptors lead to the largest kL0/k0. This behaviour is discussed in terms of the recent proposal that protonation of [Fe4S4Cl4]2− at a μ3-S, is coupled to concomitant Fe–(μ3-SH) bond elongation/cleavage. The clusters [NHR3]2[Fe4S4X4] (X= PhS, R= Et or Bun; X= Cl, R= Bun) were synthesised and characterised by1H NMR spectroscopy and X-ray crystallography. The crystallography shows NH...X interactions between the cation and the cubanoid cluster. Comparison of the cluster dimensions in [NHR3]2[Fe4S4X4] with those reported earlier for [NR′4]2[Fe4S4X4] (R′ = Me, X = PhS; R′ = Et, X = Cl) indicates that N–H...X interactions have a negligible effect on the dimensions of the cluster. The relevance of these structures to understanding where on [Fe4S4X4]2- protonation labilises the cluster to substitution is discussed. The second part of the thesis describes the protonation of [Ni(SAr){PhP(CH2CH2PPh2)2}]+ complexes. The complexes of [Ni(SC6H4R-2)(triphos)]BPh4 (R= Me, MeO or Cl; triphos = PhP(CH2CH2PPh2)2) and [Ni(SC6H3Me2-2,6)(triphos)]BPh4 were synthesised and structurally characterised by X-ray crystallography. The crystallography of [Ni(SC6H4R-2)(triphos)]BPh4 (R= Me or MeO) and [Ni(SC6H3Me2-2,6)(triphos)]BPh4 shows that the geometry at Ni is square planar and Ni is 4-coordinate; but the geometry for [Ni(SC6H4Cl-2)(triphos)]BPh4 is a square-based pyramid with the chloro-group occupying the apical position and Ni is 5-coordinate. The protonation of all synthesised complexes with both lutH+ (lut= 2,6-dimethylpyridine) and picH+ (pic= 4-methylpyridine) in MeCN were studied using stopped-flow spectrophotometry. These studies show that proton transfer reactions are slow and, in many cases, the hydrogen bonded VII precursor intermediate {[Ni(thiolate)(triphos)]...Hlut}2+ can be detected. For [Ni(SC6H4Cl-2)(triphos)]BPh4, the rates of protonation with lutH+ and picH+ are significantly different (kpic/klut = 2 x 103). However, for [Ni(SC6H4R-2)(triphos)]BPh4 (R= H, Me or MeO) and [Ni(SC6H3Me2-2,6)(triphos)]BPh4 complexes, the differences in the rates with lutH+ and picH+ are much less marked (kpic/klut = 2 - 15) because the thiolate ligand can undergo relatively unhindered Ni-S rotation, allowing protonation from either side of the square plane. Protonation by picH+ is substantially faster than with (the more sterically-demanding) lutH+ because proton transfer in this complex must occur through a cavity in the surrounding phenyl substituents of triphos which is too small for lutH+ to penetrate. DFT calculations support this proposal and allow further exploration of the effects that steric interactions between the phenyl groups for triphos and lutH+ have on the rates of proton transfer to [Ni(thiolate)(triphos)]+.
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Tardy-Delassus, Anne. "Protonation asymétrique sur phases solides chirales." Montpellier 2, 1993. http://www.theses.fr/1993MON20092.

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Ce travail est centre sur la protonation enantioselective d'un acide aryl propionique, le ketoprofene. L'originalite de notre approche reside dans l'utilisation de supports insolubles chiraux de type acrylamide dont la chiralite est portee par la maille meme du polymere. Dans ce cas, le ketoprofene lie au support par un bras achiral se trouve entoure de pendants chiraux qui exercent une induction asymetrique supramoleculaire. Ainsi, en utilisant le pendant chiral (r)-methyl benzylamine, nous avons obtenu dans des conditions de controle thermodynamique, le ketoprofene de configuration s avec 60% d'ee. En revanche, les essais de deracemisation du ketoprofene supporte soit en utilisant des bases chirales et des donneurs chiraux de proton soit par double induction, base chirale-pendant chiral, n'ont pas permis d'ameliorer les exces enantiomeriques
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Ravard, Alain. "Déracémisation par protonation et élimination énantiosélectives." Rouen, 1990. http://www.theses.fr/1990ROUES017.

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La déracémisation par protonation énantiosélective a permis la synthèse d'α-aminoacides optiquement enrichis et notamment de la phénylglycine. Nous avons optimisé les paramètres physiques de cette réaction afin d'en améliorer la sélectivité. Nous avons pu ainsi faire progresser l'excès énantiomérique de 57% dans le cas du N-paraméthoxybenzylidène phénylglycinate de méthyle à 70% avec un bien meilleur rendement chimique (95%). Dans une deuxième partie, nous avons appliqué le principe de la déracémisation aux acides t-Bu et Me-4 cyclohexylidène acétiques porteurs d'une chiralité axiale. Une élimination énantiosélective d'un intermédiaire prochiral halogéné par des amidures de lithium chiraux nous a permis de réaliser cette nouvelle synthèse de molécules chirales avec des sélectivités supérieures à 80%. Nous avons mis en évidence certains des paramètres régissant l'énantiosélectivité de la déracémisation et proposé des modèles rationalisant nos résultats. Nous avons aussi montré la possibilité d'un transfert d'une chiralité axiale en une chiralité centrale. De cette façon, nous avons pu accéder à l'isomère endocyclique optiquement enrichi de l'acide t-Bu-4 cyclohexylidène acétique
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Fisher, Stuart John. "The determination of protonation states in proteins." Thesis, University of Manchester, 2010. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.525182.

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Weerasooriya, Neluka Oshadie. "Probing into the mechanism of enolate protonation." Thesis, Queen Mary, University of London, 2003. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.404828.

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Jackman, Hayley. "Bifunctional organic catalysts for asymmetric protonation reactions." Thesis, University of Leeds, 2006. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.432332.

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Swetnam, S. P. "N.M.R. studies of the protonation of pyrimidines." Thesis, Keele University, 1985. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.372826.

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Suggate, Michael James. "Studies towards the enantioselective C-protonation of enolates." Thesis, Queen Mary, University of London, 2005. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.418305.

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Kim, Meekyum Olivia. "Integrating conformational and protonation equilibria in biomolecular modeling." Thesis, University of California, San Diego, 2015. http://pqdtopen.proquest.com/#viewpdf?dispub=3709257.

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Due to high sensitivity of biomolecular systems to the electrostatic environments, coupled treatment of conformational and protonation equilibria is required for an accurate characterization of true ensemble of a given system. The research presented in this dissertation examines the effects of conformational and protonation equilibria of varying extent on diverse aspects of computational biomolecular modeling, as introduced in Chapter 1. The effects of protonation and stereoisomerism of two histidines on virtual screening against the M. tuberculosis enzyme RmlC are presented in Chapter 2. In Chapter 3, conformational flexibility of three M. tuberculosis prenyl synthases is probed using molecular dynamics simulations, with implications for computer-aided drug discovery effort for the new generation antibacterial and antivirulence therapeutics. Chapters 4 and 5 consider the conformational and protonation equilibria simultaneously by utilizing constant pH molecular dynamics, in which fluctuations in both conformation and protonation state are possible. In Chapter 4, a computational protocol utilizing constant pH molecular dynamics to compute pH-dependent binding free energies is presented. The methodology is further applied to protein-ligand complexes in Chapter 5, where the thermodynamic linkage between protonation equilibria, conformational dynamics, and inhibitor binding is illustrated.

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Autissen, Valerie. "Studies on the protonation mechanisms of nickel complexes." Thesis, University of Newcastle Upon Tyne, 2005. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.420069.

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Books on the topic "Protonation"

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Germogen, Ale. Protonation: Properties, Applications and Effects. Nova Science Publishers, Incorporated, 2019.

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Protonation: Properties, Applications and Effects. Nova Science Publishers, Incorporated, 2019.

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John Newman Mark.* Glover. Protonation dependent conformational adjustments in DNA. 1991.

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Jebber, Kimberly. Ab initio studies of internal rotation and protonation. 1994.

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Ya, Yin. Hydrolysis of 1-methoxy-and 1-thiomethoxy cyclooctene: reversibility of the carbon-protonation step. 1985.

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Marcoccia, John Frank. An ab initio study on the protonation of simple aliphatic oximes in their ground and low-lying valence excited states. 1993.

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Book chapters on the topic "Protonation"

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Scherer, Philipp O. J., and Sighart F. Fischer. "Protonation Equilibria." In Biological and Medical Physics, Biomedical Engineering, 71–82. Berlin, Heidelberg: Springer Berlin Heidelberg, 2017. http://dx.doi.org/10.1007/978-3-662-55671-9_5.

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Scherer, Philipp, and Sighart F. Fischer. "Protonation Equilibria." In Biological and Medical Physics, Biomedical Engineering, 61–71. Berlin, Heidelberg: Springer Berlin Heidelberg, 2010. http://dx.doi.org/10.1007/978-3-540-85610-8_5.

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Yanagisawa, Akira, and Hisashi Yamamoto. "Protonation of Enolates." In Comprehensive Asymmetric Catalysis I–III, 1295–306. Berlin, Heidelberg: Springer Berlin Heidelberg, 1999. http://dx.doi.org/10.1007/978-3-642-58571-5_12.

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Poisson, Thomas, Sylvain Oudeyer, Jean-François Brière, and Vincent Levacher. "Organocatalyzed Enantioselective Protonation." In Enantioselective Organocatalyzed Reactions I, 67–106. Dordrecht: Springer Netherlands, 2011. http://dx.doi.org/10.1007/978-90-481-3865-4_3.

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Gilson, Michael K. "Modeling protonation equilibria in biomolecules." In Computer Simulation of Biomolecular Systems, 199–222. Dordrecht: Springer Netherlands, 1997. http://dx.doi.org/10.1007/978-94-017-1120-3_7.

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Smith, Robert M., and Arthur E. Martell. "Protonation Values for other Ligands." In Critical Stability Constants, 463–500. Boston, MA: Springer US, 1989. http://dx.doi.org/10.1007/978-1-4615-6764-6_25.

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Khandogin, Jana. "Modeling Protonation Equilibria In Biological Macromolecules." In Challenges and Advances in Computational Chemistry and Physics, 261–84. Dordrecht: Springer Netherlands, 2009. http://dx.doi.org/10.1007/978-1-4020-9956-4_10.

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Millar, D. M., J. M. Garces, D. Hasha, and H. E. Klassen. "Layered Silicates: The Protonation Behavior of KHSi2O5." In Expanded Clays and Other Microporous Solids, 187–206. Boston, MA: Springer US, 1992. http://dx.doi.org/10.1007/978-1-4684-8866-1_9.

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Millar, D. M., J. M. Garces, D. Hasha, and H. E. Klassen. "Layered Silicates: The Protonation Behavior of KHSi2O5." In Expanded Clays and Other Microporous Solids, 187–206. Boston, MA: Springer US, 1992. http://dx.doi.org/10.1007/978-1-4615-3534-8_9.

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Smith, Robert M., and Arthur E. Martell. "Erratum to: Protonation Values for other Ligands." In Critical Stability Constants, 647. Boston, MA: Springer US, 1989. http://dx.doi.org/10.1007/978-1-4615-6764-6_45.

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Conference papers on the topic "Protonation"

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Eames, Jason, Ewan Boyd, Alastair Hay, Ray Jones, Rachel Stenson, and Michael Suggate. "Enantioselective Protonation of Prostereogenic Enol Equivalents." In The 10th International Electronic Conference on Synthetic Organic Chemistry. Basel, Switzerland: MDPI, 2006. http://dx.doi.org/10.3390/ecsoc-10-01388.

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Marowsky, G., and Y. R. Shen. "Environmental Effects on the Nonlinearities of Organic Molecules." In Nonlinear Optical Properties of Materials. Washington, D.C.: Optica Publishing Group, 1988. http://dx.doi.org/10.1364/nlopm.1988.mb1.

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We have studied the influence of different environmental conditions on the optical nonlinearities of selected organics in Langmuir-Blodgett type monolayers. Changes in the environmental conditions, such as protonation or de-protonation or addition of nonlinear inactive, however highly polarizing molecules to the species under consideration may influence the nonlinearities in quite different ways. Protonation, as the first example, can enhance or decrease the nonlinearity by producing a new chemical species upon inclusion of a proton in the original structure. An increasing rate of protonation will result in the production of more and more molecules of this new subspecies in the monolayer, an effect that can be conveniently monitored by the concomitant changes in linear optical absorption. Alternatively, we would like to show that changes in the environmental symmetry of a monolayer induce a strong nonlinear polarization which is not present in the isolated organic molecule.
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Mishra, Hirdyesh. "PHOTOPHYSICS AND ELECTRONIC STRUCTURE STUDIES OF PROTONATION OF QUINOLINE." In 2020 International Symposium on Molecular Spectroscopy. Urbana, Illinois: University of Illinois at Urbana-Champaign, 2020. http://dx.doi.org/10.15278/isms.2020.wd09.

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Kang, E. T., K. L. Tan, D. Y. Kim, and C. Y. Kim. "Protonation and doping behavior of polypyrrole films and powders." In International Conference on Science and Technology of Synthetic Metals. IEEE, 1994. http://dx.doi.org/10.1109/stsm.1994.834784.

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Vila-Viçosa, Diogo, Pedro Reis, Chris Oostenbrink, and Miguel Machuqueiro. "Enhancing protonation sampling via a pHRE replica exchange scheme." In MOL2NET 2017, International Conference on Multidisciplinary Sciences, 3rd edition. Basel, Switzerland: MDPI, 2017. http://dx.doi.org/10.3390/mol2net-03-05081.

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Maedler, Carsten, Harald Graaf, Sailaja Chada, Mingdi Yan, and Andres La Rosa. "Nanostructure formation driven by local protonation of polymer thin films." In SPIE Europe Microtechnologies for the New Millennium, edited by Achim Wixforth. SPIE, 2009. http://dx.doi.org/10.1117/12.821466.

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Ichinose, S., and T. Minato. "Electron transport process induced by protonation in alpha-helical protein." In Slow dynamics in condensed matter. AIP, 1992. http://dx.doi.org/10.1063/1.42417.

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8

MURGA, LEONEL F., YING WEI, and MARY JO ONDRECHEN. "COMPUTED PROTONATION PROPERTIES: UNIQUE CAPABILITIES FOR PROTEIN FUNCTIONAL SITE PREDICTION." In Proceedings of the 18th International Conference. PUBLISHED BY IMPERIAL COLLEGE PRESS AND DISTRIBUTED BY WORLD SCIENTIFIC PUBLISHING CO., 2007. http://dx.doi.org/10.1142/9781860949852_0010.

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9

Bhutani, Garima, Pratima Verma, Kausik Chattopadhyay, and Arijit K. De. "Ultrafast Dynamics of “Reverse Protonation” in the Red Fluorescent Protein mKeima." In International Conference on Ultrafast Phenomena. Washington, D.C.: Optica Publishing Group, 2022. http://dx.doi.org/10.1364/up.2022.w4a.1.

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We investigate ultrafast dynamics of excited-state proton transfer coupled with cis-trans isomerization in the red fluorescent protein mKeima, elucidating the mechanism of “reverse protonation” and how it is fine-tuned by pH of the local environment.
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Gerwert, Klaus. "Protein Reactions Monitored by Time-Resolved Step-Scan FTIR Spectroscopy." In Fourier Transform Spectroscopy. Washington, D.C.: Optica Publishing Group, 2022. http://dx.doi.org/10.1364/fts.1997.fwa.2.

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Time-resolved step-scan FTIR difference-specroscopy allows monitoring of protein-reactions with nanoseconds time-resolution at atomic resolution. The technique monitors reaction of prosthetic groups, like cis-trans isomerization, movements of the protein backbone and protonation changes or H-bond changes of aminoacids.
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Reports on the topic "Protonation"

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Dixon, David Adams. Final Report: The Impact of Carbonate on Surface Protonation, Electron Transfer and Crystallization Reactions in Iron Oxide Nanoparticles and Colloids. Office of Scientific and Technical Information (OSTI), July 2013. http://dx.doi.org/10.2172/1086712.

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