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Artykuły w czasopismach na temat „Spectroscopic. kinetic and mechanistic study”

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Data publikacji: 31 sierpnia 2024

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1

Orzeł, Łukasz, Maria Oszajca, Justyna Polaczek, Dominika Porębska, Rudi van Eldik, and Grażyna Stochel. "High-Pressure Mechanistic Insight into Bioinorganic NO Chemistry." Molecules 26, no. 16 (2021): 4947. http://dx.doi.org/10.3390/molecules26164947.

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Pressure is one of the most important parameters controlling the kinetics of chemical reactions. The ability to combine high-pressure techniques with time-resolved spectroscopy has provided a powerful tool in the study of reaction mechanisms. This review is focused on the supporting role of high-pressure kinetic and spectroscopic methods in the exploration of nitric oxide bioinorganic chemistry. Nitric oxide and other reactive nitrogen species (RNS) are important biological mediators involved in both physiological and pathological processes. Understanding molecular mechanisms of their interact

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2

Kallesha, Nichhapurada, Ningegowda Prasad, N. Shivakumara, and Kereyagalahally H. Narasimhamurthy. "Oxidation of Cinacalcet Hydrochloride by Chloramine-B in Acid Medium: A Kinetic and Mechanistic Study." Asian Journal of Chemistry 33, no. 9 (2021): 2065–68. http://dx.doi.org/10.14233/ajchem.2021.23292.

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Kinetic and mechanistic study of cinacalcet hydrochloride by chloramine-B (CAB) in HCl medium at 308 K was the aim of this work. Analyzed the reaction at five different temperatures and determined the thermodynamic parameters using Arrhenius plots. The reaction had a stoichiometry of 1:2 and characterized the oxidation product using chromatographic and spectroscopic methods. The rate law is deduced from the marked effects, which were accompanied by plausible mechanisms.

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Wallington, Timothy J., James C. Ball, Ole J. Nielsen, and Elzbieta Bartkiewicz. "Spectroscopic, kinetic and mechanistic study of fluoromethylperoxo radicals in the gas phase at 298 K." Journal of Physical Chemistry 96, no. 3 (1992): 1241–46. http://dx.doi.org/10.1021/j100182a041.

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Delbaere, S., J. C. Micheau, J. Berthet, and G. Vermeersch. "Contribution of NMR spectroscopy to the mechanistic understanding of photochromism." International Journal of Photoenergy 6, no. 4 (2004): 151–58. http://dx.doi.org/10.1155/s1110662x04000194.

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Along with classical UV-Visible spectroscopy allowing for the determination of intrinsic properties(λmax,ε), multinuclear NMR spectroscopy is a promising and useful tool for studying photochromic reactions. UV irradiation of the initial structure leads to the formation of photoproducts, which can be structurally identified by 1D and 2D NMR experiments. The kinetics of thermal back reaction are monitored by directly and separately measuring the concentrations of each long-living species at regular time intervals in NMR spectra. A plausible reaction mechanism can therefore be proposed. Based on

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5

Sultan, Salah M., and Edmund Bishop. "Mechanistic study and kinetic determination of vitamin C." Journal of Pharmaceutical and Biomedical Analysis 8, no. 4 (1990): 345–51. http://dx.doi.org/10.1016/0731-7085(90)80048-t.

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Kallesha N, Prasad N, Mahadeva Swamy M, and Gnanendra C.R. "The kinetic and mechanistic study of levetiracetam oxidation with chloramine-B in acid medium." World Journal of Biology Pharmacy and Health Sciences 13, no. 1 (2023): 331–38. http://dx.doi.org/10.30574/wjbphs.2023.13.1.0041.

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The medicine levetiracetam, marketed under the brand name Keppra, is approved by the Food and Drug Administration, used to treat seizures. It belongs to a class of drug known as anticonvulsants. The current work uses sodium-N-chloro-benzene sulfonamide or chloramine-B to evaluate the kinetics and mechanistic of levetiracetam at 308 K in HCl medium. (CAB). The reaction has a first-order dependence on [CAB]0 and [substrate]0, as well as a fractional-order dependence on the concentration of [HCl]. Changes in ionic strength or the adding of benzene sulfonamide have no effect on the rate. We looked

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7

Saifuddin, Md, Suho Kim, Abdul Aziz, and Kwang Soo Kim. "Mechanistic Study of Phosphorus Adsorption onto Iron Z-A: Spectroscopic and Experimental Approach." Applied Sciences 9, no. 22 (2019): 4897. http://dx.doi.org/10.3390/app9224897.

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Iron was incorporated into an LTA type zeolite using the sol-gel hydrothermal method to form Iron-zeolite-A (Iron-Z-A), and its phosphate adsorption-desorption efficiency were analyzed. Samples were characterized by EDS, SEM, XRD, EPR, FT-IR XPS, and Raman to ensure the apt synthesis of Iron-Z-A and to interpret the mechanism of adsorption-desorption of PO43− in an aqueous solution. EPR and XPS analysis confirmed that the iron was doped as Fe3+ in the LTA structure. The XPS peak shift (Fe-2p), FT-IR band shift, and intensity change (–OH) confirmed the existence of the ligand exchange mechanism

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Tellers, David M., and Robert G. Bergman. "Mechanistic study of ligand substitution processes in TpIr(III) complexes." Canadian Journal of Chemistry 79, no. 5-6 (2001): 525–28. http://dx.doi.org/10.1139/v00-162.

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The synthesis of the cationic hydridotris(pyrazolyl)borate iridium(III) complex [Tp(PMe3)IrMe(ClCH2Cl)][BArf] (2-CH2Cl2) is reported. Spectroscopic characterization of 2-CH2Cl2 in CH2Cl2 solution indicates that exchange of bound CH2Cl2 with free CH2Cl2 is slow on the NMR time scale. Under 50 atm (1 atm = 101.325 kPa) of N2, the CH2Cl2 in 2-CH2Cl2 is displaced by N2 to yield [Tp(PMe3)IrMe(N2)][BArf] (2-N2). The stronger nucleophile CH3CN reacts rapidly with 2-CH2Cl2 to produce [Tp(PMe3)IrMe(NCCH3)][BArf] (4). A kinetic study was performed on CH2Cl2 substitution in 2-CH2Cl2 by CD3CN. The data ar

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9

Cho, Hyejin, and Wansik Cha. "Rapid Hydrolysis of Organophosphates Induced by U(IV) Nanoparticles: A Kinetic and Mechanistic Study using Spectroscopic Analysis." Colloids and Interfaces 3, no. 4 (2019): 63. http://dx.doi.org/10.3390/colloids3040063.

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The heterogeneous interactions of colloidal U particles with organophosphates, leading to the formation of U-phosphate minerals, can retard the migration of U in contaminated sites. Here, we studied the hydrolytic mechanism of p-nitrophenyl phosphate (NPP) on the surfaces of tetravalent uranium nanoparticles (U(IV)NPs), resulting in the formation of U-phosphate precipitates. Our study shows that the reaction rate of NPP hydrolysis is significantly enhanced by U(IV)NPs through a multi-step heterogeneous reaction on the particle surfaces. The end products of the reaction were identified as U(IV)

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10

Iuga, Cristina, C. Ignacio Sainz-Díaz, and Annik Vivier-Bunge. "Hydroxyl radical initiated oxidation of formic acid on mineral aerosols surface: a mechanistic, kinetic and spectroscopic study." Environmental Chemistry 12, no. 2 (2015): 236. http://dx.doi.org/10.1071/en14138.

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Environmental context The presence of air-borne mineral dust containing silicates in atmospheric aerosols should be considered in any exploration of volatile organic compound chemistry. This work reports the mechanisms, relative energies and kinetics of free-radical reactions with formic acid adsorbed on silicate surface models. We find that silicate surfaces are more likely to act as a trap for organic radicals than to have a catalytic effect on their reactions. Abstract Heterogeneous reactions of atmospheric volatile organic compounds on aerosol particles may play an important role in atmosp

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WALLINGTON, T. J., J. C. BALL, O. J. NIELSEN, and E. BARTKIEWICZ. "ChemInform Abstract: Spectroscopic, Kinetic, and Mechanistic Study of CH2FO2 Radicals in the Gas Phase at 298 K." ChemInform 23, no. 21 (2010): no. http://dx.doi.org/10.1002/chin.199221107.

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Fawzy, Ahmed, Saleh A. Ahmed, Ismail I. Althagafi, Moataz H. Morad, and Khalid S. Khairou. "Kinetics and Mechanistic Study of Permanganate Oxidation of Fluorenone Hydrazone in Alkaline Medium." Advances in Physical Chemistry 2016 (July 25, 2016): 1–9. http://dx.doi.org/10.1155/2016/4526578.

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The oxidation kinetics of fluorenone hydrazone (FH) using potassium permanganate in alkaline medium were measured at a constant ionic strength of 0.1 mol dm−3 and at 25°C using UV/VIS spectrophotometer. A first-order kinetics has been monitored in the reaction of FH with respect to [permanganate]. Less-than-unit order dependence of the reaction on [FH] and [OH−] was revealed. No pronounced effect on the reaction rate by increasing ionic strength was recorded. Intervention of free radicals was observed in the reaction. The reaction mechanism describing the kinetic results was illustrated which

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13

Khosla, Ekta, Satindar Kaur, and Pragnesh N. Dave. "Mechanistic Study of Adsorption of Acid Orange-7 over Aluminum Oxide Nanoparticles." Journal of Engineering 2013 (2013): 1–8. http://dx.doi.org/10.1155/2013/593534.

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The adsorption behavior of acid orange-7 (AO-7) on aluminum oxide nanoparticles (ANP) generated by sol-gel method has been investigated to understand the physicochemical process involved and to explore the potential use of nano particles in textile effluent treatment and management. The results revealed that ANP can remove AO-7 dye up to 97.6 mg/g at 303 K. The adsorption process is found to be pH dependent and the optimum pH obtained is 2.0. The equilibrium was established in 1 h. Langmuir, Freundlich, and Temkin Isotherm models were applied on the system. Scanning electron microscopic analys

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14

Carre, C., C. Decker, J. P. Fouassier, and D. J. Lougnot. "Lasers and Photopolymers." Laser Chemistry 10, no. 5-6 (1990): 349–66. http://dx.doi.org/10.1155/1990/74727.

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A general outline of new applications of lasers in polymer photochemistry is given. The fields covered include the kinetic and mechanistic study of various elementary processes (in solution model compounds) by laser spectroscopies and the extension of this approach to practical systems (solids or in polymerization samples, thin films) by holographic techniques or real-time infrared spectroscopy. Stress is laid on the great importance of laser techniques in understanding the fundamental aspects of the processes involved in polymer photochemistry.

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15

Chen, Mei, Katie Won, Robert S. McDonald, and Paul H. M. Harrison. "Regioselectivity of glycoluril-directed Claisen condensations — A kinetic and mechanistic study of substituent effects in the nucleophilic acyl group." Canadian Journal of Chemistry 84, no. 9 (2006): 1188–96. http://dx.doi.org/10.1139/v06-147.

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The Claisen-like condensation of a series of 1-arylacetyl-6-acetyl-3,4,7,8-tetramethylglycolurils (Ar = Ph, p-OMeC6H4, and p-ClC6H4) was studied in preparative experiments and by analysis of kinetic data. The reactions proceeded in virtually quantitative yield and were highly regioselective: the corresponding N-(2′-aryl-3′-ketobutanoyl)-3,4,7,8-tetramethylglycolurils were obtained in all cases, with none of the 4′-aryl regioisomers being detected. Clean bimolecular kinetics were observed for each conversion using UV spectroscopy. Reaction rates followed the order Ar = p-OMeC6H4 < Ph < p-

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16

Marin, Mireia, Miguel A. Miranda, and M. Luisa Marin. "A comprehensive mechanistic study on the visible-light photocatalytic reductive dehalogenation of haloaromatics mediated by Ru(bpy)3Cl2." Catal. Sci. Technol. 7, no. 20 (2017): 4852–58. http://dx.doi.org/10.1039/c7cy01231d.

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Warthegau, Stefan S., Magnus Karlsson, Robert Madsen, Pernille Rose Jensen, and Sebastian Meier. "Kinetic and Mechanistic Study of Aldose Conversion to Functionalized Furans in Aqueous Solutions." Catalysts 14, no. 3 (2024): 199. http://dx.doi.org/10.3390/catal14030199.

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Reaction mixtures of naturally abundant aldoses and CH nucleophiles allow for the formation of functionalized furan precursors using low temperatures and metal-free catalysis in aqueous solutions of dilute base catalysts. We employ in situ NMR assays to clarify the mechanism and kinetics of the conversion. Catalysis serves a double role in ring-opening of stable aldoses such as glucose and xylose and facilitating the subsequent reactions with CH acids such as malononitrile or cyanoacetamide. Resultant acyclic products are shown to convert quickly to a monocyclic product prior to the slower for

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18

Konidari, C. N., and M. I. Karayannis. "Kinetic and mechanistic study of the reduction of 2,6-dichlorophenol indophenol by dithionites." Analytica Chimica Acta 224 (1989): 199–210. http://dx.doi.org/10.1016/s0003-2670(00)86559-9.

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Jelić, Dijana, Snežana Papović, Milan Vraneš, et al. "Thermo-Analytical and Compatibility Study with Mechanistic Explanation of Degradation Kinetics of Ambroxol Hydrochloride Tablets under Non-Isothermal Conditions." Pharmaceutics 13, no. 11 (2021): 1910. http://dx.doi.org/10.3390/pharmaceutics13111910.

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Ambroxol hydrochloride (AMB), used as a broncho secretolytic and an expectorant drug, is a semi-synthetic derivative of vasicine obtained from the Indian shrub Adhatoda vasica. It is a metabolic product of bromhexine. The paper provides comprehensive and detailed research on ambroxol hydrochloride, gives information on thermal stability, the mechanism of AMB degradation, and data of practical interest for optimization of formulation that contains AMB as an active compound. Investigation on pure AMB and in commercial formulation Flavamed® tablet (FT), which contains AMB as an active compound, w

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20

Steinbauer, Johannes, Christoph Kubis, Ralf Ludwig, and Thomas Werner. "Mechanistic Study on the Addition of CO2 to Epoxides Catalyzed by Ammonium and Phosphonium Salts: A Combined Spectroscopic and Kinetic Approach." ACS Sustainable Chemistry & Engineering 6, no. 8 (2018): 10778–88. http://dx.doi.org/10.1021/acssuschemeng.8b02093.

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Sulzbach, Michael, and Thorsten Geisler. "The Replacement of Celestine (SrSO4) by Strontianite (SrCO3) in Aqueous Solution Studied In Situ and in Real Time Using Fluid-Cell Raman Spectroscopy." Minerals 14, no. 2 (2024): 164. http://dx.doi.org/10.3390/min14020164.

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The replacement of celestine (SrSO4) by strontianite (SrCO3) has extensively been studied over the past few decades. It also represents an ideal reaction to in situ study the kinetic and fundamental mechanistic details of mineral replacement reactions in aqueous solutions via fluid-cell Raman spectroscopy. This technique allows us to study the reaction process in real time by continuously analysing the solution or by imaging the solid–liquid interface where the reaction takes place and while the replacement process is ongoing. Two sets of experiments were conducted, the first of which was carr

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Carpentier, Philippe, Antoine Royant, Jérémy Ohana, and Dominique Bourgeois. "Advances in spectroscopic methods for biological crystals. 2. Raman spectroscopy." Journal of Applied Crystallography 40, no. 6 (2007): 1113–22. http://dx.doi.org/10.1107/s0021889807044202.

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A Raman microspectrophotometer is described that allows the spectroscopic investigation of protein crystals under exactly the same conditions as those used for X-ray data collection. The concept is based on the integration of the Raman excitation/collection optics into a microspectrophotometer built around a single-axis diffractometer and a cooling device. It is shown that Raman spectra of outstanding quality can be recorded from crystallized macromolecules under non-resonant conditions. It is proposed that equipment developed in the context of macromolecular cryocrystallography, such as commo

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R. Osunkwo, C., I. U. Nkole, A. D. Onu, and S. O. Idris. "Electron transfer reaction of Tris(1,10-phenanthroline) cobalt(III) complex [Co(phen)3]3+ and thiosulphate ion (S2O32−) in an aqueous acidic medium." International Journal of Advanced Chemistry 6, no. 1 (2018): 121. http://dx.doi.org/10.14419/ijac.v6i1.11326.

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The electron transfer reaction of Tris (1,10-phenanthroline)cobalt(III) complex by thiosulphate ion has been studied in an aqueous acidic medium. Stoichiometric determination shows that for one mole of the oxidant that was reduced, one mole of the reductant was consumed; the reaction conforms to an overall equation: 2[Co(phen)3]3+ + 2S2O32− → 2[Co(phen)3]2+ + S4O62− Kinetics study carried out under pseudo-first order condition shows that the reaction proceeded via a one-way acid-dependent pathway and was third order overall; zero order with respect to the oxidant concentration, second order wi

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Fazal, Aliya, and Uzaira Rafique. "Mechanistic study of Cd adsorption through esterification and acetylation of novel biosorbent Gallus Domesticus chemically modified biomaterial for heavy metal." Journal of Water Reuse and Desalination 4, no. 2 (2013): 76–84. http://dx.doi.org/10.2166/wrd.2013.033.

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The inevitable expansion of industries for development is at the cost of release of industrial pollutants into the natural reservoirs of the environment. Biosorption is becoming an important component in the integrated approach to the treatment of aqueous effluents. The adsorption properties of Gallus Domesticus are determined as a function of batch operating conditions including contact time, solution initial concentration and temperature. Metal ion fixed Fourier transform infrared spectroscopy spectrum depicted amine, alcohol, carboxyl, and carbonate ion as active sites for metal sorption. A

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Alsaedi, Mossab K., Ghada K. Alothman, Mohammed N. Alnajrani, et al. "Antibiotic Adsorption by Metal-Organic Framework (UiO-66): A Comprehensive Kinetic, Thermodynamic, and Mechanistic Study." Antibiotics 9, no. 10 (2020): 722. http://dx.doi.org/10.3390/antibiotics9100722.

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Bacterial antibiotic resistance has been deemed one of the largest modern threats to human health. One of the root causes of antibiotic resistance is the inability of traditional wastewater management techniques, such as filtration and disinfection, to completely eliminate residual antibiotics from domestic and industrial effluents. In this study, we examine the ability of UiO-66; a metal-organic framework (MOF); in removing the antibiotic Doxycycline from aqueous environments. This study’s findings suggest that UiO-66 was able to remove nearly 90% of the initial Doxycycline concentration. To

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Wan, Chin-Feng, Wei-Hong Chen, Cheng-Ta Chen, Margaret Dah-Tsyr Chang, Lee-Chiang Lo та Yaw-Kuen Li. "Mutagenesis and mechanistic study of a glycoside hydrolase family 54 α-L-arabinofuranosidase from Trichoderma koningii". Biochemical Journal 401, № 2 (2006): 551–58. http://dx.doi.org/10.1042/bj20060717.

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A GH (glycoside hydrolase) family 54 α-L-arabinofuranosidase from Trichoderma koningii G-39 (termed Abf) was successfully expressed in Pichia pastoris and purified to near homogeneity by cation-exchange chromatography. To determine the amino acid residues essential for the catalytic activity of Abf, extensive mutagenesis of 24 conserved glutamate and aspartate residues was performed. Among the mutants, D221N, E223Q and D299N were found to decrease catalytic activity significantly. The kcat values of the D221N and D299N mutants were 7000- and 1300-fold lower respectively, than that of the wild-

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Hortelano, Carlos, Marta Ruiz-Bermejo, and José L. de la de la Fuente. "Kinetic Study of the Effective Thermal Polymerization of a Prebiotic Monomer: Aminomalononitrile." Polymers 15, no. 3 (2023): 486. http://dx.doi.org/10.3390/polym15030486.

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Aminomalononitrile (AMN), the HCN formal trimer, is a molecule of interest in prebiotic chemistry, in fine organic synthesis, and, currently, in materials science, mainly for bio-applications. Herein, differential scanning calorimetry (DSC) measurements by means of non-isothermal experiments of the stable AMN p-toluenesulfonate salt (AMNS) showed successful bulk AMN polymerization. The results indicated that this thermally stimulated polymerization is initiated at relatively low temperatures, and an autocatalytic kinetic model can be used to appropriately describe, determining the kinetic trip

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Nelson, Peter N., and Willem H. Mulder. "Thermodynamic and kinetic models for acid chloride formation: A computational and theoretical mechanistic study." Journal of Molecular Graphics and Modelling 112 (May 2022): 108139. http://dx.doi.org/10.1016/j.jmgm.2022.108139.

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Kaminskaia, Natalia V., G. Matthias Ullmann, D. Bruce Fulton, and Nenad M. Kostić. "Spectroscopic, Kinetic, and Mechanistic Study of a New Mode of Coordination of Indole Derivatives to Platinum(II) and Palladium(II) Ions in Complexes." Inorganic Chemistry 39, no. 22 (2000): 5004–13. http://dx.doi.org/10.1021/ic000254l.

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Kourtelesis, Marios, Kalliopi Kousi, and Dimitris I. Kondarides. "CO2 Hydrogenation to Methanol over La2O3-Promoted CuO/ZnO/Al2O3 Catalysts: A Kinetic and Mechanistic Study." Catalysts 10, no. 2 (2020): 183. http://dx.doi.org/10.3390/catal10020183.

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The hydrogenation of CO2 to methanol has been investigated over CuO/ZnO/Al2O3 (CZA) catalysts, where a part of the Al2O3 (0, 25, 50, 75, or 100%) was substituted by La2O3. Results of catalytic performance tests obtained at atmospheric pressure showed that the addition of La2O3 generally resulted in a decrease of CO2 conversion and in an increase of methanol selectivity. Optimal results were obtained for the CZA-La50 catalyst, which exhibited a 30% higher yield of methanol, compared to the un-promoted sample. This was attributed to the relatively high specific surface area and porosity of this

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LI, Yaw-Kuen, Jiunly CHIR та Fong-Yi CHEN. "Catalytic mechanism of a family 3 β-glucosidase and mutagenesis study on residue Asp-247". Biochemical Journal 355, № 3 (2001): 835–40. http://dx.doi.org/10.1042/bj3550835.

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A family 3 β-glucosidase (EC 3.2.1.21) from Flavobacterium meningosepticum has been cloned and overexpressed. The mechanistic action of the enzyme was probed by NMR spectroscopy and kinetic investigations, including substrate reactivity, secondary kinetic isotope effects and inhibition studies. The stereochemistry of enzymic hydrolysis was identified as occurring with the retention of an anomeric configuration, indicating a double-displacement reaction. Based on the kcat values with a series of aryl glucosides, a Bronsted plot with a concave-downward shape was constructed. This biphasic behavi

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Liu, Fangwei, Wenchao Lu, Xunlong Yin, and Jianbo Liu. "Mechanistic and Kinetic Study of Singlet O2 Oxidation of Methionine by On-Line Electrospray Ionization Mass Spectrometry." Journal of The American Society for Mass Spectrometry 27, no. 1 (2015): 59–72. http://dx.doi.org/10.1007/s13361-015-1237-4.

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Ullah, Shaheed, Michael L. McKee, and Alexander Samokhvalov. "Interaction of a Porphyrin Aluminum Metal–Organic Framework with Volatile Organic Sulfur Compound Diethyl Sulfide Studied via In Situ and Ex Situ Experiments and DFT Computations." Nanomaterials 13, no. 22 (2023): 2916. http://dx.doi.org/10.3390/nano13222916.

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The study presents complementary experiments and quantum chemical DFT computations to reveal the molecular-level interactions of an advanced nanomaterial, porphyrin aluminum metal–organic framework (compound 2), with the volatile organic sulfur compound diethyl sulfide (DES). First, the intermolecular host–guest interactions during the sorption of DES were explored under dynamic conditions, using the vapor of DES in flowing air. The in situ time-dependent ATR-FTIR spectroscopy in a controlled atmosphere was significantly improved though the use of a new facilely built spectroscopic mini-chambe

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Gogoi, P., M. Das, P. Begum, and T. K. Maji. "Nature of sorption of trivalent arsenic on novel iron oxyhydroxide stabilized starch/OMMT composite: A mechanistic approach." Journal of Water and Health 19, no. 2 (2021): 336–50. http://dx.doi.org/10.2166/wh.2021.267.

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Abstract Materials which are chemically, energetically and operationally acceptable for arsenic water treatment are highly required. In this study a hybrid material (SICC) of aminated starch, oxyhydroxide of iron and OMMT clay has been demonstrated for arsenic treatment. This new material was highly efficient in arsenic water treatment which could reduce arsenic concentration far below detection limits. All binding interactions during material preparation and arsenic sorption were exclusively characterized with FT-IR, XRD and other spectroscopic tools. A molecular modeling on the basis of dens

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Cellupica, Edoardo, Aureliano Gaiassi, Ilaria Rocchio, et al. "Mechanistic and Structural Insights on Difluoromethyl-1,3,4-Oxadiazole Inhibitors of HDAC6." International Journal of Molecular Sciences 25, no. 11 (2024): 5885. http://dx.doi.org/10.3390/ijms25115885.

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Histone deacetylase 6 (HDAC6) is increasingly recognized for its potential in targeted disease therapy. This study delves into the mechanistic and structural nuances of HDAC6 inhibition by difluoromethyl-1,3,4-oxadiazole (DFMO) derivatives, a class of non-hydroxamic inhibitors with remarkable selectivity and potency. Employing a combination of nuclear magnetic resonance (NMR) spectroscopy and liquid chromatography-mass spectrometry (LC-MS) kinetic experiments, comprehensive enzymatic characterizations, and X-ray crystallography, we dissect the intricate details of the DFMO-HDAC6 interaction dy

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Theologides, C. P., G. G. Olympiou, P. G. Savva, et al. "Novel catalytic and mechanistic studies on wastewater denitrification with hydrogen." Water Science and Technology 69, no. 3 (2013): 680–86. http://dx.doi.org/10.2166/wst.2013.781.

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The present work reports up-to-date information regarding the reaction mechanism of the catalytic hydrogenation of nitrates in water media. In the present mechanistic study, an attempt is made, for the first time, to elucidate the crucial role of several catalysts and reaction parameters in the mechanism of the NO3−/H2 reaction. Steady-state isotopic transient kinetic analysis (SSITKA) experiments coupled with ex situ diffuse reflectance infrared Fourier transform spectroscopy (DRIFTS) were performed on supported Pd-Cu catalysts for the NO3−/H2 and NO3−/H2/O2 reactions. The latter experiments

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Zhao, Jun, Huihua Luo, Yutong Liu, et al. "Mechanistic Study and Application of Anionic/Cationic Combination Collector ST-8 for the Flotation of Spodumene." Minerals 13, no. 9 (2023): 1177. http://dx.doi.org/10.3390/min13091177.

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The mechanism of anionic/cationic combination collector ST-8 for the efficient separation of spodumene and feldspar was investigated by flotation tests, surface tension measurements, zeta potential measurements and infrared spectroscopy analysis. The flotation results indicated that when the optimum molar ratio of sodium oleate and dodecylamine was 6:1–10:1 and pH = 8.5, the recovery of spodumene reached a maximum of 80% and that of feldspar reached about 24.5%. Zeta potential measurements showed that the negative shift of the kinetic potential on the surface of spodumene was much stronger tha

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Lesanavičius, Mindaugas, Alessandro Aliverti, Jonas Šarlauskas, and Narimantas Čėnas. "Reactions of Plasmodium falciparum Ferredoxin:NADP+ Oxidoreductase with Redox Cycling Xenobiotics: A Mechanistic Study." International Journal of Molecular Sciences 21, no. 9 (2020): 3234. http://dx.doi.org/10.3390/ijms21093234.

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Ferredoxin:NADP+ oxidoreductase from Plasmodium falciparum (PfFNR) catalyzes the NADPH-dependent reduction of ferredoxin (PfFd), which provides redox equivalents for the biosynthesis of isoprenoids and fatty acids in the apicoplast. Like other flavin-dependent electrontransferases, PfFNR is a potential source of free radicals of quinones and other redox cycling compounds. We report here a kinetic study of the reduction of quinones, nitroaromatic compounds and aromatic N-oxides by PfFNR. We show that all these groups of compounds are reduced in a single-electron pathway, their reactivity increa

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van Niekerk, Daniël M. E., Theodor E. Geswindt, and Wilhelmus J. Gerber. "Kinetic UV–Vis Spectroscopic and DFT Mechanistic Study of the Redox Reaction of [OsVIIIO4(OH)n]n− (n = 1, 2) and Methanol in a Basic Aqueous Matrix." Inorganic Chemistry 60, no. 2 (2021): 782–97. http://dx.doi.org/10.1021/acs.inorgchem.0c02799.

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Mecheri, Razika, Ammar Zobeidi, Salem Atia, et al. "Modeling and Optimizing the Crystal Violet Dye Adsorption on Kaolinite Mixed with Cellulose Waste Red Bean Peels: Insights into the Kinetic, Isothermal, Thermodynamic, and Mechanistic Study." Materials 16, no. 11 (2023): 4082. http://dx.doi.org/10.3390/ma16114082.

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In this study, a new eco-friendly kaolinite–cellulose (Kaol/Cel) composite was prepared from waste red bean peels (Phaseolus vulgaris) as a source of cellulose to serve as a promising and effective adsorbent for the removal of crystal violet (CV) dye from aqueous solutions. Its characteristics were investigated through the use of X-ray diffraction, Fourier-transform infrared spectroscopy, scanning electron microscopy, energy-dispersive X-ray spectroscopy, and zero-point of charge (pHpzc). The Box–Behnken design was used to improve CV adsorption on the composite by testing its primary affecting

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Chen, Xiaoxiao, Yanhui Sun, Youxiao Qi, Lin Liu, Fei Xu, and Yan Zhao. "Mechanistic and Kinetic Investigations on the Ozonolysis of Biomass Burning Products: Guaiacol, Syringol and Creosol." International Journal of Molecular Sciences 20, no. 18 (2019): 4492. http://dx.doi.org/10.3390/ijms20184492.

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The lignin pyrolysis products generated by biomass combustion make an essential contribution to the formation of secondary organic aerosols (SOAs). The ozone-initiated oxidation of guaiacol, syringol and creosol, major constituents of biomass burning, were investigated theoretically by using the density functional theory (DFT) method at the MPWB1K/6-311+G(3df,2p)//MPWB1K/6-31+G(d,p) level. Six primary addition reaction pathways and further decomposition routes with corresponding thermodynamic values were proposed. The Criegee intermediates can be excited by small molecules, such as NOx, H2O in

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Kabanda, Mwadham M., and Indra Bahadur. "A DFT and MP2 mechanistic and kinetic study on hypohalogenation reaction of cysteine and N-acetylcysteine in aqueous solution." Journal of Molecular Liquids 349 (March 2022): 118191. http://dx.doi.org/10.1016/j.molliq.2021.118191.

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Moffat, Karen A., Gordon K. Hamer, and Michael K. Georges. "Stable Free Radical Polymerization Process: Kinetic and Mechanistic Study of the Thermal Decomposition of MB-TMP Monitored by NMR and ESR Spectroscopy." Macromolecules 32, no. 4 (1999): 1004–12. http://dx.doi.org/10.1021/ma981155i.

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Rout, Sudhanshu Sekhar, Durga Madhab Kar, Sudam Chandra Si, Ajaya Kumar Patnaik, and Prakash Mohanty. "Reaction of Carbidopa with cis-[Cr(C2O4)2(H2O)2]− in Aqueous Medium: A Kinetic, Mechanistic and Antiparkinsonian Study of the Product Complex." Asian Journal of Chemistry 32, no. 7 (2020): 1653–59. http://dx.doi.org/10.14233/ajchem.2020.22633.

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For the treatment of Parkinson′s disease, the second most common neurodegenerative disorder, requires a combination of levodopa with a peripheral decarboxylase inhibitor, such as carbidopa which provides a symptomatic relief to patients. Reaction of carbidopa with cis-[Cr(C2O4)2(H2O)2]– has been carried out in aqueous medium over the range 35 ≤ t ≤ 50 ºC, 4.0 ≤ pH ≤ 6.0 , 3.75 × 10-3 mol dm-3 ≤ [carbidopa] ≤ 9.38 × 10-3 mol dm-3, I (KNO3) = 0.1 mol dm-3. There is outersphere association between cis-[Cr(C2O4)2(H2O)2]– and conjugate base of carbidopa followed by first chelation. The characteriza

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Birben, Nazmiye Cemre, Ezgi Lale, Renato Pelosato, Nazli Turkten, Isabella Natali Sora, and Miray Bekbolet. "Photocatalytic Bactericidal Performance of LaFeO3 under Solar Light in the Presence of Natural Organic Matter: Spectroscopic and Mechanistic Evaluation." Water 13, no. 19 (2021): 2785. http://dx.doi.org/10.3390/w13192785.

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Solar photocatalytic inactivation (SPCI) of E. coli as the indicator microorganism using LaFeO3 (LF) has already been investigated under various experimental conditions, excluding any role of natural organic matter (NOM). However, comprehensive information about the behavior of E. coli and its inactivation mechanism in the presence of NOM, as well as the behavior of NOM components via solar photocatalysis using LF as a photocatalyst, has prime importance in understanding real natural water environments. Therefore, in this study, further assessment was devoted to explore the influence of variou

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Dai, Huidong, Seongmin Bak, Luisa Larissa Arnaldo Gomes, et al. "Mechanistic Understanding of the Role of Bis(4-nitrophenyl) Carbonate (BNC) As Additive on the Solvation Structure and Polysulfides Shuttling Effect Towards Capacity Improvement in Lithium-Sulfur Batteries." ECS Meeting Abstracts MA2024-01, no. 2 (2024): 196. http://dx.doi.org/10.1149/ma2024-012196mtgabs.

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The lithium-sulfur (Li-S) batteries are considered as one of the most promising devices for next-generation energy storage applications, owing to its exceptional theoretical capacity and energy density. However, persistent challenges have hampered its performance, notably the sluggish polysulfides conversion kinetics and the polysulfides shuttling phenomenon. These issues lead to irreversible active material loss, rapid capacity decay, low coulombic efficiency, and a limited cycle life. This study demonstrates that bis(4-nitrophenyl) carbonate (BNC) can serve as an effective agent in anchoring

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Wang, Hetong, Chenpeng Zuo, Siyuan Zheng, Yanhui Sun, Fei Xu, and Qingzhu Zhang. "Mechanistic and Kinetic Study on Self-/Cross- Condensation of PCTA/DT Formation Mechanisms from Three Types of Radicals of 2,4-Dichlorothiophenol." International Journal of Molecular Sciences 20, no. 11 (2019): 2623. http://dx.doi.org/10.3390/ijms20112623.

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Chlorothiophenols (CTPs) are known to be key and direct precursors of polychlorinated thianthrene/dibenzothiophenes (PCTA/DTs). Self/cross-coupling of the chlorothiophenoxy radicals (CTPRs), sulfydryl-substituted phenyl radicals and thiophenoxyl diradicals evolving from CTPs are initial and important steps for PCTA/DT formation. In this study, quantum chemical calculations were carried out to investigate the homogenous gas-phase formation of PCTA/DTs from self/cross-coupling of 2,4-dichlorothiophenoxy radical (R1), 2-sulfydryl-3,5-dichlorophenyl radical (R2) and 3,5-dichlorothiophenoxyl diradi

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Morasch, Barbara, Hans H. Richnow, Bernhard Schink, and Rainer U. Meckenstock. "Stable Hydrogen and Carbon Isotope Fractionation during Microbial Toluene Degradation: Mechanistic and Environmental Aspects." Applied and Environmental Microbiology 67, no. 10 (2001): 4842–49. http://dx.doi.org/10.1128/aem.67.10.4842-4849.2001.

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ABSTRACT Primary features of hydrogen and carbon isotope fractionation during toluene degradation were studied to evaluate if analysis of isotope signatures can be used as a tool to monitor biodegradation in contaminated aquifers. D/H hydrogen isotope fractionation during microbial degradation of toluene was measured by gas chromatography. Per-deuterated toluene-d 8 and nonlabeled toluene were supplied in equal amounts as growth substrates, and kinetic isotope fractionation was calculated from the shift of the molar ratios of toluene-d 8 and nondeuterated toluene. The D/H isotope fractionation

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Zhong, Lin, Qi He, Fangfang Chen, Hongtan Wu, and Yu-Pei Chen. "Exploring the inhibitory effects of glutamic acid on melanin production: Mechanistic insights and molecular docking analysis." BIO Web of Conferences 111 (2024): 03018. http://dx.doi.org/10.1051/bioconf/202411103018.

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Glutamic acid is widely recognized as safe and has various applications in the medical and food industries. This study demonstrated its significant inhibition of tyrosinase, acting as a mixed-type inhibitor according to enzymatic kinetic analysis. Fluorescence spectroscopy analysis and investigation of tyrosinase activity under different pH confirmed that glutamic acid induced changes in the protein structure of tyrosinase, leading to its reduced activity through acidification and binding effects. Additionally, glutamic acid was found to inhibit L-DOPA auto-oxidation, thereby preventing furthe

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Mukhametgalieva, Aliya R., Andrey V. Nemtarev, Viktor V. Sykaev, Tatiana N. Pashirova, and Patrick Masson. "Activation/Inhibition of Cholinesterases by Excess Substrate: Interpretation of the Phenomenological b Factor in Steady-State Rate Equation." International Journal of Molecular Sciences 24, no. 13 (2023): 10472. http://dx.doi.org/10.3390/ijms241310472.

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Cholinesterases (ChEs) display a non-michaelian behavior with positively charged substrates. In the steady-state rate equation, the b factor describes this behavior: if b > 1 there is substrate activation, if b < 1 there is substrate inhibition. The mechanistic significance of the b factor was investigated to determine whether this behavior depends on acylation, deacylation or on both steps. Kinetics of human acetyl- (AChE) and butyryl-cholinesterase (BChE) were performed under steady-state conditions and using a time-course of complete substrate hydrolysis. For the hydrolysis of short a

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