Relevant bibliographies by topics / Spectroscopic. kinetic and mechanistic study

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Academic literature on the topic 'Spectroscopic. kinetic and mechanistic study'

Author: Grafiati
Published: 31 August 2024

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Journal articles on the topic "Spectroscopic. kinetic and mechanistic study"

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 interactions with redox-active metal/non-metal centers in biological targets, such as cofactors, prosthetic groups, and proteins, is crucial for the improved therapy of various diseases. The present review is an attempt to demonstrate how the application of high-pressure kinetic and spectroscopic methods can add additional information, thus enabling the mechanistic interpretation of various NO bioinorganic reactions.
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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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4

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 this mechanism, the kinetic analysis and the study of the effects of temperature lead to the determination of the kinetic and thermodynamic parameters (rate coefficients, enthalpy and entropy of activation) of the photochromic system under investigation. This process has been applied to several photochromic families, spirooxazines and benzo- and naphtho-pyrans.
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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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6

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 at the effect at five temperatures. The Arrhenius plots were used to evaluate the thermodynamic parameters. The reaction stoichiometry was found 1:2, and chromatographic and spectroscopic studies anticipated the oxidation product imine. The probable mechanism back up the above-mentioned findings. The relevant rate law has been determined because of all these discoveries.
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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. In the adsorption phase at pH 5, the derivative of phosphate (H2PO4−) acts as a ligand and interacts with OH of Fe on the zeolite surface to form “Iron-zeolite (oxy) hydroxide bound phosphate”. In the desorption phase at pH 10, phosphate ligand is detached and get mixed in the aqueous phase as HPO42−. The EDS data, Si–O–Al band shift and intensity change in FT-IR and XPS peak intensity change proved the contribution of Al in the process of adsorption. The data of adsorption fitted well with the Langmuir’s isotherm and pseudo-second-order kinetic model. The amount of PO43− adsorbed was a function of adsorbent’s surface area regardless of concentration. The amount of PO43− being adsorbed by the metal ions was found to be 382.296 mg PO43−/g Fe and 56.296 mg PO43−/g Al.
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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 are most consistent with dissociative loss of CH2Cl2 to generate the unsaturated species ([Tp(PMe3)IrMe][BArf]) which then reacts with CD3CN to generate [Tp(PMe3)IrMe(NCCD3)][BArf]. Further evidence for a dissociative mechanism was obtained by comparison of ligand substitution rates for the Tp complexes with the analogous TpMe2 complexes (TpMe2 = hydridotris(3,5-dimethylpyrazolyl)borate). The relevance of these substitution experiments to C—H activation by cationic iridium(III) complexes is discussed.Key words: iridium, hydridotris(pyrazolyl)borate, methylene chloride and dinitrogen complexes, dissociative substitution.
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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)NPs-aggregates with surface-bound phosphates. Colloidal properties, such as high positive values of the zeta-potential (>+30 mV) and large surface areas of U(IV)NPs due to their unique cluster structures consisting of relatively small primary UO2(cr)-particles, are correlated with their reactivity towards hydrolysis reaction. Reaction kinetic modeling studies using spectrophotometric data indicated the presence of two distinct reaction intermediates as the surface complexes of NPP on U(IV)NPs. We suggest the involvement of the NPP inner-sphere complexes in the rate-determining step based on the results obtained by analyzing the ATR-FTIR spectra and the surface-enhanced infrared absorption of NPP bound to substrate surfaces.
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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 atmospheric chemistry. Silicate particles are present in air-borne mineral dust in atmospheric aerosols, and radical reactions can be different in the presence of these mineral particles. In this work, we use quantum-mechanical calculations and computational kinetics to explore the reaction of a hydroxyl free radical with a formic acid molecule previously adsorbed on several models of silicate surfaces. We find that the reaction is slower and takes place according to a mechanism that is different than the one in the gas phase. It is especially interesting to note that the reaction final products, which are the formyl radical attached to the cluster surface, and a water molecule, are much more stable than those formed in the gas phase, the overall reaction being highly exothermic in the presence of the surface model. This suggests that the silicate surface is a good trap for the formed formyl radical. In addition, we have noted that, if a second hydroxyl radical approaches the adsorbed formyl radical, the formation of carbonic acid on the silicate surface is a highly exothermic and exergonic process. The carbonic acid molecule remains strongly attached to the surface, thus blocking CO2 formation in the formic acid oxidation reaction. The spectroscopic properties of the systems involved in the reaction have been calculated, and interesting frequency shifts have been identified in the main vibration modes.
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