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75 articles for “Reaction Mechanisms”
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Identification of the Most Stable Guanine Tautomer for Hydroxylation Reaction Mechanism Studies using DFT calculations
Abstract: Abstract: Identifying the most stable tatutomer for reaction mechanism studies is essential. For this reason, the present work was intended to explore the most stable and reactive guanine tautomer. To explore the most stable guanine tautomer a DFT/B3LYP method and level of theory were applied for electronic structure calculation and quantum mechanical description. Guanine was shown to exist in four different tautomeric forms (2AX 19 H, 2AX 17 H, 2AX …
Published in International Journal of Chemical Synthesis and Chemical Reactions · Vol. 4, Issue 1, 2018 · pp. 11–20 Read article
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Chemical Synthesis Strategies and Reaction Mechanisms in Self-Healing Polymeric Materials: A Comprehensive Review
Abstract: Self-healing polymeric materials are one of the most rapidly growing and technologically transformative classes of smart polymeric materials. Such materials offer the ability to autonomously repair damage and retain & restore functional performance. This capability is very important for polymers, which undergo mechanical failure, micro- cracking, delamination, photo-oxidation, or thermal degradation during service environments. The last decade has been remarkable for developments in self-healing polymers, ranging from extrinsic capsule-based approaches …
Published in International Journal of Chemical Synthesis and Chemical Reactions · Vol. 12, Issue 1, 2026 · pp. 26–34 Read article
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Synthesis of Groundnut Shell Composites: Exploring Chemical Reactions for Particle Treatmentand Modification
Abstract: The utilization of groundnut shell particles as a sustainable and economical filler in composite materials has garnered significant interest in recent years. This manuscript presents an in-depth analysis of the chemical processes involved in synthesizing groundnut shell-based composites, with a focus on the treatment and modification of the particles to enhance their compatibility and functional properties. The study investigates various chemical reactions, including acid and alkali treatments, aimed at altering …
Published in International Journal of Chemical Synthesis and Chemical Reactions · Vol. 10, Issue 2, 2025 · pp. 27–32 Read article
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A method to determine kinetic triplet by coupled with model-free method and model-fitting method
Abstract: The present study is aimed to obtain integral linear method using rational expressions given by Senum and Yang, and a method of selecting the reaction model more quickly and easily and compute the activation energy and pre- exponential factor more accurately was proposed. An improved linear integral procedure coupled with one model-free method and one model-fitting method for the determination of kinetic triplet using non-isothermal data recorded at several heating …
Published in International journal of Thermodynamics and Chemical Kinetics · Vol. 11, Issue 1, 2025 · pp. 1–13 Read article
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Kinetic and Mechanistic Study of Isomenthol Oxidation by Trichloroisocyanuric Acid in Acidic Medium
Abstract: The oxidation reaction of isomenthol with trichloroisocyanuric acid (TCICA) was systematically investigated in acidic medium to understand its kinetics, reaction mechanism, and overall reactivity. The study was carried out under pseudo-first-order conditions by maintaining a large excess of isomenthol relative to TCICA, allowing accurate determination of the reaction rate. The progress of the oxidation reaction was monitored kinetically, and the obtained data revealed that the reaction follows first-order kinetics with …
Published in International Journal of Chemical Synthesis and Chemical Reactions · Vol. 12, Issue 2, 2026 · pp. 1–7 Read article
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Magnification of the Mechanism of Enzyme Catalyzed Reaction through Geometric Model
Abstract: The geometric model is dealing with correlation between the “five events for enzyme catalyzed reaction” and “triple point event serving groups on the circle” in triangle obtained for thegraphical presentation of the double reciprocal (1÷S versus 1÷V) for magnification of the mechanism of enzyme catalyzed reaction. This model is based on the nine point circle in triangle of the double reciprocal plot. The five significant points resulted for the circle …
Published in International Journal of Chemical Synthesis and Chemical Reactions · Vol. 6, Issue 2, 2020 · pp. 1–25 Read article
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Kinetic Modeling of Biomass Pyrolysis for Renewable Energy Production.
Abstract: Biomass pyrolysis is a promising technology for renewable energy production, offering a sustainable alternative to fossil fuels. This process involves the thermal decomposition of organic materials in the absence of oxygen, resulting in the generation of bio-oil, syngas, and biochar. Kinetic modeling of biomass pyrolysis is essential for optimizing the process and enhancing the yield and quality of the products. This abstract presents a comprehensive review of kinetic models used …
Published in International journal of Thermodynamics and Chemical Kinetics · Vol. 10, Issue 1, 2024 · pp. 1–6 Read article
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Kinetics and Mechanisms of the Reduction of Some Carbonyl Compounds with Sodium Dithionite in Aqueous Alkaline Medium
Abstract: Kinetics of the reduction of some carbonyl compounds (acetophenone, benzophenone, benzaldehyde, and salicylaldehyde) with sodium dithionite was studied at 28± 0.5oC and basic concentration in the range of 0.01 to 0.05 mol dm-3 (NaHCO3). Under these conditions, the reaction rates were found to be first order with respect to sodium dithionite as plot of log kobs versus log [S2O42-] showed linearity to about 95% extent of reaction, however, the overall …
Published in International journal of Thermodynamics and Chemical Kinetics · Vol. 2, Issue 2, 2016 · pp. 11–19 Read article
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Mechanistic and Catalytic Behavior of Os for the Chlorpheniramine Maleate and Bromamine-B Redox System
Abstract: Chlorpheniramine maleate (CPM) is an important antihistamine agent. To the best of our knowledge there is no report in the literature about the oxidation of CPM with halogen + 1 oxidant from the stand point of its kinetics and mechanistic chemistry. Hence, a systematic kinetics and mechanistic study on the oxidation of CPM with bromamine-B (BAB) in the presence of NaOH and Os(VIII) catalyst has been carried out at 303 …
Published in International Journal of Energetic Materials · Vol. 2, Issue 2, 2016 · pp. 14–29 Read article
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Catalytic Methods to Produce 2,5-FurandicarboxylicAcid from Glucose
Abstract: The new avenue in the realm of catalysis and in chemical industry is the paradigm shift from fossil based to biobased inventory, including the feedstock. Biomass is found to be a promising substitute to petroleum- based feedstock. Almost all the chemicals that could be derived from the conventional petro-refinery can be obtained from the bio-refinery with the intelligent use of Catalysis for the conversion of biomass selectively to the target …
Published in International Journal of Polymer Science and Engineering · Vol. 12, Issue 1, 2026 · pp. 12–20 Read article
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Electrification of the Chemical Industry: A Next-Generation Approach to Sustainable Chemical Synthesis and Greenhouse Gas Mitigation
Abstract: The imperative to mitigate greenhouse gas emissions and transition to sustainable energy sources is driving a paradigm shift in the chemical industry. Electrification, leveraging renewable energy sources, emerges as a next-generation approach to transform traditional chemical synthesis routes, often reliant on fossil fuels and energy-intensive processes. This review explores the burgeoning field of electrified chemical synthesis, focusing on key examples – electrochemical CO2 reduction reaction (CO2RR), electrochemical ammonia (NH3) synthesis, …
Published in International Journal of Environmental Chemistry · Vol. 11, Issue 1, 2025 · pp. 104–115 Read article
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Design and Optimization of Heterogeneous Catalysts for Green Chemistry Processes
Abstract: The design and optimization of heterogeneous catalysts are critical for advancing green chemistry processes, aiming to minimize environmental impact while maximizing efficiency. This study explores innovative strategies for the development of heterogeneous catalysts that facilitate environmentally benign reactions. By integrating principles of catalyst design, surface science, and reaction engineering, we aim to enhance catalytic performance, selectivity, and stability. Catalyst composition and structure, investigating novel materials, including metal-organic frameworks (MOFs), zeolites, …
Published in International Journal of Chemical Synthesis and Chemical Reactions · Vol. 10, Issue 1, 2025 · pp. 42–48 Read article
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Green Synthesis, Characterization and Antimicrobial Studies of Ni(II) and Cu(II) Schiff Base Complexes
Abstract: Solvent-assisted mechanochemical reaction was used to synthesize new transition metal complexes of Ni(II) and Cu(II) with Schiff base ligand (H2L) obtained from condensation of 2-hydroxy-1- napthaldehyde with 2 aminobenzimidazole. Melting point/decomposition temperature, solubility test, FT-IR, powder x-ray analysis, conductivity measurement, magnetic susceptibility, elemental microanalysis, and UV/VIS spectral investigations were used to characterize the Schiff base and complexes. The complexes are of varied colours and have sharp melting points, and they …
Published in International Journal of Green Chemistry · Vol. 8, Issue 1, 2022 · pp. 9–18 Read article
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Development of Biokinetic Model for Crude Oil Remediation using Neem-Water-Alcohol Root Extracts
Abstract: Model was developed to examine the degradation of crude oil in different soil environment using Neem roots extract subjected in fermentation for a period of one week. The Neem roots extract of 500g and 600g was used in carrying out the research work and both was extracted from fermented Neem roots in alcohol medium. The reaction mechanism was tested using first order rate constant with Neem treatment in both solvent …
Published in International journal of Thermodynamics and Chemical Kinetics · Vol. 6, Issue 2, 2020 · pp. 1–15 Read article
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Different type of catalysts used in the Baylis-Hillman reaction
Abstract: The Baylis-Hillman reaction in the present-day version is an atom-economic carbon-carbon bond-forming reaction between the α-position of the activated alkenes and carbon electrophiles under the influence of a catalyst or catalytic system offering diverse classes of densely functionalized molecules. If the substrate contains both the activated alkene and electrophile components in appropriate positions, there is the possibility of developing an intramolecular version of this reaction leading to the synthesis of …
Published in International Journal of Chemical Synthesis and Chemical Reactions · Vol. 5, Issue 2, 2019 · pp. 30–37 Read article
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The Power of Chemical Modeling: Unveiling Molecular Behavior
Abstract: Chemical modeling has developed as a strong tool for deciphering the complicated behavior of atoms at both the molecular and atomic scales. Researchers can simulate and comprehend the complex dynamics and properties of chemical systems by combining ideas from physics, chemistry, and computer science. The importance of chemical modeling in studying molecular behavior and demonstrates its transformative ability in a variety of scientific disciplines. Chemical modeling, using advanced computational approaches, …
Published in International Journal of Chemical Engineering and Processing · Vol. 9, Issue 1, 2023 · pp. 9–13 Read article
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Kinetic and Mechanistic Study of Oxidation of Benzydamine Hydrochloride by Permanganate (VII) in Acidic Medium
Abstract: The kinetics and mechanism of Permanganate (Mn (VII)) oxidation of Benzydamine hydrochloride (B.HCl) in acidic medium has been studied at 26 ± 0.1°C. The reaction shows first order dependence in [Mn (VII)], less than unit order in [B.HCl] and fractional order dependence in [H2SO4]. Variation of ionic strength by the addition of KCl has no significant effect on the rate. The stoichiometry of the reaction is found to be 1:4 …
Published in International journal of Thermodynamics and Chemical Kinetics · Vol. 2, Issue 2, 2016 · pp. 20–28 Read article
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The decomposition of tris-(oxalato)-manganate (III) complex ion as the reaction suitable for the laboratory practice on chemical kinetics
Abstract: The complex ion [Mn(C2O4)3]3- is very photosensitive and rapidly decomposes at the daylight even at ambient temperatures. Although the mechanism of this reaction is complicated, its kinetic equation obeys the pseudo-first order. In addition, the tris-(oxalate)-manganate ion has a low thermal stability, and the reaction of its decomposition is highly affected by temperature. This makes this reaction very suitable for demonstrating the laws of chemical kinetics to the students – …
Published in International journal of Thermodynamics and Chemical Kinetics · Vol. 2, Issue 2, 2016 · pp. 1–10 Read article
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Mechanistic Insights into Solvent-Controlled Stepwise and Concerted Cycloadditions of the Propadienyl Cation with Oxoamides: A DFT Study
Abstract: AbstractOxazoles constitute an important class of heterocycles with widespread applications in medicinal chemistry and materials science, yet the mechanistic features governing their formation via cationic cycloaddition reactions remain incompletely understood. In this work, we present a comprehensive density functional theory (DFT) investigation into the reaction between the propadienyl cation and oxoamides as a model system for oxazole ring formation. Using the CAM-B3LYP/6–31+G(d,p) level of theory, we systematically compare gas-phase reactivity …
Published in International journal of Thermodynamics and Chemical Kinetics · Vol. 12, Issue 1, 2026 · pp. 8–17 Read article
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A STYDY ON MECHANICAL PROPERTIES UNDER THE INFLUENCE OF FELDSPAR ACTIVATOR ON GEOPOLYMERIZATION OF REDMUD AND GGBS
Abstract: It is well known fact that the Ordinary Portland Cement (OPC) is most important construction material. Keeping in view the hazardous effects of Portland cement on environment, efforts are being put to reduce use of cement in concrete with its partial or full replacement by various waste materials such as Red mud (RM), Ground Granulated Blas Furnace Slag (GGBFS or GGBS), Flyash, Silica fume etc.. Geopolymer Concrete (GPC) is a …
Published in International Journal of Geological and Geotechnical Engineering · Vol. 5, Issue 1, 2019 · pp. 1–8 Read article