International Journal of Chemical Kinetics最新文献

{"title":"Antibacterial and Antibiofilm Potential of Two Palm Species (Syagrus romanzoffiana and Bismarckia nobilis, Arecaceae) against Drug-Resistant Escherichia coli and Bacillus subtilis","authors":"Fatima Riaz,&nbsp;Abdul Qadir Ahmad,&nbsp;Muhammad Junaid,&nbsp;Zubaria Ashraf,&nbsp; Umm-e-Habiba,&nbsp;Muhammad Amjad Riaz,&nbsp;Muhammad Hassnain,&nbsp;Muhammad Adil Karamat,&nbsp;Khalid Bilal","doi":"10.1002/kin.70034","DOIUrl":"https://doi.org/10.1002/kin.70034","url":null,"abstract":"<div>\u0000 \u0000 <p>The pathogenic microbes are becoming resistant to synthetic drugs, leading to a hazardous situation for human health and putting pressure on pharmaceutical giants to develop natural alternatives as herbal/plant-based medicines. The present in vitro study was therefore conducted to assess the therapeutic potential of two novel palm plants, <i>Syagrus romanzoffiana</i> and <i>Bismarckia nobilis</i>, of the family Arecaceae, against drug-resistant bacterial strains, <i>Escherichia coli</i> and <i>Bacillus subtilis</i>. The plant parts, such as the leaves, bark, and stems of both palms, were macerated in polar and nonpolar solvents (petroleum ether, chloroform, and methanol) to determine their antibacterial and antibiofilm potential. The % yield was comparatively more (6.42%) in the methanol crude extract of the stem of <i>S. romanzoffiana</i>, followed by the petroleum ether extract of the leaves of <i>B. nobilis</i> (6.24%). Overall, <i>S. romanzoffiana</i> has shown better results against these DR bacteria, with the highest antibacterial activity, as evidenced by a 26.3±0.33 mm zone of inhibition observed with the methanol stem extract against <i>E. coli</i>. On the contrary, <i>S. romanzoffiana</i> showed better biofilm inhibition activity, with a substantial value of 63.9±1.11% for the chloroform bark extract against the <i>E. coli</i> strain. The promising results suggest that these plants could represent a potential breakthrough against DR pathogens, pending further in vivo investigations.</p>\u0000 </div>","PeriodicalId":13894,"journal":{"name":"International Journal of Chemical Kinetics","volume":"58 5","pages":"210-218"},"PeriodicalIF":1.6,"publicationDate":"2026-03-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147562744","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Laser Absorption Shock Tube Study of C1 to C4 n-Alkyl Formate Pyrolysis","authors":"Malte Döntgen,&nbsp;Alina Wildenberg,&nbsp;Karl Alexander Heufer","doi":"10.1002/kin.70035","DOIUrl":"https://doi.org/10.1002/kin.70035","url":null,"abstract":"<p><span></span><math>\u0000 <semantics>\u0000 <mi>n</mi>\u0000 <annotation>$n$</annotation>\u0000 </semantics></math>-Alkyl formates are considered as potential alternative fuels or fuel additives. While their oxidation chemistry has been investigated intensely, their pyrolysis chemistry requires more experimental insights. The present work utilizes shock tube experiments in combination with infrared laser absorption measurements to obtain information about the <span></span><math>\u0000 <semantics>\u0000 <mi>n</mi>\u0000 <annotation>$n$</annotation>\u0000 </semantics></math>-alkyl formate dissociation and to derive rate coefficients. These experiments are complemented with kinetics predictions. Methyl formate is found to be less reactive than the longer <i>n</i>-alkyl formates, the latter of which have rather similar rate coefficients for dissociation towards <i>n</i>-alkene and formic acid, with <i>n</i>-butyl formate exhibiting the largest rate coefficient. The present experimental rate coefficients for <i>n</i>-alkyl formate decomposition are found to agree well with experimental results from the literature. The decomposition of formic acid formed via dissociation of the longer <i>n</i>-alkyl formates, the present experimental rate coefficient was initially assumed to deviate from theoretical predictions found in the literature. Yet when adjusting the collisional energy transfer parameters in the kinetics predictions, the present results can be reproduced through previous theoretical work. This indicates that formic acid might be very sensitive to the bath gas, which will be investigated in future work. With the present systematic investigation of <span></span><math>\u0000 <semantics>\u0000 <msub>\u0000 <mi>C</mi>\u0000 <mn>1</mn>\u0000 </msub>\u0000 <annotation>${rm C}_1$</annotation>\u0000 </semantics></math> to <span></span><math>\u0000 <semantics>\u0000 <msub>\u0000 <mi>C</mi>\u0000 <mn>4</mn>\u0000 </msub>\u0000 <annotation>${rm C}_4$</annotation>\u0000 </semantics></math> <i>n</i>-alkyl formates, detailed chemical kinetic modeling of <span></span><math>\u0000 <semantics>\u0000 <mi>n</mi>\u0000 <annotation>$n$</annotation>\u0000 </semantics></math>-alkyl formates will be aided in general. Moreover, the potential to gain insights at the elementary reaction level is revealed in the context of formic acid dissociation.</p>","PeriodicalId":13894,"journal":{"name":"International Journal of Chemical Kinetics","volume":"58 5","pages":"199-209"},"PeriodicalIF":1.6,"publicationDate":"2026-03-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://onlinelibrary.wiley.com/doi/epdf/10.1002/kin.70035","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147562271","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Study on Mass Transfer and Thermodynamics Parameters of Alkaline Hydrolysis of Methyl Benzoate Under Arbitrary Temperatures","authors":"Huiqiang Jia,&nbsp;Tianyu Ge,&nbsp;Wenshuai Bai,&nbsp;Yan Liu","doi":"10.1002/kin.70040","DOIUrl":"https://doi.org/10.1002/kin.70040","url":null,"abstract":"<div>\u0000 \u0000 <p>Sodium benzoate, a food preservative, can be synthesized through alkaline hydrolysis of excess methyl benzoate, enabling resource utilization. This reaction is quite complex because the produced sodium benzoate acts as a surfactant and methanol as a co-solvent, both of which will affect mass transfer characteristics. In this paper, a mathematical model of the heterogeneous liquid-liquid reaction at arbitrary temperatures was developed firstly. Then, process conditions were determined through preliminary screening experiments. The interfacial tensions of two phases were measured, and the relationship of total interfacial tension with sodium benzoate concentration and temperature was established through regression analysis. Lastly, mass transfer and thermodynamic parameters of the reaction were determined using a combination of calorimetric experiments, genetic algorithm, and local convergence algorithm. This model enables rapid prediction of thermal power, as well as conversion rate, temperature, and provides theoretical support for scaling up from laboratorial scale to pilot, and even industrial production.</p>\u0000 </div>","PeriodicalId":13894,"journal":{"name":"International Journal of Chemical Kinetics","volume":"58 5","pages":"230-245"},"PeriodicalIF":1.6,"publicationDate":"2026-03-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147568548","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Highly Selective and Catalyst-Free Oxidation of Benzyl Alcohol With Nitric Acid Under Mild Conditions","authors":"Shuo Ai,&nbsp;Kaili Gao,&nbsp;Linghui Liu,&nbsp;Wanguo Yu","doi":"10.1002/kin.70033","DOIUrl":"https://doi.org/10.1002/kin.70033","url":null,"abstract":"<div>\u0000 \u0000 <p>Benzaldehyde is a useful starting material of pharmaceuticals and spice. Benzaldehyde was synthesized via the oxidation of benzyl alcohol with concentrated nitric acid at 10°C–39°C, and the selectivity and yield were up to 99.7% and 98.9%, respectively. The selectivity was reduced at higher reaction temperatures. This is an intensely exothermic reaction in the absence of catalyst and organic solvent, and the composition of products was very simple. Most of benzyl alcohol was transformed into benzaldehyde within 2 min, showing high production efficiency. The oxidation reaction of benzaldehyde followed pseudo-zeroth-order kinetics with activation energy of 30.5 kJ/mol, so the accumulation of benzaldehyde would not accelerate its oxidation reaction. The high selectivity to benzaldehyde at low temperatures was attributed to the higher activation energy of oxidation of benzaldehyde compared to oxidation of benzyl alcohol. The reaction process was monitored by in-situ UV-Vis. The oxidation rate with concentrated HNO₃ was much higher than that with dilute HNO₃. NO₂ and NO were the dominant product in the presence of concentrated and dilute HNO₃, respectively. This paper presents a feasible scheme to selectively transform benzyl alcohol into benzaldehyde with a new oxidant instead of catalyst.</p>\u0000 </div>","PeriodicalId":13894,"journal":{"name":"International Journal of Chemical Kinetics","volume":"58 5","pages":"191-198"},"PeriodicalIF":1.6,"publicationDate":"2026-03-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147569970","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"","authors":"","doi":"","DOIUrl":"","url":null,"abstract":"","PeriodicalId":13894,"journal":{"name":"International Journal of Chemical Kinetics","volume":"58 6","pages":"288-311"},"PeriodicalIF":1.6,"publicationDate":"2026-03-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148069088","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"","authors":"","doi":"","DOIUrl":"","url":null,"abstract":"","PeriodicalId":13894,"journal":{"name":"International Journal of Chemical Kinetics","volume":"58 6","pages":"312-320"},"PeriodicalIF":1.6,"publicationDate":"2026-03-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148069089","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"","authors":"","doi":"","DOIUrl":"","url":null,"abstract":"","PeriodicalId":13894,"journal":{"name":"International Journal of Chemical Kinetics","volume":"58 6","pages":"262-268"},"PeriodicalIF":1.6,"publicationDate":"2026-03-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148063988","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"","authors":"","doi":"","DOIUrl":"","url":null,"abstract":"","PeriodicalId":13894,"journal":{"name":"International Journal of Chemical Kinetics","volume":"58 6","pages":"278-287"},"PeriodicalIF":1.6,"publicationDate":"2026-03-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148065080","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"","authors":"","doi":"","DOIUrl":"","url":null,"abstract":"","PeriodicalId":13894,"journal":{"name":"International Journal of Chemical Kinetics","volume":"58 6","pages":"269-277"},"PeriodicalIF":1.6,"publicationDate":"2026-03-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148063989","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Pyrolysis of Neopentane in a Single Pulse Shock Tube: The Pressure Dependence of the Rate Constant for the C─C Bond Cleavage of Neopentane","authors":"Kenji Yasunaga,&nbsp;Hiroto Moriyama,&nbsp;Nobutaka Yamanaka,&nbsp;Hiroshi Yamada","doi":"10.1002/kin.70027","DOIUrl":"10.1002/kin.70027","url":null,"abstract":"<div>\u0000 \u0000 <p>The pyrolysis of neopentane (2,2-dimethylpropane) has been the subject of investigation at two pressures, approximately 2 and 10 atm, and a range of temperatures from 1000 to 1300 K. A single pulse shock tube was employed to measure the species concentration profiles of the reactant, intermediates, and products by means of gas chromatography (GC) sampling at a reaction time of 1.4 ms. The estimated reaction rate constants for C─C bond cleavage in neopentane (R1), derived from the fitting of a reaction model simulation to the concentration profiles of neopentane, can be represented by the following equations: <i>k</i>_R1 = 5.0 × 10¹³ exp(−64,100 cal mol⁻¹/<i>RT</i>) s⁻¹ and <i>k</i>_R1 = 1.0 × 10¹⁴ exp(−63,300 cal mol⁻¹/<i>RT</i>) s⁻¹ at 2 and 10 atm, respectively. The rate constants obtained, together with comparisons with literature values, indicate that the rate of C─C bond cleavage of neopentane is in the fall-off region under the present experimental conditions. It is important to note that the estimated rate constants may be overestimated at low temperatures. This is due to the assumption of a linear relationship between the logarithm of the rate constant and the inverse of the temperature, as is evident from the fitting to the Arrhenius equation <i>A </i>exp(−<i>E_a</i>/<i>RT</i>). A rate-of-consumption/production analysis was performed for neopentane and isobutene at 2 and 10 atm to investigate the influence of secondary reactions. Assuming a 50% uncertainty in the hydrogen abstraction reactions by both methyl radicals and hydrogen atoms from the C─H bond, <i>k</i>_R1 was estimated to have 38% and 43% uncertainties at 2 and 10 atm, respectively.</p>\u0000 </div>","PeriodicalId":13894,"journal":{"name":"International Journal of Chemical Kinetics","volume":"58 4","pages":"138-145"},"PeriodicalIF":1.6,"publicationDate":"2026-02-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147567820","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}