Reaction Kinetics, Mechanisms and Catalysis最新文献

{"title":"The 3rd International Conference on Reaction Kinetics, Mechanisms and Catalysis","authors":"Gábor Lente","doi":"10.1007/s11144-025-02835-x","DOIUrl":"10.1007/s11144-025-02835-x","url":null,"abstract":"","PeriodicalId":750,"journal":{"name":"Reaction Kinetics, Mechanisms and Catalysis","volume":"138 2","pages":"603 - 605"},"PeriodicalIF":1.7,"publicationDate":"2025-03-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143716914","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":"Photochemical processes in aqueous benzoquinone and anthraquinone solutions studied by spectrophotometry","authors":"Krisztina Csonka,&nbsp;Panna Lukács,&nbsp;Katalin Ősz","doi":"10.1007/s11144-025-02810-6","DOIUrl":"10.1007/s11144-025-02810-6","url":null,"abstract":"<div><p>In this paper, we focus on the experimental and theoretical limitations and advantages of using spectrophotometric technique to study a homogeneous, liquid-phase photochemical reaction. 1,4-Benzoquinone and anthraquinone derivatives dissolved in water were examined in a PhotoCube™ photoreactor under illumination with 365, 395, 457, 500, 523, 595, 623 nm, or white light. Derivatives with different electron-withdrawing and electron-donating substituents were studied. The photosensitivity of 1,4-benzoquinone solutions is known. However, a different kind of product was formed during storage in the dark than under illumination. Using classical matrix rank analysis and the M³ method (which uses the steps of Gauss-Jordan elimination), the number of light-absorbing particles in each photochemical reaction was determined. In general, one of the colored particles is the quinone, and the other is a constant ratio mixture of hydroquinone and hydroxyquinone formed as a product, which are weak acids, so their protonation/deprotonation also occurs as the pH of the solution changes, thereby increasing the number of colored particles. This effect was previously avoided by using buffers or pH–stat technique. In the case of the 2,6-dichloro-1,4-benzoquinone derivative, photochemical kinetic measurements at various temperatures were carried out in a diode array spectrophotometer with polychromatic light source. The reaction was only slightly accelerated by increasing the temperature from room temperature to 45 °C.</p></div>","PeriodicalId":750,"journal":{"name":"Reaction Kinetics, Mechanisms and Catalysis","volume":"138 2","pages":"625 - 646"},"PeriodicalIF":1.7,"publicationDate":"2025-02-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://link.springer.com/content/pdf/10.1007/s11144-025-02810-6.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143716720","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":"Photocatalytic degradation of cephalexin antibiotic on TiO2 nanoparticles: insights from kinetics, thermodynamics, liquid chromatography-mass spectrometry, degradation pathways, and antibacterial activities","authors":"Nur Nabaahah Roslan,&nbsp;Harry Lik Hock Lau,&nbsp;Nur Dina Reshma Jali,&nbsp;Nur Amirah S. Yussof,&nbsp;Muhammad Nur,&nbsp;Hussein Taha,&nbsp;Eny Kusrini,&nbsp;Sutarat Thongratkaew,&nbsp;Kajornsak Faungnawakij,&nbsp;Anwar Usman","doi":"10.1007/s11144-025-02813-3","DOIUrl":"10.1007/s11144-025-02813-3","url":null,"abstract":"<div><p>This study systematically investigates the photocatalytic degradation of cephalexin (CEP), an anthropogenic antibiotic, in aqueous solution using anatase titania nanoparticles (TiO₂ NPs) activated under 365-nm light. By inspecting the effects of operational parameters, such as irradiation time, CEP concentration, pH of medium, photocatalyst dosage, and temperature, the photocatalytic degradation kinetics, mechanism, and thermodynamics of the antibiotic were described based on the empirical Langmuir–Hinshelwood, Weber-Morris, Arrhenius, and Eyring models. The results revealed two distinct rate constants for CEP photocatalytic degradation; 0.023 min^‒1 and 0.422 min^‒1, with an activation energy of 3.949 kJ mol^‒1. At concentrations up to 20 mg L^‒1, CEP is completely degraded by 0.5 g L^‒1 TiO₂ NPs. The photocatalytic degradation process was accelerated in the presence of H₂O₂. Thermodynamic analysis indicated that CEP degradation is non-spontaneous and endothermic, and reduces disorder on the photocatalyst surfaces. Liquid chromatography-mass spectrometry was used to identify the photocatalytic degradants. The proposed degradation pathways of CEP involved the ring opening of the β-lactam moiety, driven by redox reactions of the antibiotic with free radicals generated on the photocatalyst surfaces, followed by hydroxylation, decarboxylation, and demethylation. Antibacterial activity studies suggested that the photocatalytic degradants are less detrimental to the aquatic environment than the parent antibiotic.</p><h3>Graphical abstract</h3>\u0000<div><figure><div><div><picture><source><img></source></picture></div></div></figure></div></div>","PeriodicalId":750,"journal":{"name":"Reaction Kinetics, Mechanisms and Catalysis","volume":"138 2","pages":"1175 - 1196"},"PeriodicalIF":1.7,"publicationDate":"2025-02-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143716849","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":"Unlocking superior corrosion inhibition in HCl: thiol-functionalized purine derivatives outperform amino analogues via synergistic electrochemical and quantum mechanisms","authors":"An-Lan Ji,&nbsp;Rui Ding,&nbsp;Xuan Liang,&nbsp;Xiao Liu,&nbsp;Yu-Chen Zhang,&nbsp;Yu-Han Wang,&nbsp;Yu-Lin Zhang,&nbsp;Ming-Di Lei,&nbsp;Yi-Wen Zhang,&nbsp;Jie Fu,&nbsp;Wei-Jie Wang,&nbsp;Jie Liu","doi":"10.1007/s11144-025-02814-2","DOIUrl":"10.1007/s11144-025-02814-2","url":null,"abstract":"<div><p>The corrosion inhibition performance of purine derivatives (PR, 6N-PR, 2N6N-PR, 2N6S-PR, and 2S6S-PR) on carbon steel in 1.0 M HCl was systematically investigated through electrochemical and quantum chemical approaches. For the first time, this study elucidates the critical role of thiol substituents over amino groups in enhancing inhibition efficiency, with 2,6-dimercaptopurine (2S6S-PR) achieving an exceptional inhibition rate of 85.24% at 0.001 mol/L. Electrochemical impedance spectroscopy (EIS) and polarization analyses revealed a mixed inhibition mechanism dominated by anodic passivation, while Langmuir adsorption thermodynamics (<span>(Delta {G}_{ads}^{theta })</span> = − 38.60 kJ/mol for 2S6S-PR) indicated physico-chemical synergistic adsorption. Quantum chemical calculations demonstrated that thiol groups exhibit higher reactivity than amino groups, with the 2-position substitution significantly enhancing π-electron density and planar adsorption activity. Notably, the energy gap (ΔE = 3.25 eV for 2S6S-PR) inversely correlated with inhibition efficiency, highlighting molecular instability as a key driver for strong metal-surface interactions. A novel quantitative structure–activity relationship (QSAR) model integrating HOMO, LUMO, and dipole moment parameters exhibited remarkable alignment with experimental data (R² &gt; 0.99), providing a predictive framework for designing high-performance corrosion inhibitors. These findings bridge the gap between molecular structure and macroscopic inhibition behavior, offering a transformative strategy for sustainable acid corrosion protection.</p></div>","PeriodicalId":750,"journal":{"name":"Reaction Kinetics, Mechanisms and Catalysis","volume":"138 2","pages":"701 - 725"},"PeriodicalIF":1.7,"publicationDate":"2025-02-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143716848","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":"Exact solution to the reversible association process followed by zeroth-order kinetics","authors":"Alejandro Pérez Paz","doi":"10.1007/s11144-025-02803-5","DOIUrl":"10.1007/s11144-025-02803-5","url":null,"abstract":"<div><p>An explicit solution is presented for the two-step consecutive kinetics problem consisting of a reversible association process followed by a zeroth-order decay. This problem models the kinetically reversible combination of two molecules to yield a complex dimer which is then processed by an enzyme provided that we are under substrate saturation conditions. The exact solution, which involves a linear combination of Airy functions of the first and second kind and its derivatives, is valid for general initial conditions. This closed-form expression was obtained via a suitable transformation of the original non-linear differential equation and matches the numerical solution of the latter. A full analysis that includes a discussion of the phase portrait, asymptotic behavior and the effect of parameters is presented. Both the homo and cross associations between molecules are considered and the passage to the purely irreversible limit is also investigated. The newly developed equations are applied for the dissociation of tubulin heterodimer under various constant injection rates thereof. Other situations where these novel solutions could be useful are discussed.</p></div>","PeriodicalId":750,"journal":{"name":"Reaction Kinetics, Mechanisms and Catalysis","volume":"138 2","pages":"673 - 688"},"PeriodicalIF":1.7,"publicationDate":"2025-02-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143716775","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":"ChemTexts: a resource for good scientific practice","authors":"Gábor Lente","doi":"10.1007/s11144-025-02804-4","DOIUrl":"10.1007/s11144-025-02804-4","url":null,"abstract":"","PeriodicalId":750,"journal":{"name":"Reaction Kinetics, Mechanisms and Catalysis","volume":"138 1","pages":"1 - 2"},"PeriodicalIF":1.7,"publicationDate":"2025-02-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143404161","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":"Intermittent chaos in the model of Bray–Liebhafsky reaction","authors":"Stevan Maćešić,&nbsp;Ana Ivanović-Šašić,&nbsp;Željko Čupić,&nbsp;Slobodan Anić","doi":"10.1007/s11144-025-02801-7","DOIUrl":"10.1007/s11144-025-02801-7","url":null,"abstract":"<div><p>This study investigates the model of Bray–Liebhafsky (BL) reaction with aim to identify possible mechanism of emerging intermittent chaos in chemical systems. Through both classic kinetic approaches and stoichiometric network analysis (SNA), we successfully simulate a range of dynamic states, including intermittent oscillations characterized by chaotic mixtures of large and small amplitude bursts. The findings emphasize the importance of reaction pathways and the geometry of slow manifolds in influencing the stability and oscillatory behaviour of the BL reaction. For the first time the model replicates significant experimental observations, including oscillation symmetry, which has been challenging in previous studies. Parameter scaling was crucial for aligning numerical simulations with realistic concentration ranges and oscillation periods. Future research will refine the model to improve the correspondence between experimental and simulated dynamics and explore the implications of identified bifurcations for broader classes of nonlinear reaction systems, contributing to a deeper understanding of oscillatory reactions in chemical engineering.</p></div>","PeriodicalId":750,"journal":{"name":"Reaction Kinetics, Mechanisms and Catalysis","volume":"138 2","pages":"607 - 624"},"PeriodicalIF":1.7,"publicationDate":"2025-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://link.springer.com/content/pdf/10.1007/s11144-025-02801-7.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143716641","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":"Two reactions, two sites, two adsorption coefficients: a kinetic and mechanistic study of the dehydration of 2-octanol on amberlyst®15 catalyst","authors":"Jeffrey C. Gee,&nbsp;Karen W. Fulbright","doi":"10.1007/s11144-024-02788-7","DOIUrl":"10.1007/s11144-024-02788-7","url":null,"abstract":"<div><p>On dry Amberlyst®15 catalyst at 80 °C, 2-octanol undergoes irreversible dehydration to water and octenes. Ether formation is negligible, and reversible alkene double bond isomerization is slow. Kinetic data indicate that two different types of catalytic sites are active. On one site, all adsorbates have large (&gt; 10) adsorption coefficients, and dehydration occurs here by a single site mechanism; on the second site, all adsorbates (except water) have small (&lt; 0.2) adsorption coefficients. Dehydration and alkene double bond isomerization occur on both sites but at separate rates on each site. The site with weak adsorption loses activity rapidly as water forms, while the site with strong adsorption remains active much longer than the other and catalyzes most of the dehydration. Water adsorbs strongly to both sites and inhibits dehydration and double bond isomerization both by competing for vacant active sites and by displacing adsorbed 2-octanol (but not alkenes) directly from the active sites. The existence of two different types of active sites that lose activity at substantially different rates early in the reaction sometimes confounds the interpretation of initial rate data.</p></div>","PeriodicalId":750,"journal":{"name":"Reaction Kinetics, Mechanisms and Catalysis","volume":"138 1","pages":"3 - 29"},"PeriodicalIF":1.7,"publicationDate":"2025-01-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143404162","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":"Spatio-temporal mapping of the redox potential in the Belousov-Zhabotinsky reaction using an uninsulated carbon fiber microelectrode in scanning electrochemical microscopy","authors":"András Kiss,&nbsp;Szilárd Szili","doi":"10.1007/s11144-024-02789-6","DOIUrl":"10.1007/s11144-024-02789-6","url":null,"abstract":"<div><p>In this work, we introduce a method that uses an uninsulated carbon fiber microelectrode as a potentiometric Scanning Electrochemical Microscopy (SECM) probe to investigate the Belousov–Zhabotinsky (BZ) reaction. We demonstrate that two-dimensional electrochemical scanning is achievable with a single electrode, as opposed to the stationary electrode measurements commonly reported for the BZ reaction in the present literature. Our approach allows even a highly sensitive reaction like the distributed BZ reaction to proceed undisturbed during measurement. While we chose redox potential as a proof-of-concept parameter due to its straightforward validation against established optical methods, the same setup is readily adaptable to measure other parameters – such as bromide ion concentration or pH – by simply replacing the microelectrode tip. By ensuring that the carbon fiber tip barely contacts the surface, we avoided the need for insulation and minimized disturbances that might otherwise affect the reaction. This work also demonstrates the significant potential of SECM with carbon fiber tips, particularly for scanning within the upper micrometers of a gas-liquid interface, exploiting the flatness of this interface.</p></div>","PeriodicalId":750,"journal":{"name":"Reaction Kinetics, Mechanisms and Catalysis","volume":"138 2","pages":"647 - 656"},"PeriodicalIF":1.7,"publicationDate":"2025-01-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143716829","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":"Wet peroxide oxidation of catechol over copper-based catalysts: inorganic ions effect and degradation pathway of organics","authors":"Wumin Zhang,&nbsp;Qing Li,&nbsp;Yu Guo,&nbsp;Yanjun Ren,&nbsp;Yao Zhang,&nbsp;Yanyan Xi,&nbsp;Xufeng Lin","doi":"10.1007/s11144-024-02786-9","DOIUrl":"10.1007/s11144-024-02786-9","url":null,"abstract":"<div><p>In this study, Cu/Al₂O₃ catalysts were prepared by equal volume wet impregnation for catalytic wet peroxide oxidation (CWPO) of catechol. The crystal structure and elemental composition of the catalysts were investigated by characterization tools like XRD and XPS. The CWPO performance of the catalyst was evaluated through catalytic degradation of catechol in aqueous solution. It was found that 5%Cu/Al2O3 (in wt%) catalyst showed an excellent catalytic performance for catechol degradation. The total organic carbon (TOC) removal rates reached 91% under optimized reaction conditions. Moreover, anions and cations both had an inhibition effect on TOC removal rates. Combined with hydroxyl radical quenching experiments and density functional theory (DFT) study, the catalytic degradation mechanism was proposed to illustrate the degradation pathway of catechol. The catalytic test results as well as the proposed mechanism can provide an insight into studying the degradation pathway of organics in CWPO.</p></div>","PeriodicalId":750,"journal":{"name":"Reaction Kinetics, Mechanisms and Catalysis","volume":"138 2","pages":"753 - 771"},"PeriodicalIF":1.7,"publicationDate":"2025-01-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143716831","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}