action Reversible single-crystal to single-crystal photoreaction between a coordination comb and a ladder displays photo-switchable fluorescence By pubs.rsc.org Published On :: Inorg. Chem. Front., 2024, Advance ArticleDOI: 10.1039/D4QI02162B, Research ArticleNi-Ya Li, Xin-Yu Wang, Pei-Xuan Zhang, Ning-Ning Zou, Wen Qiu, Yu-Fei Xing, Yun-Jian Wang, Xiao-Yan Tang, Dong LiuA unique coordination polymer can transform between comb-like and ladder-like bistable structures through reversible single-crystal-to-single-crystal photoreaction and exhibit photo-switchable fluorescence.To cite this article before page numbers are assigned, use the DOI form of citation above.The content of this RSS Feed (c) The Royal Society of Chemistry Full Article
action A moss-like CoB/CeO2 heterojunction as an efficient electrocatalyst for the oxygen evolution reaction under alkaline conditions By pubs.rsc.org Published On :: Inorg. Chem. Front., 2024, Advance ArticleDOI: 10.1039/D4QI02325K, Research ArticleWeijie Fang, Chaofan Liu, Jiang Wu, Weikai Fan, Le Chen, Zaiguo Fu, Lin Peng, Ping He, Jia Lin, Zhongwei ChenThe moss-like amorphous CoB/crystalline CeO2 heterojunction nanosheets synthesized in this study have excellent OER activity and stability.To cite this article before page numbers are assigned, use the DOI form of citation above.The content of this RSS Feed (c) The Royal Society of Chemistry Full Article
action Multistage construction of Gd-doped g-C3N4/Mo15S19 composites enabled both N2 activation and multiple electron transfer for an enhanced photocatalytic nitrogen reduction reaction By pubs.rsc.org Published On :: Inorg. Chem. Front., 2024, Advance ArticleDOI: 10.1039/D4QI02016B, Research ArticleXiaoyu Jiang, Boran Tao, Hongda LiA multistage construction of the Gd-doped g-C3N4/Mo15S19 catalyst, with Gd3+ as redox centers and Mo15S19 as N2 activation sites, synergistically enhances its photocatalytic NRR performance.To cite this article before page numbers are assigned, use the DOI form of citation above.The content of this RSS Feed (c) The Royal Society of Chemistry Full Article
action Lithium extraction by metal–organic frameworks By pubs.rsc.org Published On :: Inorg. Chem. Front., 2024, Advance ArticleDOI: 10.1039/D4QI02228A, Review Article Open Access   This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.Zongsu Han, Joshua Rushlow, Yihao Yang, Jiatong Huo, Wei Shi, Hong-Cai ZhouLithium extraction attracts great attention due to the rising demand for batteries, but faces challenges related to low natural abundance and environmental concerns. MOFs show promise in lithium extraction, benefitting from customizable structures.To cite this article before page numbers are assigned, use the DOI form of citation above.The content of this RSS Feed (c) The Royal Society of Chemistry Full Article
action Portable platform for leukocyte extraction from blood using sheath-free microfluidic DLD By pubs.rsc.org Published On :: Lab Chip, 2024, Advance ArticleDOI: 10.1039/D4LC00132J, PaperOriana G. Chavez-Pineda, Roberto Rodriguez-Moncayo, Alan M. Gonzalez-Suarez, Pablo E. Guevara-Pantoja, Jose L. Maravillas-Montero, Jose L. Garcia-CorderoA microfluidic platform isolates leukocytes from blood efficiently, offering diagnostic and immunotherapeutic potential. Enhanced by a handheld pressure controller, it enables near-patient testing and integration with downstream assays.To cite this article before page numbers are assigned, use the DOI form of citation above.The content of this RSS Feed (c) The Royal Society of Chemistry Full Article
action A Chemist's guide to multi-objective optimization solvers for reaction optimization By pubs.rsc.org Published On :: React. Chem. Eng., 2024, 9,2882-2891DOI: 10.1039/D4RE00175C, PaperAravind Senthil Vel, Daniel Cortés-Borda, François-Xavier FelpinThis paper presents a chemist's guide for selecting multi-objective optimization algorithms for reaction optimization.The content of this RSS Feed (c) The Royal Society of Chemistry Full Article
action A novel magnetic nanoparticle as an efficient and recyclable heterogeneous catalyst for the Suzuki cross-coupling reaction By pubs.rsc.org Published On :: React. Chem. Eng., 2024, 9,2954-2962DOI: 10.1039/D4RE00226A, PaperHui Jin, Mengyu Cui, Peiwen Liu, Zhuo Wang, Tongxia Jin, Yonghui Yang, Weiping Zhu, Xuhong QianA novel magnetically recyclable heterogeneous palladium catalyst Fe3O4@FSM@Pd was constructed and characterized, which is highly efficient and reusable for the Suzuki–Miyaura cross-coupling reaction.The content of this RSS Feed (c) The Royal Society of Chemistry Full Article
action Optimization of reaction parameters for the synthesis of natural aroma esters by factorial design By pubs.rsc.org Published On :: React. Chem. Eng., 2024, 9,2994-3002DOI: 10.1039/D4RE00265B, Paper Open Access   This article is licensed under a Creative Commons Attribution-NonCommercial 3.0 Unported Licence.Adrian Ioan Dudu, Csaba Paizs, Monica Ioana ToşaIn this study, the synthesis of aroma esters by the direct esterfication of carboxylic acids with aromatic alcohols mediated by lipase B from Candida antarctica encapsulated in a sol–gel matrix in a solvent-free system is presented.The content of this RSS Feed (c) The Royal Society of Chemistry Full Article
action Review of hydrogen ortho–para conversion: experimental data and reaction kinetics By pubs.rsc.org Published On :: React. Chem. Eng., 2024, 9,2846-2862DOI: 10.1039/D4RE00259H, Review ArticleFuyu Jiao, Saif Al Ghafri, Keelan T. O'Neill, Paul S. Stanwix, Guinevere M. Sellner, Einar O. Fridjonsson, Neil Robinson, Eric F. May, Michael L. JohnsThis work reviews ortho–para hydrogen conversion data for various types of catalysts at cryogenic temperatures and evaluates different reaction kinetic expressions employed to describe these experimental data.The content of this RSS Feed (c) The Royal Society of Chemistry Full Article
action Transesterification or polymerization? Reaction mechanism and kinetics of 2-(diethylamino)ethyl methacrylate with methanol and the competitive effect on free-radical polymerization By pubs.rsc.org Published On :: React. Chem. Eng., 2024, Advance ArticleDOI: 10.1039/D4RE00406J, PaperJudith Cabello-Romero, Román Torres-Lubián, Javier Francisco Enríquez-Medrano, Adrián Ochoa-Terán, Jesús Jara-Cortés, Iván Zapata-GonzálezTransesterification of 2-(diethylamino)ethyl methacrylate (DEAEMA) with methanol leads to the formation of methyl methacrylate (MMA) and amino alcohol. This reaction significantly affects DEAEMA polymerization giving rise to poly(DEAEMA-co-MMA).To cite this article before page numbers are assigned, use the DOI form of citation above.The content of this RSS Feed (c) The Royal Society of Chemistry Full Article
action Synthesis of ethylphenols and xanthenes via reaction of calcium carbide and phenol: experimental and theoretical studies By pubs.rsc.org Published On :: React. Chem. Eng., 2024, Advance ArticleDOI: 10.1039/D4RE00397G, PaperXin Liu, Yuxin Yan, Zhenyu Liu, Qingya LiuA novel synthesis of xanthenes and ethylphenols by the reaction of phenol with CaC2 without catalysts and solvents.To cite this article before page numbers are assigned, use the DOI form of citation above.The content of this RSS Feed (c) The Royal Society of Chemistry Full Article
action A computational study of nematic core structure and disclination interactions in elastically anisotropic nematics By pubs.rsc.org Published On :: Soft Matter, 2024, 20,2900-2914DOI: 10.1039/D3SM01616A, PaperLucas Myers, Carter Swift, Jonas Rønning, Luiza Angheluta, Jorge ViñalsThe structure of isolated disclinations and disclination dipoles in anisotropically elastic nematic liquid crystals is explored via a singular potential computational model.The content of this RSS Feed (c) The Royal Society of Chemistry Full Article
action Dilute gel networks vs. clumpy gels in colloidal systems with a competition between repulsive and attractive interactions By pubs.rsc.org Published On :: Soft Matter, 2024, 20,3143-3153DOI: 10.1039/D3SM01717F, Paper Open Access   This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.M. Gimperlein, Jasper N. Immink, M. SchmiedebergDilute and dense systems differ in the way structural properties emerge. Two regimes of percolation might be responsible for differences. Global and local structural properties give insights into these differences.The content of this RSS Feed (c) The Royal Society of Chemistry Full Article
action Dynamic compaction of cohesive granular materials: scaling behavior and bonding structures By pubs.rsc.org Published On :: Soft Matter, 2024, Advance ArticleDOI: 10.1039/D3SM01116J, Paper Open Access   This article is licensed under a Creative Commons Attribution-NonCommercial 3.0 Unported Licence.Max Sonzogni, Jean-Mathieu Vanson, Katerina Ioannidou, Yvan Reynier, Sébastien Martinet, Farhang RadjaiThe compaction of cohesive granular materials is a common operation in powder-based manufacture of many products.To cite this article before page numbers are assigned, use the DOI form of citation above.The content of this RSS Feed (c) The Royal Society of Chemistry Full Article
action Hydrogen bonding enhanced drug–polymer interaction for efficient drug loading and delivery By pubs.rsc.org Published On :: Soft Matter, 2024, Advance ArticleDOI: 10.1039/D4SM00003J, CommunicationXiaotian Qu, Junran Li, Yishu Yu, Jie YangA carrier design strategy of hydrogen bonding enhanced drug–carrier interaction is developed to prepare a polymeric nanomedicine with high drug loading content and superb loading efficiency as well as tunable nanostructures.To cite this article before page numbers are assigned, use the DOI form of citation above.The content of this RSS Feed (c) The Royal Society of Chemistry Full Article
action Bacteria–surface interactions: role of impacting bacteria-laden droplets By pubs.rsc.org Published On :: Soft Matter, 2024, Advance ArticleDOI: 10.1039/D4SM00196F, PaperSudip Shyam, Sirshendu Misra, Surjyasish Mitra, Sushanta K. MitraImpact-induced transformation of bacteria from a viable to a dormant mode.To cite this article before page numbers are assigned, use the DOI form of citation above.The content of this RSS Feed (c) The Royal Society of Chemistry Full Article
action Interaction between stabilized droplets of different phases in the same continuous phase of an aqueous three-phase system By pubs.rsc.org Published On :: Soft Matter, 2024, 20,3359-3366DOI: 10.1039/D3SM01688A, PaperDo-Nhu-Trang Nguyen, Léa Waldmann, Valérie Ravaine, Taco Nicolai, Lazhar BenyahiaJanus-like droplets, covered with microgel, formed after the fusion of gelatin and dextran droplets in a common poly(ethylene oxide) phase.The content of this RSS Feed (c) The Royal Society of Chemistry Full Article
action Structural interactions in polymer-stabilized magnetic nanocomposites By pubs.rsc.org Published On :: Soft Matter, 2024, Advance ArticleDOI: 10.1039/D4SM00008K, Paper Open Access   This article is licensed under a Creative Commons Attribution-NonCommercial 3.0 Unported Licence.Gauri M. Nabar, Abhilasha V. Dehankar, Elizabeth Jergens, Benworth B. Hansen, Ezekiel Johnston-Halperin, Matthew Sheffield, Joshua Sangoro, Barbara E. Wyslouzil, Jessica O. WinterSuperparamagnetic iron oxide nanoparticles (SPIONs) can align in polymer-stabilized aggregates, changing their properties.To cite this article before page numbers are assigned, use the DOI form of citation above.The content of this RSS Feed (c) The Royal Society of Chemistry Full Article
action Agri-waste derived electroactive carbon–iron oxide nanocomposite for oxygen reduction reaction: an experimental and theoretical study By pubs.rsc.org Published On :: RSC Adv., 2024, 14,12171-12178DOI: 10.1039/D4RA01264J, Paper Open Access   This article is licensed under a Creative Commons Attribution-NonCommercial 3.0 Unported Licence.Pallavi B. Jagdale, Sai Rashmi Manippady, Rohit Anand, Geunsik Lee, Akshaya Kumar Samal, Ziyauddin Khan, Manav SaxenaHerein, we have utilized agri-waste and amalgamating low Fe3+, to develop an economic iron oxide–carbon hybrid-based electrocatalyst for oxygen reduction reaction (ORR) with water as a main product following close to 4e− transfer process.The content of this RSS Feed (c) The Royal Society of Chemistry Full Article
action Rice husk valorisation by in situ grown MoS2 nanoflowers: a dual-action catalyst for pollutant dye remediation and microbial decontamination By pubs.rsc.org Published On :: RSC Adv., 2024, 14,12192-12203DOI: 10.1039/D4RA00862F, Paper Open Access   This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.Rahul Ranjan, Smruti B. Bhatt, Rohit Rai, Sanju Kumari Sharma, Rishabh Ranjan, Ankit Bharti, Prodyut DharIn this study, we carried out valorization of rice husk through in situ growth of MoS2 nanoflowers for simultaneous pollutant dye remediation and microbial decontamination.The content of this RSS Feed (c) The Royal Society of Chemistry Full Article
action Kinetic and reactivity of gas-phase reaction of acyclic dienes with hydroxyl radical in the 273–318 K temperature range By pubs.rsc.org Published On :: RSC Adv., 2024, 14,12303-12312DOI: 10.1039/D3RA08750F, Paper Open Access   This article is licensed under a Creative Commons Attribution-NonCommercial 3.0 Unported Licence.Chenyang Xue, Xinmiao Xu, Han Lyu, Yunfeng Li, Yangang Ren, Jinhe Wang, Yujing Mu, Abdelwahid Mellouki, Zongzheng YangThe relative position of two CC on the acyclic dienes could determine its reactivity. The number and type of alkyl group and the number of addition sites on diene could also strongly affect its reactivity toward OH radical.The content of this RSS Feed (c) The Royal Society of Chemistry Full Article
action Retraction: Synthesis and characterization of a supported Pd complex on volcanic pumice laminates textured by cellulose for facilitating Suzuki–Miyaura cross-coupling reactions By pubs.rsc.org Published On :: RSC Adv., 2024, 14,12463-12463DOI: 10.1039/D4RA90042A, Retraction Open Access   This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.Siavash Salek Soltani, Reza Taheri-Ledari, S. Morteza F. Farnia, Ali Maleki, Alireza ForoumadiThe content of this RSS Feed (c) The Royal Society of Chemistry Full Article
action Harnessing the power of natural deep eutectic solvents (choline chloride/sucrose) and polypropylene glycol in the formation of aqueous biphasic systems and the application of these systems in drug extraction By pubs.rsc.org Published On :: RSC Adv., 2024, 14,12349-12359DOI: 10.1039/D3RA07066B, Paper Open Access   This article is licensed under a Creative Commons Attribution-NonCommercial 3.0 Unported Licence.Fariba Ghaffari, Mohammed Taghi Zafarani-Moattar, Hemayat ShekaariIn recent times, there has been considerable interest in utilizing aqueous biphasic systems (ABSs) containing natural deep eutectic solvents (NADESs) for the extraction of various substances.The content of this RSS Feed (c) The Royal Society of Chemistry Full Article
action The untold story of starch as a catalyst for organic reactions By pubs.rsc.org Published On :: RSC Adv., 2024, 14,12676-12702DOI: 10.1039/D4RA00775A, Review Article Open Access   This article is licensed under a Creative Commons Attribution-NonCommercial 3.0 Unported Licence.Masoud SadeghiStarch as catalyst for organic reactions.The content of this RSS Feed (c) The Royal Society of Chemistry Full Article
action Bioactive O^N^O^ Schiff base appended homoleptic titanium(IV) complexes: DFT, BSA/CT-DNA interactions, molecular docking and antitumor activity against HeLa and A549 cell lines By pubs.rsc.org Published On :: RSC Adv., 2024, 14,13062-13082DOI: 10.1039/D3RA08574K, Paper Open Access   This article is licensed under a Creative Commons Attribution-NonCommercial 3.0 Unported Licence.Sathish Thanigachalam, Madhvesh PathakFive new homoleptic derivatives of titanium(IV) have been developed and characterized by physicochemical techniques.The content of this RSS Feed (c) The Royal Society of Chemistry Full Article
action Effects of external light in the magnetic field-modulated photocatalytic reactions in a microfluidic chip reactor By pubs.rsc.org Published On :: RSC Adv., 2024, 14,13053-13061DOI: 10.1039/D4RA00415A, Paper Open Access   This article is licensed under a Creative Commons Attribution-NonCommercial 3.0 Unported Licence.Hung Ji Huang, Yen Han Wang, Xuan-Yu Shih, Sy-Hann Chen, Hai-Pang Chiang, Yuan-Fong Chou Chau, Jeffrey Chi-Sheng WuMutual enhancement of plasmonic photocatalytic reaction by both magnetic field and plasmonic enhancement was presented through Au–TiO2 nanoparticles.The content of this RSS Feed (c) The Royal Society of Chemistry Full Article
action Exploring the synthetic potential of epoxide ring opening reactions toward the synthesis of alkaloids and terpenoids: a review By pubs.rsc.org Published On :: RSC Adv., 2024, 14,13100-13128DOI: 10.1039/D4RA01834F, Review Article Open Access   This article is licensed under a Creative Commons Attribution-NonCommercial 3.0 Unported Licence.Madiha Hanif, Ameer Fawad Zahoor, Muhammad Jawwad Saif, Usman Nazeer, Kulsoom Ghulam Ali, Bushra Parveen, Asim Mansha, Aijaz Rasool Chaudhry, Ahmad IrfanEpoxides are oxygen containing three-membered heterocycles which can undergo ring opening reactions. These reactions have been significantly employed in the synthesis of alkaloids and terpenoids-based natural products.The content of this RSS Feed (c) The Royal Society of Chemistry Full Article
action Dispersive micro solid phase extraction of glibenclamide from plasma, urine, and wastewater using a magnetic molecularly imprinted polymer followed by its determination by a high-performance liquid chromatography-photodiode array detector By pubs.rsc.org Published On :: RSC Adv., 2024, 14,13168-13179DOI: 10.1039/D4RA00452C, Paper Open Access   This article is licensed under a Creative Commons Attribution-NonCommercial 3.0 Unported Licence.Najmeh Sabbaghi, Shayessteh Dadfarnia, Ali Mohammad Haji Shabani, Majid FarsadroohThe present study describes the development of a simple and selective analytical method for dispersive micro solid phase extraction and determination of glibenclamide (GLB) using magnetic molecularly imprinted polymer (MMIP) as a sorbent.The content of this RSS Feed (c) The Royal Society of Chemistry Full Article
action Engineering the interaction of short antimicrobial peptides with bacterial barriers By pubs.rsc.org Published On :: Mol. Syst. Des. Eng., 2024, Advance ArticleDOI: 10.1039/D4ME00021H, Minireview Open Access   This article is licensed under a Creative Commons Attribution-NonCommercial 3.0 Unported Licence.Costanza Montis, Elisa Marelli, Francesco Valle, Francesca Baldelli Bombelli, Claudia PigliacelliDesigning short antimicrobial peptides and tuning their interaction with bacterial barriers.To cite this article before page numbers are assigned, use the DOI form of citation above.The content of this RSS Feed (c) The Royal Society of Chemistry Full Article
action Tetrazine-based inverse-electron-demand Diels–Alder reaction: a powerful tool for fabrication and functionalization of polymeric materials By pubs.rsc.org Published On :: Polym. Chem., 2024, 15,4173-4195DOI: 10.1039/D4PY00912F, Review Article Open Access   This article is licensed under a Creative Commons Attribution-NonCommercial 3.0 Unported Licence.Mehmet Arslan, Aysun Degirmenci, Rana Sanyal, Amitav SanyalThe IEDDA click reaction plays an important role in the fabrication and functionalization of polymeric materials.The content of this RSS Feed (c) The Royal Society of Chemistry Full Article
action Rapid formation of antifouling coatings via cation–π interactions By pubs.rsc.org Published On :: Polym. Chem., 2024, 15,4465-4473DOI: 10.1039/D4PY00859F, PaperZhicheng Huang, Kaijie Zhao, Shaoyin Wei, Yingxin Hao, Qina Yu, Jingcheng Hao, Jiwei Cui, Peiyu ZhangAntifouling coatings can be quickly prepared on various substrates through cation–π interactions between copolymers and MPNs. In addition, block copolymers exhibited superior antifouling capabilities compared to random copolymers.The content of this RSS Feed (c) The Royal Society of Chemistry Full Article
action Retraction: Biologically responsive, sustainable release from metallo-drug coordinated 1D nanostructures By pubs.rsc.org Published On :: J. Mater. Chem. B, 2024, 12,11042-11042DOI: 10.1039/D4TB90170C, Retraction Open Access   This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.Naohiro Kameta, Soo Jin Lee, Mitsutoshi Masuda, Toshimi ShimizuThe content of this RSS Feed (c) The Royal Society of Chemistry Full Article
action Chemically engineered exogenous organic reactions in living cells for in situ fluorescence imaging and biomedical applications By pubs.rsc.org Published On :: J. Mater. Chem. B, 2024, Advance ArticleDOI: 10.1039/D4TB01925C, Review ArticleGang Song, Zhiwen Yang, Yiming Huang, Haotian Bai, Fengting Lv, Shu WangKey intracellular in situ synthesis processes, including the synthesis of near-infrared fluorescent dyes, intracellular oxidative cross-linking, polymerization, and bioorthogonal reactions, as well as their biomedical applications were summarized.To cite this article before page numbers are assigned, use the DOI form of citation above.The content of this RSS Feed (c) The Royal Society of Chemistry Full Article
action Nano-Bio Interactions of Gum Arabic-Stabilized Lanthanide-based Upconverting Nanoparticles: In Vitro and In Vivo Study By pubs.rsc.org Published On :: J. Mater. Chem. B, 2024, Accepted ManuscriptDOI: 10.1039/D4TB01579G, PaperHana Mirmajidi, Hyojin Lee, Niepukolie Nipu, Jith Thomas, Zuzana Gajdosechova, David Kennedy, Jan A. Mennigen, Eva HemmerLanthanide-based nanoparticles (Ln-NPs) are highly valued for their unique optical and magnetic properties, making them useful in various scientific fields, including materials science and biomedicine. This study investigated the use...The content of this RSS Feed (c) The Royal Society of Chemistry Full Article
action Reference-free quantitative mass spectrometry in the presence of nonlinear distortion caused by in situ chemical reactions among constituents By pubs.rsc.org Published On :: Analyst, 2024, 149,5320-5328DOI: 10.1039/D4AN00961D, PaperYusuke HibiNonlinear reference-free analysis in pyrolysis-MS enables accurate compositional analysis even in reactive and interactive systems.The content of this RSS Feed (c) The Royal Society of Chemistry Full Article
action In situ study of the interactions between metal surfaces and cationic surfactant corrosion inhibitors by surface-enhanced Raman spectroscopy coupled with visible spectroscopy By pubs.rsc.org Published On :: Analyst, 2024, 149,5372-5380DOI: 10.1039/D4AN00861H, Paper Open Access   This article is licensed under a Creative Commons Attribution-NonCommercial 3.0 Unported Licence.Felix Frank, Daniela Tomasetig, Peter Nahringbauer, Wolfgang Ipsmiller, Gerd Mauschitz, Karin Wieland, Bernhard LendlCoupling Raman and VIS spectroscopy enables the study of AgNP aggregations induced by surfactants.The content of this RSS Feed (c) The Royal Society of Chemistry Full Article
action Acoustic levitation and manipulation of columns of droplets with integrated optical detection for parallelisation of reactions By pubs.rsc.org Published On :: Analyst, 2024, 149,5546-5554DOI: 10.1039/D4AN01096E, Paper Open Access   This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.Ruchi Gupta, Nicholas J. GoddardIn this work, acoustically levitated droplets serve as wells of microtitre plates and are acoustically manipulated to perform chemical and biological reactions in a non-contact fashion.The content of this RSS Feed (c) The Royal Society of Chemistry Full Article
action The effect of hydrogen bonding on the π depletion and the π–π stacking interaction By pubs.rsc.org Published On :: Phys. Chem. Chem. Phys., 2024, 26,27431-27438DOI: 10.1039/D4CP02889A, Paper Open Access   This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.Usman Ahmed, Dage Sundholm, Mikael P. JohanssonCalculations on molecules with self-complementary hydrogen bonding show that hydrogen bonds increase the energy of π–π stacking interactions.The content of this RSS Feed (c) The Royal Society of Chemistry Full Article
action Comparing coupled cluster and composite quantum chemical methods for computing activation energies and reaction enthalpies of radical propagation reactions By pubs.rsc.org Published On :: Phys. Chem. Chem. Phys., 2024, 26,27536-27543DOI: 10.1039/D4CP03676J, PaperTimothy B. Huber, Ralph A. WheelerThe accuracy of DLPNO-CCSD(T)/CBS and composite methods G3(MP2)-RAD and CBS-RAD is assessed against CCSD(T)/aug-cc-pVTZ for activation energies and reaction enthalpies in hydrocarbon radical addition reactions relevant to free radical polymerization.The content of this RSS Feed (c) The Royal Society of Chemistry Full Article
action Modeling interfacial electric fields and the ethanol oxidation reaction at electrode surfaces By pubs.rsc.org Published On :: Phys. Chem. Chem. Phys., 2024, 26,27544-27560DOI: 10.1039/D4CP02765E, Paper Open Access   This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.Yuhan Mei, Fanglin Che, N. Aaron DeskinsThe electrochemical environment present at surfaces can have a large effect on surface reactivity.The content of this RSS Feed (c) The Royal Society of Chemistry Full Article
action High-level ab initio characterization of the OH + CH3NH2 reaction By pubs.rsc.org Published On :: Phys. Chem. Chem. Phys., 2024, Advance ArticleDOI: 10.1039/D4CP01470G, Paper Open Access   This article is licensed under a Creative Commons Attribution-NonCommercial 3.0 Unported Licence.Balázs Gruber, Gábor CzakóHigh-level ab initio computations considering post-CCSD(T), core correlation, scalar relativistic, and spin–orbit effects reveal the stationary-point properties and rate coefficients of the OH + CH3NH2 reaction.To cite this article before page numbers are assigned, use the DOI form of citation above.The content of this RSS Feed (c) The Royal Society of Chemistry Full Article
action A hydrogen passivation strategy for the electrocatalytic chlorine evolution reaction on metal–organic frameworks: a theoretical insight By pubs.rsc.org Published On :: Phys. Chem. Chem. Phys., 2024, Advance ArticleDOI: 10.1039/D4CP03153A, PaperJiake Fan, Lei Yang, Hui Li, Zijian Sun, Mengyun Mei, Weihua ZhuThe chlorine evolution reaction (CER) is a crucial solution for treating chlorine-containing wastewater, a type of wastewater generated during the chemical production process.To cite this article before page numbers are assigned, use the DOI form of citation above.The content of this RSS Feed (c) The Royal Society of Chemistry Full Article
action Photofragmentation and fragment analysis; Coriolis interactions in excited states of CH3 By pubs.rsc.org Published On :: Phys. Chem. Chem. Phys., 2024, Advance ArticleDOI: 10.1039/D4CP03292F, PaperMeng-Xu Jiang, Ágúst KvaranFormation, energetics and fragmentations relevant to the methyl radical, with main emphasis on dramatic effects of Coriolis interaction within its excited states.To cite this article before page numbers are assigned, use the DOI form of citation above.The content of this RSS Feed (c) The Royal Society of Chemistry Full Article
action Intermolecular interaction potential maps from energy decomposition for interpreting reactivity and intermolecular interactions By pubs.rsc.org Published On :: Phys. Chem. Chem. Phys., 2024, Advance ArticleDOI: 10.1039/D4CP03237C, PaperAmin Kiani, Wentong Zhou, Lawrence M. WolfThe development and application of intermolecular interaction potential maps to rationalize a range of interactions at the DFT level using suitable probes is described.To cite this article before page numbers are assigned, use the DOI form of citation above.The content of this RSS Feed (c) The Royal Society of Chemistry Full Article
action Extraction mechanism of phenolic compounds by deep eutectic solvents: DFT and molecular dynamics studies By pubs.rsc.org Published On :: Phys. Chem. Chem. Phys., 2024, Accepted ManuscriptDOI: 10.1039/D4CP03453H, PaperLan Yi, Jinwen Wang, Jixing Liu, Hao Luo, Xiaoqin Wu, Wen-Ying LiThe mechanism of a deep eutectic solvent consisting of choline chloride and glycerol (ChCl/GLY) for extracting phenolic compounds from coal tar was theoretically studied using density functional theory and molecular...The content of this RSS Feed (c) The Royal Society of Chemistry Full Article
action Radical reactions enabled by polyfluoroaryl fragments: photocatalysis and beyond By pubs.rsc.org Published On :: Chem. Soc. Rev., 2024, Advance ArticleDOI: 10.1039/D3CS00889D, Review ArticleMikhail O. Zubkov, Alexander D. DilmanThe review summarizes advances in the radical chemistry of polyfluorinated arenes under photocatalytic conditions. The fluoroaryl fragment serves as enabling motif for the reaction design and efficient generation of reactive intermediates.To cite this article before page numbers are assigned, use the DOI form of citation above.The content of this RSS Feed (c) The Royal Society of Chemistry Full Article
action Construction of olefinic coordination polymer single crystal platforms: precise organic synthesis, in situ exploration of reaction mechanisms and beyond By pubs.rsc.org Published On :: Chem. Soc. Rev., 2024, Advance ArticleDOI: 10.1039/D3CS01050C, Review ArticleQiaoqiao Zhang, Yong Wang, Pierre Braunstein, Jian-Ping LangOlefinic coordination polymers were used as universal single crystal platforms for precise organic synthesis, in situ mechanism exploration and photochemical applications.To cite this article before page numbers are assigned, use the DOI form of citation above.The content of this RSS Feed (c) The Royal Society of Chemistry Full Article
action Squaramide-based receptors in anion supramolecular chemistry: insights into anion binding, sensing, transport and extraction By pubs.rsc.org Published On :: Chem. Soc. Rev., 2024, 53,3952-3975DOI: 10.1039/D3CS01165H, Review Article Open Access   This article is licensed under a Creative Commons Attribution-NonCommercial 3.0 Unported Licence.Giacomo Picci, Riccardo Montis, Vito Lippolis, Claudia CaltagironeSquaramides are a class of extremely versatile receptors for anion recognition, sensing, transport and extraction.The content of this RSS Feed (c) The Royal Society of Chemistry Full Article
action Indian Racing Festival | Chennai dazzles under lights with action-packed races By www.thehindu.com Published On :: Mon, 02 Sep 2024 00:54:34 +0530 The on-track drama was exciting, and barring a minor incident during the first Indian Racing League race, the event passed off without hiccups. Full Article Motorsport
action Carboxylative cyclization of atmospheric CO2 with alkynol catalyzed by a 1-methylhydantoin anion-functionalized ionic liquid via chelative interactions By pubs.rsc.org Published On :: Chem. Commun., 2024, Advance ArticleDOI: 10.1039/D4CC03586K, CommunicationYujun Guo, Tingting Chen, Yingjie Xu[1-MHy]− acts as a “pincer ligand” to form chelative interactions with –OH to enhance MBY activation, thus ensuring efficient [P4442][1-MHy]-catalyzed reaction of atmospheric pressure CO2 with MBY under metal- and solvent-free conditions.To cite this article before page numbers are assigned, use the DOI form of citation above.The content of this RSS Feed (c) The Royal Society of Chemistry Full Article