tal Catalytic copolymerization of carbon dioxide and cyclohexene oxide by a trinuclear cyclohexane-bridged tetradentate Schiff base chromium complex By pubs.rsc.org Published On :: Polym. Chem., 2024, 15,4519-4528DOI: 10.1039/D4PY00956H, PaperJie Huang, Boxiong ShenThe development of catalytic systems is a central area of research in carbon dioxide (CO2) and epoxy copolymerization.The content of this RSS Feed (c) The Royal Society of Chemistry Full Article
tal Interpretable machining learning assisted insights into bifunctional squaramide catalyzed ring-opening polymerization of lactide By pubs.rsc.org Published On :: Polym. Chem., 2024, 15,4562-4569DOI: 10.1039/D4PY00866A, PaperShaoju Cao, Mengting Hong, Junyuan Hu, Zhenjiang Li, Jin Huang, Kai GuoA bifunctional squaramide catalyst with tunable activity enables the controlled ring-opening polymerization of lactide. Combining bench experiments and interpretable machine learning offer insights into catalyst structures, promoting catalyst design.The content of this RSS Feed (c) The Royal Society of Chemistry Full Article
tal Composition-dependent emission colors for biomass-based main-chain luminescent liquid crystalline copolyesters with excellent tensile properties By pubs.rsc.org Published On :: Polym. Chem., 2024, Advance ArticleDOI: 10.1039/D4PY00946K, PaperWei Wang, Jing Wang, Wenting Li, Guangjian Liao, Yuan Qiu, Guochuan Yin, Yonggui Liao, Xiaolin XieThe emission colors of high-performance MCLCPs with biomass-based bifuran and AIE-active cyanostilbene units can be tuned by the composition from blue to cyan, and then to green. Upon UV exposure, the thin film can undergo an emission color change.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
tal A highly active zinc-based catalyst system for lactide homo- and copolymerization under industrially relevant conditions By pubs.rsc.org Published On :: Polym. Chem., 2024, Advance ArticleDOI: 10.1039/D4PY01034E, PaperZisheng Zhang, Yi Zhou, Shuang Liu, Baixue Li, Rui Qu, Yanan Gu, Hongyi Suo, Yusheng QinA guanidine-based zinc catalyst with a rigid backbone exhibited excellent activity in the ring-opening polymerization and copolymerization of lactide.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
tal Dibenzobarrelene-Derived Pd-NHCs: Efficient Precatalysts for the Suzuki-Miyaura Polycondensations of Dichloroarenes Monomers By pubs.rsc.org Published On :: Polym. Chem., 2024, Accepted ManuscriptDOI: 10.1039/D4PY01026D, PaperYuman Guo, Hao Wu, Meng-Jiao Zhang, Feng-Shou LiuThe Pd-catalyzed Suzuki-Miyaura polycondensations (SMPs) has emerged as a powerful method for synthesizing conjugated polymers (CPs). While numerous reports have utilized dibromoarene and diiodoarene derivatives as monomers, research on the...The content of this RSS Feed (c) The Royal Society of Chemistry Full Article
tal Metal–organic frameworks: potential synergies with cold atmospheric plasmas for cancer control By pubs.rsc.org Published On :: J. Mater. Chem. B, 2024, 12,10770-10785DOI: 10.1039/D4TB00968A, Review ArticleXiaofeng Dai, Yixuan YangMOFs can act as cargo-carriers, nano-enzymes, and magnetic MOFs. CAPs, interacting with cell receptors to generate primary and secondary 1O2, may synergize with MOFs for oncotherapy via acting as cargos, substrates, and magnetic sensing agents.The content of this RSS Feed (c) The Royal Society of Chemistry Full Article
tal Crystallization ripening and erosion of calcium oxalate under the effect of bacteria and a polymer materials surface By pubs.rsc.org Published On :: J. Mater. Chem. B, 2024, 12,10893-10901DOI: 10.1039/D4TB01780C, PaperXiran Shen, Wentao Chen, Li Guo, Huayu Li, Hong Chen, Fan LiuNew insights into the role of bacteria in pathological biomineralization inspire novel anti-encrustation polymer material design for biomedical use.The content of this RSS Feed (c) The Royal Society of Chemistry Full Article
tal An in situ-activated and chemi-excited photooxygenation system based on G-poly(thioacetal) for Aβ1–42 aggregates By pubs.rsc.org Published On :: J. Mater. Chem. B, 2024, 12,10850-10860DOI: 10.1039/D4TB01147C, CommunicationShasha Liu, Yanping Li, Jinrong Yang, Lei Zhang, Jinwu YanBD-6-QM/NPs are chemically activated by H2O2 to produce 1O2, inhibit Aβ1–42 aggregation, promote BV2 phagocytosis of Aβ1–42, and alleviate Aβ1–42-induced neurotoxicity.The content of this RSS Feed (c) The Royal Society of Chemistry Full Article
tal 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
tal Efficient bionic nanozyme based on AuPt NPs@ZIF-90 used for cyclic catalysis multimodal tumor therapy By pubs.rsc.org Published On :: J. Mater. Chem. B, 2024, Advance ArticleDOI: 10.1039/D4TB01987C, PaperWan Huang, Song Zhang, Li Luo, Yalong Pan, Lijun Han, Yao YuNovel efficient bionic nanozyme based on AuPt NPs@ZIF-90 used for cyclic catalysis multimodal tumor therapy.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
tal Evaluation of Alkyl Chain Length and Photocatalytic Antibacterial Performance of Cation g-C3N4 By pubs.rsc.org Published On :: J. Mater. Chem. B, 2024, Accepted ManuscriptDOI: 10.1039/D4TB01118J, PaperJunling Leng, Xuanwei Liu, Yin Xu, shien zhu, Yuefei Zhang, Zhongbing Tan, Xiaofei Yang, Jia-En Jin, YuFeng Shi, Fan Hongying, Yi Yang, Hang Yao, Yu Zhang, Hui Chong, Chengyin WangSeveral cation graphite carbon nitrides (g-C3N4-(CH2)n-ImI+) were synthesized by chemically attaching imidazolium appended alkane chains with different lengths (n = 2, 4, 8, 12 and 16) to g-C3N4. Introduction of...The content of this RSS Feed (c) The Royal Society of Chemistry Full Article
tal Nanocrystalline alloy-mediated delivery of mosaic epitope peptides for universal influenza vaccine By pubs.rsc.org Published On :: J. Mater. Chem. B, 2024, Advance ArticleDOI: 10.1039/D4TB00742E, PaperHongyu Wang, Han Fu, Liyan Zhai, Jiaqing Le, Bohan Guo, Yuyang Zhou, Chenlin Ji, Dapeng Li, Yue ZhangMosaic influenza antimicrobial peptide-like epitopes (Ampitopes) co-crystalize with poly(I:C), a TLR3 agonist, into nanocrystalline vaccine, which boosts immunogenicity via multivalent toll like receptor 3 (TLR3) binding and immune activation.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
tal Improving the sulfite-detection performance of a fluorescent probe via post-synthetic modification with a metal–organic framework By pubs.rsc.org Published On :: J. Mater. Chem. B, 2024, 12,11251-11258DOI: 10.1039/D4TB01754D, PaperJing-Yi Shi, Bin Wang, Xin-Yue Cui, Xiao-Wei Hu, Hai-Liang Zhu, Yu-Shun YangIn this work, a post-synthetic modification strategy was attempted to improve the performance of the probe for sulfite detection.The content of this RSS Feed (c) The Royal Society of Chemistry Full Article
tal Drug-delivery and biological activity in colorectal cancer of a supramolecular porous material assembled from heptameric chromium-copper-adenine entities By pubs.rsc.org Published On :: J. Mater. Chem. B, 2024, 12,11156-11164DOI: 10.1039/D4TB01521E, PaperSandra Mena-Gutiérrez, Ekain Maiza-Razkin, Jon Pascual-Colino, Marcos J. Araúzo-Bravo, Garikoitz Beobide, Oscar Castillo, Ainara Castellanos-Rubio, Daniela Gerovska, Antonio Luque, Sonia Pérez-YáñezSupramolecular metal-organic porous materials as drug delivery systems, modulation of the release kinetics using cholesterol as pore blocking agent and its impact on colorectal cancer cell cultures: cytotoxicity and RNA-seq transcriptomics studies.The content of this RSS Feed (c) The Royal Society of Chemistry Full Article
tal Eco-Friendly Self-Clean Coatings: Fundamentals, Fabrication, Applications, and Sustainability By pubs.rsc.org Published On :: J. Mater. Chem. B, 2024, Accepted ManuscriptDOI: 10.1039/D4TB01392A, Review ArticleTanaji K. Chavan, Sushanta Kumar K. SethiEco-friendly self-clean coatings have garnered significant attention due to their potential to address environmental concerns while offering remarkable properties. This review explores the dynamic field of such coatings, focusing on...The content of this RSS Feed (c) The Royal Society of Chemistry Full Article
tal Bimetallic doped carbon dot nanozymes for enhanced sonodynamic and nanocatalytic therapy By pubs.rsc.org Published On :: J. Mater. Chem. B, 2024, Accepted ManuscriptDOI: 10.1039/D4TB01916D, PaperYandong Huang, Lanting Jia, Shiqi Zhang, Lan Yan, Lei LiThe conventional inorganic semiconductors are not suitable for acting as nanozymes or sonosensitizers for in vivo therapeutic nanomedicine owing to the lack of excellent biocompatibility. Biocompatible carbon dots (CDs) exhibit...The content of this RSS Feed (c) The Royal Society of Chemistry Full Article
tal Shreyas Talpade brings comedy to *your* home By www.rediff.com Published On :: Thu, 24 Jan 2019 13:43:45 +0530 My Name Ijj Lakhan premieres on January 26. Full Article Shreyas Talpade Deeksha Kanwal Sonalkar Archana Puran Singh Barkha Bisht Ayub Khan Nasir Khan Aamir Ali Smita Gondkar Manasi Scott Rupali Ganguly Raina Joshi Deepshikha Nagpal Parmeet Sethi Pradeep Bandekar Kishwer Merchant Indraneil Sengupta
tal Bigg Boss 16: Abdu-Nimrit's 'love talks' By www.rediff.com Published On :: Fri, 28 Oct 2022 15:36:04 +0530 Abdu Roziq arrived in the house with a lot of confidence and quickly charmed the audience with his cute quirks. Full Article
tal Gufi Paintal Of Mahabharat Fame Dies By www.rediff.com Published On :: Mon, 05 Jun 2023 15:24:16 +0530 Gufi Paintal, best known for playing Shakuni mama in the epic television serial Mahabharat, died on Monday at a Mumbai hospital due to age-related issues. He was 79. Full Article
tal Metallica, U2 and albums that built a band By www.thehindubusinessline.com Published On :: Tue, 06 Jul 2021 13:19:47 +0530 The one watershed album that spurred bands to stardom and changed their fortunes forever Full Article Watch
tal Raising a hospital: The Akole model By www.thehindubusinessline.com Published On :: Thu, 15 Jul 2021 11:30:55 +0530 When finding a hospital bed proved daunting during the devastating second wave of Covid-19, the villagers of the Maharashtra taluk got together to set up makeshift healthcare centres Full Article Cover
tal ‘You go to meet the prime minister and all you can talk about is my bluddy swimming pool?’ By www.thehindubusinessline.com Published On :: Sun, 01 Aug 2021 10:32:15 +0530 When prime minister Rajiv Gandhi was lectured on free market economics, and cornered about the luxury addition in Satish Sharma’s farmhouse Full Article Read
tal Quiz on bureaucrats who had other talents By www.thehindubusinessline.com Published On :: Sat, 28 Aug 2021 10:13:41 +0530 It’s the birth anniversary of poet, playwright and novelist Johann Wolfgang von Goethe, one of the most influential writers in German literature. He was also a civil servant for Karl August, the Grand Duke of Weimar and held many administrative posts. This week, we look at civil servants and bureaucrats who had other talents. Full Article Hang
tal When Will Smith gets talking... By www.rediff.com Published On :: Tue, 19 Dec 2017 14:11:20 +0530 'It's like we were saying the Dark Lord is coming. We weren't thinking of Donald Trump.' Full Article Rediff Hitesh Will Smith Shekhar Ravjiani Rishab Joshi Vishal Dadlani Prayag Mehta Afsar Dark Lord India
tal Game Of Thrones, Handmaid's Tale lead Emmy noms By www.rediff.com Published On :: Fri, 13 Jul 2018 15:55:17 +0530 The Emmy nominations for 2018. Full Article
tal Integration of paper-based analytical devices with digital microfluidics for colorimetric detection of creatinine By pubs.rsc.org Published On :: Analyst, 2024, Advance ArticleDOI: 10.1039/D4AN00688G, PaperLarissa G. Velasco, Danielly S. Rocha, Richard P. S. de Campos, Wendell K. T. ColtroDigital microfluidics (DMF) is a platform that allows the automated manipulation of individual droplets, ranging from nanoliters to microliters, and coupling sensing techniques can be facilitated by paper-based devices (PAD).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
tal Revealing the heterogeneous catalytic kinetics of PtRu nanocatalysts at the single particle level By pubs.rsc.org Published On :: Analyst, 2024, 149,5184-5190DOI: 10.1039/D4AN01017E, Paper Open Access   This article is licensed under a Creative Commons Attribution-NonCommercial 3.0 Unported Licence.Bowei Zhang, Dezheng Zhang, Jinpeng Bao, Ce Han, Ping Song, Weilin XuThe difference in kinetic information among PtRu bimetallic nanocatalysts, Pt and Ru monometallic nanocatalysts is revealed by the single-molecule fluorescence technique.The content of this RSS Feed (c) The Royal Society of Chemistry Full Article
tal An ultra-sensitive ammonia sensor based on a quartz crystal microbalance using nanofibers overlaid with carboxylic group-functionalized MWCNTs By pubs.rsc.org Published On :: Analyst, 2024, 149,5191-5205DOI: 10.1039/D4AN01061B, PaperAhmad Hasan As'ari, Rizky Aflaha, Laila Katriani, Ahmad Kusumaatmaja, Iman Santoso, Rike Yudianti, Kuwat TriyanaUtilizing the specific interaction between carboxylic groups and ammonia gas has led to the development of an ultra-sensitive ammonia sensor based on a quartz crystal microbalance using nanofibers overlaid with carboxylic group-functionalized MWCNTs.The content of this RSS Feed (c) The Royal Society of Chemistry Full Article
tal Automatic detection of fluorescent droplets for droplet digital PCR: a device capable of processing multiple microscope images By pubs.rsc.org Published On :: Analyst, 2024, 149,5213-5224DOI: 10.1039/D4AN01028K, PaperKaihao Mao, Ye Tao, Wenshang Guo, Qisheng Yang, Meiying Zhao, Xiangyu Meng, Yinghao Zhang, Yukun RenAn automated microscope image detection device (A-MMD) is designed to detect fluorescent droplets in droplet digital PCR images captured by multiple microscopes.The content of this RSS Feed (c) The Royal Society of Chemistry Full Article
tal 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
tal α-MnO2 catalysts with efficient ozone-catalyzed decomposition under high humidity conditions By pubs.rsc.org Published On :: Analyst, 2024, Accepted ManuscriptDOI: 10.1039/D4AN01095G, PaperJiafan Ji, Qianqian Yan, Yi Chen, Gaosheng Zhao, Bin Jia, Li Xu, Ping ChengGround-level ozone pollution poses significant risks to both ecosystems and human health, necessitating the implementation of effective control strategies. This investigtion concentrated on a monolithic ozone degradation catalyst composed of...The content of this RSS Feed (c) The Royal Society of Chemistry Full Article
tal Participation of transition metal atoms in noncovalent bonds By pubs.rsc.org Published On :: Phys. Chem. Chem. Phys., 2024, 26,27382-27394DOI: 10.1039/D4CP03716B, PaperSteve ScheinerAll metals of the d-block are capable of forming σ and π-hole bonds to a nucleophile. Some of these bonds are typical of noncovalent bonds, but others are strong enough to be characterized as a covalent coordinate bond.The content of this RSS Feed (c) The Royal Society of Chemistry Full Article
tal Experimental and theoretical study of the Sn–O bond formation between atomic tin and molecular oxygen By pubs.rsc.org Published On :: Phys. Chem. Chem. Phys., 2024, 26,27763-27771DOI: 10.1039/D4CP03687E, PaperIakov A. Medvedkov, Anatoliy A. Nikolayev, Shane J. Goettl, Zhenghai Yang, Alexander M. Mebel, Ralf I. KaiserIn this article, we combine state-of-art electronic structure calculations and crossed beam experiments to expose the reaction dynamics of 120Sn(3Pj) + 16O2(X3Σ−g) → 120Sn16O(X1Σ+) + 16O(3P) reaction that involve extensive ISC.The content of this RSS Feed (c) The Royal Society of Chemistry Full Article
tal New metallic ice phase under high pressure By pubs.rsc.org Published On :: Phys. Chem. Chem. Phys., 2024, 26,27783-27790DOI: 10.1039/D4CP02543A, PaperYingying Huang, Liuyuan Zhu, Hanlin Li, Haiping Fang, Ruoyang Chen, Shiqi ShengNovel NaO2-Pa3 ice with cubic structure and face-centered cubic sublattice exhibits metallic property, owing to the electron orbital coupling of oxygen atoms in close proximity.The content of this RSS Feed (c) The Royal Society of Chemistry Full Article
tal Fundamental basis of mechanochemical reactivity By pubs.rsc.org Published On :: Phys. Chem. Chem. Phys., 2024, 26,27245-27247DOI: 10.1039/D4CP90153C, EditorialAdam A. L. Michalchuk, Francesco DeloguThis themed collection includes a collection of articles on the fundamental basis of mechanochemical reactivity.The content of this RSS Feed (c) The Royal Society of Chemistry Full Article
tal Two-dimensional Janus XWZAZ' (X = S, Se, Te; A = Si, Ge; Z, Z' = N, P, As): candidates for photocatalytic water splitting and piezoelectric materials By pubs.rsc.org Published On :: Phys. Chem. Chem. Phys., 2024, 26,27314-27324DOI: 10.1039/D4CP03503H, PaperZhen Gao, Hongbo Wu, Yao He, Kai XiongJanus two-dimensional (2D) materials exhibit strong light absorption and high solar-to-hydrogen conversion efficiency, making them promising candidates for photocatalytic water splitting applications.The content of this RSS Feed (c) The Royal Society of Chemistry Full Article
tal Strategy for predicting catalytic activity of catalysts with hierarchical nanostructures By pubs.rsc.org Published On :: Phys. Chem. Chem. Phys., 2024, 26,27371-27381DOI: 10.1039/D4CP03102D, PaperZidi Zhu, Daoming Huan, Jingchao Yuan, Dan Zhang, Aijun Li, Jiujun ZhangThis study constructs a multiphysics model that successfully replicates experimental results, introducing an improved Thiele modulus to enhance the prediction of catalytic activity in hierarchical nanostructured SOFC electrodes.The content of this RSS Feed (c) The Royal Society of Chemistry Full Article
tal A theoretical investigation on the OER and ORR activity of graphene-based TM–N3 and TM–N2X (X = B, C, O, P) single atom catalysts by density functional theory calculations By pubs.rsc.org Published On :: Phys. Chem. Chem. Phys., 2024, Advance ArticleDOI: 10.1039/D4CP03779K, PaperJiaxiang Wu, Erjun Kan, Cheng ZhanPromising ORR/OER single atom catalysts have been designed in the form of TM–N2X via DFT simulation.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
tal Unveiling the potential of aluminum-decorated 3D phosphorus graphdiyne as a catalyst for N2O reduction By pubs.rsc.org Published On :: Phys. Chem. Chem. Phys., 2024, 26,27677-27683DOI: 10.1039/D4CP02686A, PaperShehzad Ahmed, Adnan Ali Khan, Danish Khan, Awais Ghani, Rashid Ahmad, Tian Xiaoqing, Imran MuhammadThis study reveals the exceptional reactivity and efficiency of 3D-Al/PGDYN catalysts for the reduction of N2O and CO with minimal energy barriers.The content of this RSS Feed (c) The Royal Society of Chemistry Full Article
tal Experimental and simulation study of reverse micelles formed by aerosol-OT and water in non-polar solvents By pubs.rsc.org Published On :: Phys. Chem. Chem. Phys., 2024, 26,27772-27782DOI: 10.1039/D4CP03389B, Paper Open Access   This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.Angie Mat'usová, Georgina Moody, Peter J. Dowding, Julian Eastoe, Philip J. CampSmall-angle neutron scattering and molecular dynamics simulations are used to characterise aerosol-OT reverse micelles. Simulations capture spontaneous self-assembly, compare favourably with experiments, and give microscopic information.The content of this RSS Feed (c) The Royal Society of Chemistry Full Article
tal A combination of experimental and theoretical methods in evaluating triazole derivatives' mild steel corrosion inhibition ability in an acidic solution By pubs.rsc.org Published On :: Phys. Chem. Chem. Phys., 2024, Advance ArticleDOI: 10.1039/D4CP03537B, PaperNgo Hong Cat Van, Nguyen Quang Trung, Pham Dinh Tu Tai, Pham Cam Nam, Dinh Quy HuongThe introduction of many nitrogen heteroatoms into inhibitor molecules improves corrosion inhibition efficiency.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
tal Direct capture of the alanine ghost in alanine-doped triglycine sulfate crystals By pubs.rsc.org Published On :: Phys. Chem. Chem. Phys., 2024, Advance ArticleDOI: 10.1039/D4CP03839H, Communication Open Access   This article is licensed under a Creative Commons Attribution-NonCommercial 3.0 Unported Licence.Yukana Terasawa, Toshimichi Shibue, Toru Asahi 15 N-labelled L-alanine in TGS crystals was directly observed by solid 15N-NMR, with two chemical states of alanine doped into GI being reported and a new crystal structure model proposed.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
tal Laser-induced fabrication of a supercooled liquid droplet embedded in an ice microcrystal By pubs.rsc.org Published On :: Phys. Chem. Chem. Phys., 2024, Advance ArticleDOI: 10.1039/D4CP03529A, PaperShuichi Hashimoto, Takayuki UwadaNear-IR laser-induced melting of ice microparticles proceeded with formation and growth of liquid domains in the ice lattice, resulting in a liquid droplet encapsulated in a microparticle.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
tal DFT rationalization of the mechanism and selectivity in a gold-catalyzed oxidative cyclization of diynones with alcohols By pubs.rsc.org Published On :: Phys. Chem. Chem. Phys., 2024, Advance ArticleDOI: 10.1039/D4CP01700E, PaperGuowei Yan, Ji Ma, Simeng Qi, Alexander M. Kirillov, Lizi Yang, Ran FangThe mechanism, regioselectivity, and chemoselectivity in a gold-catalyzed oxidative cyclization of diynones with alcohols to give furan-3-carboxylate derivatives were explored by density functional theory (DFT).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
tal Insight into physico-chemical properties of oxalatoborate-based ionic liquids through combined experimental-theoretical characterization By pubs.rsc.org Published On :: Phys. Chem. Chem. Phys., 2024, Advance ArticleDOI: 10.1039/D4CP02296C, Paper Open Access   This article is licensed under a Creative Commons Attribution-NonCommercial 3.0 Unported Licence.Matteo Palluzzi, Giorgia Mannucci, Akiko Tsurumaki, Matteo Busato, Maria Assunta Navarra, Paola D’AngeloAn anion–anion attraction was inferred from the thermal behavior of oxalate-borate ionic liquids and confirmed through computational methods.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
tal Influence of symmetry breaking on the absorption spectrum of crystal violet: from isolated cations at 5 K to room temperature solutions By pubs.rsc.org Published On :: Phys. Chem. Chem. Phys., 2024, Advance ArticleDOI: 10.1039/D4CP03825H, Paper Open Access   This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.Alexander Schäfer, Samuele Giannini, Dmitry Strelnikov, Theresa Mohr, Fabrizio Santoro, Javier Cerezo, Manfred M. KappesTheoretical and experimental spectroscopy of crystal violet resolves the influence of temperature and symmetry breaking on absorption properties in different environments.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
tal Exploring the electrochemical properties and lithium insertion mechanisms in akaganeite (β-FeOOH) – a combined DFT/experimental study By pubs.rsc.org Published On :: Phys. Chem. Chem. Phys., 2024, Advance ArticleDOI: 10.1039/D4CP02947J, PaperPaulo Roberto Garcês Gonçalves, Heitor Avelino De Abreu, Luciano Andrey Montoro, Gabriela Cordeiro Silva, Angela de Mello Ferreira, Hélio Anderson DuarteUnveiling the unique charge/discharge characteristics of akaganeite offers valuable insights into electron transfer mechanisms through experimental and DFT calculations.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
tal Effects of surface oxygen vacancy on CO2 adsorption and its activation towards C2H4 using metal (Cu, Pd, CuPd) cluster-loaded TiO2 catalysts: A first principles study By pubs.rsc.org Published On :: Phys. Chem. Chem. Phys., 2024, Accepted ManuscriptDOI: 10.1039/D4CP03507K, PaperSajjad Hussain, Lina Zhang, Zhengzheng Xie, Jianjun Yang, Qiuye LiThe conversion of the highly selective CO2 reduction reaction (CO2RR) into desired value-added multicarbon compounds, like C2H4, is crucial, but it is mainly constrained by high energy barrier for C-C...The content of this RSS Feed (c) The Royal Society of Chemistry Full Article
tal 20-electron exohedral alkaline-earth-metallofullerenes M(C60)3 (M = Ca, Sr, Ba) By pubs.rsc.org Published On :: Phys. Chem. Chem. Phys., 2024, Accepted ManuscriptDOI: 10.1039/D4CP03404J, PaperFeiyang Huang, Jian Zhou, Tao YangElectron counting rules are powerful for determination of chemically stable complexes for various elemental groups. While the 18-electron rule has been established for transition metals, recent experiments have discovered that...The content of this RSS Feed (c) The Royal Society of Chemistry Full Article
tal 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