mi Barbie, Oppenheimer Lead Golden Globe Nominations By www.rediff.com Published On :: Tue, 12 Dec 2023 11:41:51 +0530 The nominations for the 81st annual Golden Globes are out, and Barbie and Succession lead the list. Full Article
mi Oscar Nominations: A Quick Glance By www.rediff.com Published On :: Tue, 23 Jan 2024 20:30:10 +0530 The nominations for the 96th annual Academy Awards have been announced. Full Article
mi 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
mi Towards the rational design of N-(1,3-dimethylbutyl)-N'-phenyl-1,4-benzenediamine (6PPD) electrochemical sensor By pubs.rsc.org Published On :: Analyst, 2024, 149,5165-5173DOI: 10.1039/D4AN00973H, PaperEmily Dominique, Christophe RenaultThe strong adsorption of 6PPD onto glassy carbon and its reversible two electron oxidation enables simple and sensitive electrochemical detection with an LOD of 10 nM.The content of this RSS Feed (c) The Royal Society of Chemistry Full Article
mi Rapid quantification of disaccharide isomers by derivatization in combination with ion mobility spectrometry in beer and milk By pubs.rsc.org Published On :: Analyst, 2024, 149,5298-5305DOI: 10.1039/D4AN00995A, PaperKeqi Ye, Jiacheng Ye, Yinghua Yan, Chuan-Fan DingThis work introduces rapid quantification of disaccharide isomers by derivatization in combination with ion mobility spectrometry in beer and milk.The content of this RSS Feed (c) The Royal Society of Chemistry Full Article
mi A novel electrochemiluminescent sensor based on AgMOF@N-CD composites for sensitive detection of trilobatin By pubs.rsc.org Published On :: Analyst, 2024, 149,5265-5276DOI: 10.1039/D4AN01102C, PaperLongmei Yao, Xue Mei, Jiajia Zhi, Wenchang Wang, Qingyi Li, Ding Jiang, Xiaohui Chen, Zhidong ChenIn this study, a novel electrochemiluminescent (ECL) sensor for highly sensitive detection of trilobatin (Tri) was developed based on silver metal–organic frameworks (AgMOFs) and nitrogen-doped carbon quantum dots (N-CDs).The content of this RSS Feed (c) The Royal Society of Chemistry Full Article
mi A cerium-doped tungsten trioxide-functionalized sensing platform for photoelectrochemical detection of ascorbic acid with high sensitivity By pubs.rsc.org Published On :: Analyst, 2024, 149,5206-5212DOI: 10.1039/D4AN01165A, PaperXueying Zhu, Tikai Liang, Dianping TangA highly efficient photoelectrochemical (PEC) strategy was proposed for the determination of ascorbic acid (AA).The content of this RSS Feed (c) The Royal Society of Chemistry Full Article
mi 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
mi 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
mi Detection of several volatile organic compounds through Ar+ induced chemical ionisation using inductively coupled plasma-tandem mass spectrometry (ICP-MS/MS) By pubs.rsc.org Published On :: Analyst, 2024, 149,5174-5183DOI: 10.1039/D4AN00996G, PaperTakafumi Hirata, Kyoko Kobayashi, Hui Hsin Khoo, Osamu Shikino, Hisashi AsanumaA new analytical technique for detection of organic compounds using inductively coupled plasma-tandem mass spectrometry (ICP-MS/MS) is described.The content of this RSS Feed (c) The Royal Society of Chemistry Full Article
mi Current trends in electrochemical approaches for liver biomarker detection: a mini-review By pubs.rsc.org Published On :: Analyst, 2024, 149,5156-5164DOI: 10.1039/D4AN01109K, Minireview Open Access   This article is licensed under a Creative Commons Attribution-NonCommercial 3.0 Unported Licence.Derya Yaman, Melanie Jimenez, Sofia Ferreira Gonzalez, Damion CorriganElectrochemical detection of liver biomarkers, including aspartate aminotransferase (AST), alanine aminotransferase (ALT), bilirubin, gamma-glutamyl transferase (GGT), alkaline phosphatase (ALP), and albumin, all with vital physiological functions.The content of this RSS Feed (c) The Royal Society of Chemistry Full Article
mi 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
mi Alterations of the chemical profile of cholesterol in cancer tissue as traced with ToF-SIMS By pubs.rsc.org Published On :: Analyst, 2024, 149,5344-5352DOI: 10.1039/D4AN01050G, Paper Open Access   This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.Auraya Manaprasertsak, Julhash U. Kazi, Catharina Hagerling, Kenneth J. Pienta, Per Malmberg, Emma U. HammarlundThis study uses Time-of-Flight Secondary Ion Mass Spectrometry (ToF-SIMS) to analyze cholesterol alterations in cancer tissue, revealing changes in fragmentation and isotopes that suggest potential diagnostic vulnerabilities.The content of this RSS Feed (c) The Royal Society of Chemistry Full Article
mi Microfluidic methods for the diagnosis of acute respiratory tract infections By pubs.rsc.org Published On :: Analyst, 2024, Advance ArticleDOI: 10.1039/D4AN00957F, Tutorial Review Open Access   This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.Kan-Zhi Liu, Ganghong Tian, Alex C.-T. Ko, Matthias Geissler, Lidija Malic, Byeong-Ui Moon, Liviu Clime, Teodor VeresWe review emerging methods for the detection of acute respiratory tract infections using microfluidic technologies.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
mi Surface-enhanced Raman spectroscopy with single cell manipulation by microfluidic dielectrophoresis By pubs.rsc.org Published On :: Analyst, 2024, Advance ArticleDOI: 10.1039/D4AN00983E, PaperKwanhwi Ko, Hajun Yoo, Sangheon Han, Won Seok Chang, Donghyun KimThe combination of dielectrophoresis and surface-enhanced Raman spectroscopy provides an effective method for analyzing the Raman characteristics and the dielectrophoretic behavior of polystyrene beads and U-87MG cells in a microfluidic environment.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
mi Hyperpolarised [2-13C]-pyruvate by 13C SABRE in an acetone/water mixture By pubs.rsc.org Published On :: Analyst, 2024, Advance ArticleDOI: 10.1039/D4AN01005A, Paper Open Access   This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.Oksana A. Bondar, Gamal A. I. Moustafa, Thomas B. R. RobertsonThe NMR hyperpolarisation technique SABRE has been used to hyperpolarise 13C labelled pyruvate in a predominantly aqueous solution which has then been measured by benchtop NMR.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
mi Phenoxy-1,2-dioxetane-Based Activatable Chemiluminescent Probes: Tuning of Photophysical Properties for Tracing Enzymatic Activities in Living Cells By pubs.rsc.org Published On :: Analyst, 2024, Accepted ManuscriptDOI: 10.1039/D4AN01082E, Critical Review Open Access   This article is licensed under a Creative Commons Attribution-NonCommercial 3.0 Unported Licence.Jagpreet Singh Sidhu, Gurjot Kaur, Atharva Rajesh Chavan, Mandeep Chahal, Rajeev TaliyanThe use of chemiluminophores for tracing enzymatic activities in live-cell imaging has gained significant attention, making them valuable tools for diagnostic applications. Among various chemiluminophores, the phenoxy-1,2-dioxetane scaffold exhibits significant...The content of this RSS Feed (c) The Royal Society of Chemistry Full Article
mi Advancing triage of acute lymphoblastic leukaemia subtypes diagnosis: label-free Raman spectroscopy for precise single-cell phenotyping and subtype classification By pubs.rsc.org Published On :: Analyst, 2024, 149,5443-5454DOI: 10.1039/D4AN00956H, PaperPatrycja Leszczenko, Anna M. Nowakowska, Patrycja Dawiec, Karolina Czuja, Justyna Jakubowska, Marta Zabczynska, Agata Pastorczak, Kinga Ostrowska, Szymon Tott, Wojciech Mlynarski, Malgorzata Baranska, Katarzyna MajznerAcute lymphoblastic leukaemia (ALL) is a complex disease in pediatric oncology, necessitating accurate diagnostic strategies for effective treatment planning.The content of this RSS Feed (c) The Royal Society of Chemistry Full Article
mi Electrochemical and imaging evaluations of electrochemically activated screen-printed gold electrodes By pubs.rsc.org Published On :: Analyst, 2024, 149,5401-5410DOI: 10.1039/D4AN00990H, PaperNor Dyana Zakaria, Ibrahim Luqman Salih, Hairul Hisham Hamzah, Turgut Sönmez, Muhamad Huzaifah Omar, Noorhashimah Mohamad Nor, Khairunisak Abdul Razak, Venugopal BalakrishnanThe graphic abstract displays the integration of the SPGE measurement system with an electrochemical cell-based 3D printing to evaluate the electrochemical behaviors and 3D images of both unactivated and activated SPGEs.The content of this RSS Feed (c) The Royal Society of Chemistry Full Article
mi Evaluating protocols for reproducible targeted metabolomics by NMR By pubs.rsc.org Published On :: Analyst, 2024, 149,5423-5432DOI: 10.1039/D4AN01015A, PaperDarcy Cochran, Panteleimon G. Takis, James L. Alexander, Benjamin H. Mullish, Nick Powell, Julian R. Marchesi, Robert PowersEvaluating how sample preparation methods and data analysis platforms impact measured metabolite concentrations underscores the need for a universal consensus in the followed approaches for metabolomics data analysis.The content of this RSS Feed (c) The Royal Society of Chemistry Full Article
mi Screen printed 3D microfluidic paper-based and modifier-free electroanalytical device for clozapine sensing By pubs.rsc.org Published On :: Analyst, 2024, 149,5411-5422DOI: 10.1039/D4AN01136H, Paper Open Access   This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.Mohammad Hossein Ghanbari, Markus Biesalski, Oliver Friedrich, Bastian J. M. EtzoldScreen printing was employed for the first time to examine the effect of electrode size and arrangement on the performance of a microfluidic paper-based electroanalytical device for clozapine sensing.The content of this RSS Feed (c) The Royal Society of Chemistry Full Article
mi Effects of media composition and light exposure on the electrochemical current response during scanning electrochemical microscopy live cell imaging By pubs.rsc.org Published On :: Analyst, 2024, 149,5555-5562DOI: 10.1039/D4AN01075B, PaperNikita Thomas, Mengzhen Lyu, Jadon Khouv, Dhésmon Lima, Sabine KussThe cellular electrochemical current response is impacted by media composition and light exposure during scanning electrochemical microscopy (SECM).The content of this RSS Feed (c) The Royal Society of Chemistry Full Article
mi Imaging specific proteins in living cells with small unnatural amino acid attached Raman reporters By pubs.rsc.org Published On :: Analyst, 2024, 149,5476-5481DOI: 10.1039/D4AN00758A, PaperErli Cai, Yage Chen, Jing Zhang, Haozheng Li, Yiran Li, Shuai Yan, Zhiyong He, Quan Yuan, Ping WangFor living HeLa cells, we report a small and minimally-invasive Raman reporter (about 2 aa and <1 kDa), which can be site-specifically introduced into proteins by genetic codon expansion combined with tetrazine ligation.The content of this RSS Feed (c) The Royal Society of Chemistry Full Article
mi Designing a novel paper-based microfluidic disc for rapid and simultaneous determination of multiple nutrient salts in water By pubs.rsc.org Published On :: Analyst, 2024, 149,5563-5571DOI: 10.1039/D4AN01127A, PaperZhentao Sun, Youquan Zhao, Yameng Liu, Chen Chen, Hao ChenA paper-based microfluidic disc is used for the rapid determination of various nutrients in water.The content of this RSS Feed (c) The Royal Society of Chemistry Full Article
mi Electrochemical Sensing of Sodium ions present in Bovine Serum using 4-tert Butylcalix[4]arene as Receptor By pubs.rsc.org Published On :: Analyst, 2024, Accepted ManuscriptDOI: 10.1039/D4AN01297F, PaperAdrian Ebenazer Paul, Gaurav Gaur, Abdullah Alswieleh, Jerry J. Wu, Sambandam AnandanThe concentration of sodium ions can cause severe imbalances (high pressure on blood vessels, swelling of the muscular tissues, and misfunctioning of the whole nervous system) to the system in...The content of this RSS Feed (c) The Royal Society of Chemistry Full Article
mi Capillary-flow driven microfluidic sensor based on tyrosinase for fast user-friendly assessment of pesticide exposures By pubs.rsc.org Published On :: Analyst, 2024, Advance ArticleDOI: 10.1039/D4AN01203H, Paper Open Access   This article is licensed under a Creative Commons Attribution-NonCommercial 3.0 Unported Licence.Claire E. Hefner, Prakash Aryal, Eric Brack, Todd Alexander, Charles S. HenryAssessment of pesticide exposure using a fast-flow capillary device (created with Bio.Render.com).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
mi 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
mi Generation, manipulation, detection and biomedical applications of magnetic droplets in microfluidic chips By pubs.rsc.org Published On :: Analyst, 2024, Advance ArticleDOI: 10.1039/D4AN01175A, MinireviewChenyang Xu, Huanhuan Shi, Zhongjian Tan, Yun Zheng, Weizheng Xu, Zhengxian Dan, Jiacong Liao, Zhiying Dai, Yali ZhaoThis review discusses the formation and manipulation of magnetic droplets on microfluidic chips and classifies related detection techniques. Applications in biomedicine were reviewed. Future development of this emerging field is provided.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
mi Structural determination of fructooligosaccharides and raffinose family oligosaccharides using logically derived sequence tandem mass spectrometry By pubs.rsc.org Published On :: Analyst, 2024, Advance ArticleDOI: 10.1039/D4AN00872C, PaperChia Yen Liew, Wun-Long Li, Chi-Kung NiLogical procedures for structural determination of fructooligosaccharides and raffinose family oligosaccharides.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
mi A Novel Light-Harvesting ZIF-9-TCPP as a Promising FRET-based Ratiometric Fluorescence Probe for Sperm Mobility By pubs.rsc.org Published On :: Analyst, 2024, Accepted ManuscriptDOI: 10.1039/D4AN01305K, PaperYi-Xuan Li, Yu-Xuan Dai, Ju-Zheng Wang, Jérôme Chauvin, Xueji Zhang, Serge Cosnier, Robert Marks, Dan ShanThe concentration of zinc ions in semen is significantly correlated to the sperm viability and male fertility. In this work, a reliable ratiometric fluorescence probe (ZIF-9-TCPP) based on the efficient...The content of this RSS Feed (c) The Royal Society of Chemistry Full Article
mi Electrochemically modulated surface plasmon waves for characterization and interrogation of DNA-based sensors By pubs.rsc.org Published On :: Analyst, 2024, Advance ArticleDOI: 10.1039/D4AN01164C, PaperAnil Sharma, Thomas Hulse, Aymen H. Qatamin, Monica Moreno, Klester S. Souza, Marcelo B. Pereira, Fabricio S. Campos, Leandro B. Carneiro, Antonio M. H. de Andrade, Paulo M. Roehe, Flavio Horowitz, Sergio B. MendesThis article focuses on the application of electrochemically modulated surface plasmon waves for structural characterization and for assessing signal transduction performance of redox-labeled DNA-based sensing platforms.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
mi Amidst tubers, roots in a rural set up By www.thehindubusinessline.com Published On :: Thu, 24 Jan 2013 13:03:21 +0530 Full Article A J Vinayak
mi ‘Milk is costly, cola is not’ By www.thehindubusinessline.com Published On :: Tue, 28 May 2013 18:24:04 +0530 Full Article A J Vinayak
mi To supply milk or not By www.thehindubusinessline.com Published On :: Fri, 19 Jul 2013 15:29:33 +0530 Full Article A J Vinayak
mi Densification of sodium and magnesium aluminosilicate glasses at ambient temperature: structural investigations by solid-state nuclear magnetic resonance and molecular dynamics simulations By pubs.rsc.org Published On :: Phys. Chem. Chem. Phys., 2024, 26,27348-27362DOI: 10.1039/D4CP02431A, PaperMillena Logrado, Yara Hellen Firmo Gomes, Tomiki Inoue, Shingo Nakane, Yoshinari Kato, Hiroki Yamazaki, Akihiro Yamada, Hellmut EckertSuperposition of 17O triple-quantum magic-angle spinning NMR spectra of 20MgO–20Al2O3–60SiO2 (MAS**) and 20Na2O–20Al2O3–60SiO2 (NAS**) glasses prepared at ambient pressure (AP) and pressurized and decompressed at 25 GPa at room temperature (HP(25)).The content of this RSS Feed (c) The Royal Society of Chemistry Full Article
mi Structural and sorption characteristics of an aerogel composite material loaded with flufenamic acid: insights from MAS NMR and high-pressure NOESY studies By pubs.rsc.org Published On :: Phys. Chem. Chem. Phys., 2024, 26,27301-27313DOI: 10.1039/D4CP03217A, PaperValentina V. Sobornova, Valeriya V. Mulloyarova, Konstantin V. Belov, Alexey A. Dyshin, Peter M. Tolstoy, Mikhail G. Kiselev, Ilya A. KhodovThe structural and sorption characteristics of a composite material consisting of a silica aerogel loaded with flufenamic acid were investigated using a variety of nuclear magnetic resonance techniques.The content of this RSS Feed (c) The Royal Society of Chemistry Full Article
mi A time-independent, variational method for studying the photodissociation of triatomic molecules By pubs.rsc.org Published On :: Phys. Chem. Chem. Phys., 2024, 26,27519-27529DOI: 10.1039/D4CP02771J, Paper Open Access   This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.Marco Pezzella, Georgi Mitev, Sergei N. Yurchenko, Jonathan Tennyson, Alexander O. MitrushchenkovThe photodissociation of molecules is becoming an increasingly important factor to consider in the evolution of exoplanets' atmospheres orbiting around UV-rich stars, as it leads to the enrichment of atmospheric complexity.The content of this RSS Feed (c) The Royal Society of Chemistry Full Article
mi Oxidation of fine aluminum particles: thermally induced transformations in particle shells and kinetics of oxide nucleation By pubs.rsc.org Published On :: Phys. Chem. Chem. Phys., 2024, 26,27602-27616DOI: 10.1039/D4CP03355H, PaperAndrey V. KorshunovA submicron aluminum particle during oxidation is a shrinking spherical segment due to the growth of a single γ-Al2O3 nucleus.The content of this RSS Feed (c) The Royal Society of Chemistry Full Article
mi 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
mi Electrochemical system of nitrogen-doped TiO2, Fe–N–C, and copper hexacyanoferrate electrodes for photo-assisted energy conversion in acidic wastewater treatment By pubs.rsc.org Published On :: Phys. Chem. Chem. Phys., 2024, 26,27498-27509DOI: 10.1039/D4CP02063D, PaperBianca Tainá Ferreira, Matheus Martins, Fritz HugueninThis study examines the electrochemical performance of nitrogen-doped TiO2, Fe–N–C, and CuHCF electrodes for energy conversion in acidic solution neutralization, capturing 62.9 kJ per mole of protons.The content of this RSS Feed (c) The Royal Society of Chemistry Full Article
mi 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
mi Hydrogen bond network structures of protonated 2,2,2-trifluoroethanol/ethanol mixed clusters probed by infrared spectroscopy combined with a deep-learning structure sampling approach: the origin of the linear type network preference in protonated fluoroal By pubs.rsc.org Published On :: Phys. Chem. Chem. Phys., 2024, 26,27751-27762DOI: 10.1039/D4CP03534H, PaperPo-Jen Hsu, Atsuya Mizuide, Jer-Lai Kuo, Asuka FujiiInfrared spectroscopy combined with a deep-learning structure sampling approach reveals the origin of the unusual structure preference in protonated fluorinated alcohol clusters.The content of this RSS Feed (c) The Royal Society of Chemistry Full Article
mi 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
mi Theoretical insight into photodeactivation mechanisms of adenine–uracil and adenine–thymine nucleobase pairs By pubs.rsc.org Published On :: Phys. Chem. Chem. Phys., 2024, 26,27807-27816DOI: 10.1039/D4CP02817A, Paper Open Access   This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.Kinga Szkaradek, Robert W. GóraAb initio calculations elucidate plausible intramolecular photoinduced relaxation pathways involving ring puckering and an efficient intersystem crossing in A–U and A–T base pairs, potentially hindering electron-driven proton transfer detection.The content of this RSS Feed (c) The Royal Society of Chemistry Full Article
mi Simulated conformality of atomic layer deposition in lateral channels: the impact of the Knudsen number on the saturation profile characteristics By pubs.rsc.org Published On :: Phys. Chem. Chem. Phys., 2024, Advance ArticleDOI: 10.1039/D4CP00131A, Paper Open Access   This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.Christine Gonsalves, Jorge A. Velasco, Jihong Yim, Jänis Järvilehto, Ville Vuorinen, Riikka L. PuurunenSystematic analysis of saturation profile characteristics allowed development of an extended slope method that relates the slope of the adsorption front to the sticking coefficient for any Knudsen number.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
mi Insights of the peroxychloroformyl radical ClC(O)OO via microwave spectrum By pubs.rsc.org Published On :: Phys. Chem. Chem. Phys., 2024, 26,27669-27676DOI: 10.1039/D4CP03506B, PaperChing-Hua Chang, Wen Chao, Cheng-Han Tsai, Mitchio Okumura, Frank A. F. Winiberg, Yasuki EndoPure rotational spectra of trans-ClC(O)O2 (left) and cis-ClC(O)O2 (right), and the potential energy curve connecting the two conformers. The energy diagram and the observed transitions for the trans-ClC(O)O2 are also shown.The content of this RSS Feed (c) The Royal Society of Chemistry Full Article
mi Dynamics of ionic liquids by means of nuclear magnetic resonance relaxation – overview of theoretical approaches By pubs.rsc.org Published On :: Phys. Chem. Chem. Phys., 2024, 26,27248-27259DOI: 10.1039/D4CP03183K, Review ArticleDanuta Kruk, Elzbieta Masiewicz, Roksana Markiewicz, Rajendra Kumar SinghNuclear magnetic resonance relaxometry probes the translational and rotational dynamics of ionic liquids. To take advantage of this unique experimental potential, appropriate theoretical models are needed.The content of this RSS Feed (c) The Royal Society of Chemistry Full Article
mi First-principles study on the lithiation process of amorphous SiO anode for Li-ion batteries with Bayesian optimization By pubs.rsc.org Published On :: Phys. Chem. Chem. Phys., 2024, 26,27561-27566DOI: 10.1039/D4CP02533D, PaperRyoya Shintaku, Tomoyuki Tamura, Shogo Nogami, Masayuki Karasuyama, Takakazu HiroseBayesian optimization allows theoretical investigation of the lithiation process of amorphous SiO anode materials for lithium (Li) ion batteries (LIBs).The content of this RSS Feed (c) The Royal Society of Chemistry Full Article
mi Mixed quantum/classical theory for rotationally inelastic scattering of identical collision partners revised By pubs.rsc.org Published On :: Phys. Chem. Chem. Phys., 2024, 26,27567-27582DOI: 10.1039/D4CP02806F, PaperD. Bostan, B. Mandal, D. BabikovWhen the tested system is artificially forced to follow the same collision path in indistinguishable and distinguishable treatments, all the differences between the results of the two treatments disappear.The content of this RSS Feed (c) The Royal Society of Chemistry Full Article
mi 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