as A gold nanomaterial-integrated distance-based analytical device for uric acid quantification in human urine samples By pubs.rsc.org Published On :: Analyst, 2024, 149,5518-5526DOI: 10.1039/D4AN01139B, PaperTapparath Leelasattarathkul, Thithawat Trakoolwilaiwan, Kawin KhachornsakkulA simple and low-cost distance-based paper analytical device (dPAD) was combined with gold nanomaterials for uric acid quantification.The content of this RSS Feed (c) The Royal Society of Chemistry Full Article
as Liquid saliva-based Raman spectroscopy device with on-board machine learning detects COVID-19 infection in real-time By pubs.rsc.org Published On :: Analyst, 2024, 149,5535-5545DOI: 10.1039/D4AN00729H, Paper Open Access   This article is licensed under a Creative Commons Attribution-NonCommercial 3.0 Unported Licence.Katherine J. I. Ember, Nassim Ksantini, Frédérick Dallaire, Guillaume Sheehy, Trang Tran, Mathieu Dehaes, Madeleine Durand, Dominique Trudel, Frédéric LeblondRaman spectroscopy and machine learning is used in combination to detect COVID-19 positive saliva in liquid form.The content of this RSS Feed (c) The Royal Society of Chemistry Full Article
as 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
as An improved cancer diagnosis algorithm for protein mass spectrometry based on PCA and a one-dimensional neural network combining ResNet and SENet By pubs.rsc.org Published On :: Analyst, 2024, Advance ArticleDOI: 10.1039/D4AN00784K, PaperLiang Ma, Wenqing Gao, Xiangyang Hu, Dongdong Zhou, Chenlu Wang, Jiancheng Yu, Keqi TangAn improved cancer diagnosis algorithm for protein mass spectrometry based on PCA and 1D neural network combining ResNet and SENet is proposed and successfully applied to the diagnosis of ovarian cancer with high accuracy and strong fitting ability.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
as 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
as Molecularly imprinted polymer sensors for biomarker detection in cardiovascular diseases By pubs.rsc.org Published On :: Analyst, 2024, Advance ArticleDOI: 10.1039/D4AN01103A, Critical ReviewWenteng Tang, Junlei Han, Wenhong Zhang, Huimin Li, Jun Chen, Wei Song, Li WangMolecularly imprinted polymer sensors, combined with electrochemical, optical, thermal, and acoustic detection technologies, detect biomarkers for key cardiovascular diseases: coronary artery disease, acute myocardial infarction, and heart failure.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
as Exploring gunshot residue detection in fingerprints by functionalized particle-coupled matrix-assisted laser desorption/ionization mass spectrometry By pubs.rsc.org Published On :: Analyst, 2024, Advance ArticleDOI: 10.1039/D4AN01260G, PaperSunil S. Adav, Yan Wen Crystal Tan, Choon Teck Low, Song Wei Loo, Ridhwan Yusoff, Archana Gautam, Yuk Lin Yong, Chiew Yung Yang, Chin Chin Lim, Kee Woei NgIn firearm forensic investigations, detecting gunshot residue (GSR) is crucial for linking firearms to suspects and determining firing distance for forensic reconstruction.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
as 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
as 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
as 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
as Rapid lung ventilation MRI using parahydrogen-induced polarization of propane gas By pubs.rsc.org Published On :: Analyst, 2024, Advance ArticleDOI: 10.1039/D4AN01029A, Paper Open Access   This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.Md Raduanul H. Chowdhury, Clementinah Oladun, Nuwandi M. Ariyasingha, Anna Samoilenko, Tarek Bawardi, Dudari B. Burueva, Oleg G. Salnikov, Larisa M. Kovtunova, Valerii I. Bukhtiyarov, Zhongjie Shi, Kehuan Luo, Sidhartha Tan, Juri G. Gelovani, Igor V. Koptyug, Boyd M. Goodson, Eduard Y. ChekmenevThe feasibility of ultrafast (1.7 s) ventilation MRI with a 1 × 1 × 50 mm3 voxel size is demonstrated using hyperpolarized propane gas contrast agent in excised rabbit lungs on a 0.35 T clinical MRI scanner without any scanner modification.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
as Towards high-resolution water isotope analysis in ice cores using laser ablation – cavity ring-down spectroscopy By pubs.rsc.org Published On :: Analyst, 2024, Advance ArticleDOI: 10.1039/D4AN01054J, Paper Open Access   This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.Eirini Malegiannaki, Pascal Bohleber, Daniele Zannoni, Ciprian Stremtan, Agnese Petteni, Barbara Stenni, Carlo Barbante, Bo M. Vinther, Vasileios GkinisA new micro-destructive technique for high-resolution water isotope analysis of ice samples using a Laser Ablation (LA) system coupled with a Cavity Ring Down Spectrometer (CRDS) is presented.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
as Enter LPG, exit gobar gas By www.thehindubusinessline.com Published On :: Sat, 09 Mar 2013 13:11:28 +0530 Full Article A J Vinayak
as In silico validation of allosteric inhibitors targeting Zika virus NS2B–NS3 protease By pubs.rsc.org Published On :: Phys. Chem. Chem. Phys., 2024, 26,27684-27693DOI: 10.1039/D4CP02867H, PaperYeng-Tseng Wang, Yuan-Chin Hsieh, Tin-Yu WuThe Zika virus (ZIKV), a member of the Flaviviridae family, poses a major threat to human health because of the lack of effective antiviral drugs.The content of this RSS Feed (c) The Royal Society of Chemistry Full Article
as Magneto-optical properties of heavily Fe-doped GaAs: a density functional approach By pubs.rsc.org Published On :: Phys. Chem. Chem. Phys., 2024, 26,27510-27518DOI: 10.1039/D4CP03101F, PaperJ. Zarpellon, D. H. Mosca, J. VaraldaHeavily Fe-doped GaAs, investigated using a DFT approach, reveals a spin polarized electronic band structure correlated with magnetic circular dichroism and complex Kerr and Faraday rotation angles in agreement with some previous experiments.The content of this RSS Feed (c) The Royal Society of Chemistry Full Article
as 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
as 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
as 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
as 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
as 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
as 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
as Hydrogen tunneling with an atypically small KIE measured in the mediated decomposition of the Co(CH3COOH)+ complex By pubs.rsc.org Published On :: Phys. Chem. Chem. Phys., 2024, 26,27741-27750DOI: 10.1039/D4CP02722A, Paper Open Access   This article is licensed under a Creative Commons Attribution-NonCommercial 3.0 Unported Licence.Simon U. Okafor, Gabriele Pinto, Michael Brdecka, William Smith, Tucker W. R. Lewis, Michael Gutierrez, Darrin J. BellertRate-limiting hydrogen/deuterium tunneling rate constants are measured in the photon initiated decay of Co(CH3COOH)+ with small KIE values.The content of this RSS Feed (c) The Royal Society of Chemistry Full Article
as 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
as Structural insights into carboxylic-acid based DES across H-bond donor ratios: impact of CL&Pol refinement By pubs.rsc.org Published On :: Phys. Chem. Chem. Phys., 2024, 26,27486-27497DOI: 10.1039/D4CP03233K, PaperJon Zubeltzu, Elixabete RezabalImproved force field parameters refine H-bond network and long-range structure in carboxylic-acid-based deep eutectic solvents.The content of this RSS Feed (c) The Royal Society of Chemistry Full Article
as 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
as 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
as 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
as Effects of oxidizer concentration and abrasive type on interfacial bonding and material removal in 4H-SiC polishing processes By pubs.rsc.org Published On :: Phys. Chem. Chem. Phys., 2024, 26,27791-27806DOI: 10.1039/D4CP03544E, PaperYuqi Zhou, Kezhong Xu, Yuhan Gao, Ziniu Yu, Fulong ZhuTwo different modes of material removal are defined based on the difference in the mode of atom removal, i.e., mechanical removal and removal associated with interfacial bonding.The content of this RSS Feed (c) The Royal Society of Chemistry Full Article
as Optimization of preparation conditions and design of device configurations for Cu3AsS4 solar cells: a combined study of first-principles calculations and SCAPS-1D device simulations By pubs.rsc.org Published On :: Phys. Chem. Chem. Phys., 2024, Accepted ManuscriptDOI: 10.1039/D4CP03392B, PaperYi Huang, Changqing Lin, Yang Xue, Bingyuan Huang, Dan HuangFormer studies have investigated the band structure and optoelectronic properties of Cu3AsS4 and suggested that it is a promising photovoltaic (PV) absorber. However, its power conversion efficiency (PCE) from experiments...The content of this RSS Feed (c) The Royal Society of Chemistry Full Article
as 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
as 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
as Unveiling distinct bonding patterns in noble gas hydrides via interference energy analysis By pubs.rsc.org Published On :: Phys. Chem. Chem. Phys., 2024, Advance ArticleDOI: 10.1039/D4CP04028G, Paper Open Access   This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.Lucas Araujo, Marco A. C. Nascimento, Thiago M. Cardozo, Felipe FantuzziSCGVB calculations show that in noble gas hydride ions NgH+ (Ng = He–Ar), energy well formation is driven by quantum interference. At equilibrium bond lengths, HeH+ and ArH+ exhibit covalent Ng+–H bonds, while NeH+ possesses a dative Ne → H+ bond.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
as Synthesis and modification of boron nitride nanomaterials for gas sensors: from theory to application By pubs.rsc.org Published On :: Phys. Chem. Chem. Phys., 2024, Advance ArticleDOI: 10.1039/D4CP02137A, Review ArticleYan Zhang, Yan Wang, Cong Qin, Jianliang CaoThe synthesis and modification of BN based nanomaterials for gas sensors is summarized from theory to application.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
as Insight into the potential of M–NbS2 (M = Pd, Ti and V) monolayers as anode materials for alkali ion (Li/Na/K) batteries By pubs.rsc.org Published On :: Phys. Chem. Chem. Phys., 2024, Advance ArticleDOI: 10.1039/D4CP03744H, PaperMeixia Xiao, Shuling Xu, Haiyang Song, Zhifei Sun, Jiaying Bi, Beibei XiaoFirst-principles calculations were conducted to explore the effects of Pd, Ti and V doping on the performance of NbS2 monolayers as electrode materials for alkali ion batteries.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
as 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
as Investigation on the combustion mechanism for NF3/H2 in DF/HF chemical lasers: a new perspective based on deep potential molecular dynamics simulations By pubs.rsc.org Published On :: Phys. Chem. Chem. Phys., 2024, Advance ArticleDOI: 10.1039/D4CP03014A, PaperYinhua Ma, Dongmei Mu, Meiheng Lv, Nan Wang, Huaxin Liu, Fangjian Shang, Jianyong LiuCombustion-driven deuterium fluoride/hydrogen fluoride (DF/HF) lasers are a crucial type of chemical lasers.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
as Crystallographic models of ribbons and ribbon-based J-aggregate nanotubes from the geometry of tube ends By pubs.rsc.org Published On :: Phys. Chem. Chem. Phys., 2024, Advance ArticleDOI: 10.1039/D4CP03559C, PaperValery V. Prokhorov, Kirill A. Prusakov, Sergey I. Pozin, Olga M. Perelygina, Eugene I. Mal’tsev, Alexander A. NekrasovWe propose the procedure of establishing the crystal structure of ribbons and ribbon-based tubes on the basis of crystallographic analysis of the tube-end geometry.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
as Ballistic transport in sub-10 nm monolayer InAs transistors for high-performance applications By pubs.rsc.org Published On :: Phys. Chem. Chem. Phys., 2024, Advance ArticleDOI: 10.1039/D4CP03789H, PaperTianruo Xie, Yuliang MaoThe modelling of double gate MOSFETs of monolayer InAsH2 is shown in (a). The corresponding transfer characteristics are shown for (b) n-type and (c) p-type, in which various doping concentrations are chosen.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
as Intermolecular Hydrogen Bonding Delineates Stability of Non-canonical Adenine Base Pairs: A First-Principles Study By pubs.rsc.org Published On :: Phys. Chem. Chem. Phys., 2024, Accepted ManuscriptDOI: 10.1039/D4CP02875A, PaperNicholas Adu-Effah, Nabanita SaikiaNon-canonical nucleobase pairs differ from canonical Watson-Crick (WC) pairs in their hydrogen bonding patterns. This study uses density functional theory with empirical dispersion correction to examine the stability and electronic...The content of this RSS Feed (c) The Royal Society of Chemistry Full Article
as Rationalizing polymorphism with local correlation-based methods: a case study of pnictogen molecular crystals By pubs.rsc.org Published On :: Phys. Chem. Chem. Phys., 2024, Advance ArticleDOI: 10.1039/D4CP03697B, Paper Open Access   This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.Ahmet Altun, Eduardo Schiavo, Michael Mehring, Stephan Schulz, Giovanni Bistoni, Alexander A. AuerCombined Hartree–Fock plus London Dispersion (HFLD) and fragment-pairwise Local Energy Decomposition (fp-LED) enables computation of lattice energies, their breakdown into pairwise terms, and assessment of relative stability sources in polymorphs.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
as Deciphering the spectroscopic and thermodynamic aspects of binding of biologically important antioxidants with the alkali induced state of human serum albumin By pubs.rsc.org Published On :: Phys. Chem. Chem. Phys., 2024, Advance ArticleDOI: 10.1039/D4CP03636K, PaperAnjali Maheshwari, Nand KishoreProtein–ligand interactions are crucial for developing and identifying novel therapeutic targets.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
as Correlating Negative Thermal Expansion and Thermal Conductivity in Two-dimensional Carbon-based Materials By pubs.rsc.org Published On :: Phys. Chem. Chem. Phys., 2024, Accepted ManuscriptDOI: 10.1039/D4CP03776F, PaperSoumya Mondal, Ayan DattaNegative thermal expansion (NTE) is a fascinating phenomenon where certain materials contract upon heating. The phonon transport properties of two-dimensional carbon-based allotropes are poorly understood in terms of their NTE...The content of this RSS Feed (c) The Royal Society of Chemistry Full Article
as Magnetic field enhanced discharge and water activation of atmospheric pressure plasma jet: effect of assistance region and underlying physico-chemical mechanism By pubs.rsc.org Published On :: Phys. Chem. Chem. Phys., 2024, Accepted ManuscriptDOI: 10.1039/D4CP03938F, PaperXiongfeng Zhou, Bin Chen, Hua Liao, Kun LiuMagnetic field-assistance holds the promise of becoming a new or complementary approach to enhance the efficiency of atmospheric pressure plasma jet (APPJ), but there is currently a lack of research...The content of this RSS Feed (c) The Royal Society of Chemistry Full Article
as Uniaxial Tensile Strain Impact on 1T-NbS2 Monolayers as Cathode Material for Lithium-Sulfur Batteries By pubs.rsc.org Published On :: Phys. Chem. Chem. Phys., 2024, Accepted ManuscriptDOI: 10.1039/D4CP03156C, PaperShanling Ren, Xiaocong Tan, Xin Huang, zhihong yang, Yunhui WangIn this work, we report our study on asymmetrical Janus TiSSe monolayers as cathode materials for lithium-sulfur batteries by first-principles calculations, encompassing adsorption, catalytic, and conductive properties. The results indicate...The content of this RSS Feed (c) The Royal Society of Chemistry Full Article
as A walk down the queer side of Varanasi | Debashish Paul’s first solo exhibition By www.thehindu.com Published On :: Fri, 18 Oct 2024 15:22:48 +0530 The artist explores his identity, and highlights self-doubt, desire and societal dissonance through performance images, sketches and sculptures Full Article Society
as How climate change has helped vineyards in Britain thrive By www.thehindu.com Published On :: Fri, 18 Oct 2024 16:07:43 +0530 Discover the rise of English wines, from picturesque vineyards to award-winning bottles, amidst a changing climate and growing acclaim Full Article Life & Style
as Disney’s new cruise set to sail in Singapore has Marvel and Pixar worlds onboard By www.thehindu.com Published On :: Fri, 18 Oct 2024 16:39:32 +0530 Disney Cruise Line’s first ship in Southeast Asia, Disney Adventure, will sail in Singapore from December 2025. Bookings for the same will be open from December 10, 2024 Full Article Life & Style
as For Cyrus Broacha, choosing a therapist is same as choosing a shampoo By www.thehindu.com Published On :: Fri, 18 Oct 2024 17:02:40 +0530 He goes for the cheapest and closest one Full Article Life & Style
as Riyadh Season 2024: As part of cultural diplomacy, Saudi Arabia celebrates Indian diversity in mega tourism event By www.thehindu.com Published On :: Mon, 21 Oct 2024 21:01:33 +0530 The Indian diaspora in Saudi Arabia has grown over the years and with 2.4 million expat workers it has the second largest number of foreign workers in Saudi Arabia Full Article Life & Style
as Hyderabad’s physician-musician Dr Bunty has composed for 100 Telugu serials By www.thehindu.com Published On :: Wed, 23 Oct 2024 14:50:47 +0530 As a new serial Abhinandana airs on Gemini, Dr Bunty talks about navigating dual vocations Full Article Entertainment