pe Advancing cerumen analysis: exploring innovative vibrational spectroscopy techniques with respect to their potential as new point-of-care diagnostic tools By pubs.rsc.org Published On :: Analyst, 2024, 149,5381-5393DOI: 10.1039/D4AN00868E, Paper Open Access   This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.Edoardo Farnesi, Matteo Calvarese, Chen Liu, Carl Messerschmidt, MohammadSadegh Vafaeinezhad, Tobias Meyer-Zedler, Dana Cialla-May, Christoph Krafft, Jonas Ballmaier, Orlando Guntinas-Lichius, Michael Schmitt, Jürgen PoppThe study demonstrates the potential of advanced vibrational spectroscopy to reveal the complex molecular composition of cerumen, suggesting its promising application as a non-invasive diagnostic tool for identifying disease-related biomarkers.The content of this RSS Feed (c) The Royal Society of Chemistry Full Article
pe Differentiation of oligosaccharide isomers by direct infusion multidimensional mass spectrometry By pubs.rsc.org Published On :: Analyst, 2024, 149,5504-5517DOI: 10.1039/D4AN01142B, Paper Open Access   This article is licensed under a Creative Commons Attribution-NonCommercial 3.0 Unported Licence.Enoch Amoah, Taghi Sahraeian, Ayesha Seth, Abraham K. Badu-TawiahHalide adduction enables the generation of diagnostic fragments ions for oligosaccharide isomers enabling multi-dimensional mass spectrometry analysis without prior separation.The content of this RSS Feed (c) The Royal Society of Chemistry Full Article
pe 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
pe Material-agnostic characterization of spatially offset Raman spectroscopy in turbid media via Monte Carlo simulations By pubs.rsc.org Published On :: Analyst, 2024, 149,5463-5475DOI: 10.1039/D4AN01044B, PaperZuriel Erikson Joven, Piyush Raj, Ishan BarmanMonte Carlo simulations of spatially offset Raman spectroscopy (SORS) produce widely-applicable, quantitative frameworks for optimizing and interpreting SORS experiments.The content of this RSS Feed (c) The Royal Society of Chemistry Full Article
pe Probing the role of ligation and exonuclease digestion towards non-specific amplification in bioanalytical RCA assays By pubs.rsc.org Published On :: Analyst, 2024, 149,5491-5503DOI: 10.1039/D4AN00866A, PaperVandana Kuttappan Nair, Chandrika Sharma, Shrawan Kumar, Mrittika Sengupta, Souradyuti GhoshComprehensive quantitative analysis of various ligation and digestion conditions to identify and minimize non-specific amplification in RCA bioanalytical methods.The content of this RSS Feed (c) The Royal Society of Chemistry Full Article
pe 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
pe 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
pe 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
pe 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
pe 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
pe Impact of blue light on cutaneous barrier structures and properties: NPLC/HR-MSn and Raman analyses By pubs.rsc.org Published On :: Analyst, 2024, Advance ArticleDOI: 10.1039/D4AN01244E, PaperLéa Habib, Rime Michael-Jubeli, Marie Abboud, Roger Lteif, Ali TfayliBlue light alters lipids and proteins in the reconstructed human epidermis.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
pe 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
pe 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
pe 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
pe 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
pe ‘Ad’ in cricket property By www.thehindubusinessline.com Published On :: Fri, 05 Apr 2013 12:09:07 +0530 Full Article A J Vinayak
pe Pensioners’ hope for better service By www.thehindubusinessline.com Published On :: Fri, 19 Apr 2013 10:54:10 +0530 'This is not the age for us to eat chocolates' Full Article A J Vinayak
pe Spintronic performance of bent zigzag phosphorene nanoribbons: effects of mechanical deformation and gate voltage By pubs.rsc.org Published On :: Phys. Chem. Chem. Phys., 2024, 26,27363-27370DOI: 10.1039/D4CP03470H, PaperRouhollah FarghadanThis study explores how bending and gate voltage tune the spintronic properties of zigzag phosphorene nanoribbons (ZPNRs) for advanced applications.The content of this RSS Feed (c) The Royal Society of Chemistry Full Article
pe 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
pe 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
pe 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
pe An in-depth investigation of lead-free KGeCl3 perovskite solar cells employing optoelectronic, thermomechanical, and photovoltaic properties: DFT and SCAPS-1D frameworks By pubs.rsc.org Published On :: Phys. Chem. Chem. Phys., 2024, 26,27704-27734DOI: 10.1039/D4CP02974G, PaperMd. Tarekuzzaman, Mohammad Hasin Ishraq, Md. Shahazan Parves, M. A. Rayhan, Sohail Ahmad, Md. Rasheduzzaman, K A Al Mamun, M. Moazzam Hossen, Md. Zahid HasanCrystal structure of KGeCl3 and the design configuration of the KGeCl3-based PSC.The content of this RSS Feed (c) The Royal Society of Chemistry Full Article
pe Hole-states in Li doped NiO: doping dependence of Zhang-Rice spectral weight By pubs.rsc.org Published On :: Phys. Chem. Chem. Phys., 2024, 26,27735-27740DOI: 10.1039/D4CP03373F, PaperSuman Mandal, Krishnakumar S. R. MenonThe structural and spectroscopic evolution of Li-doped NiO, along with the behavior of doped hole states, are investigated using XRD and XAS.The content of this RSS Feed (c) The Royal Society of Chemistry Full Article
pe 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
pe 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
pe 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
pe 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
pe Impact of valley degeneracy on the thermoelectric properties of zig-zag graphene nanoribbons with staggered sublattice potentials and transverse electric fields By pubs.rsc.org Published On :: Phys. Chem. Chem. Phys., 2024, 26,27591-27601DOI: 10.1039/D4CP03178D, PaperDavid M. T. KuoThis study investigates the band inversion of flat bands in zig-zag graphene nanoribbons (ZGNRs) using a tight-binding model.The content of this RSS Feed (c) The Royal Society of Chemistry Full Article
pe On the peculiar EPR spectra of P1 centers at high (12–20 T) magnetic fields By pubs.rsc.org Published On :: Phys. Chem. Chem. Phys., 2024, 26,27633-27647DOI: 10.1039/D4CP03055A, Paper Open Access   This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.Orit Nir-Arad, Eyal Laster, Mais Daksi, Nurit Manukovsky, Ilia KaminkerState mixing at a high magnetic field in the well-studied nitrogen substitutions in diamonds leads to unique electron spin spectral properties.The content of this RSS Feed (c) The Royal Society of Chemistry Full Article
pe 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
pe 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
pe Performance of functionalized graphene oxide with organic radical scavengers in proton exchange membranes By pubs.rsc.org Published On :: Phys. Chem. Chem. Phys., 2024, 26,27817-27828DOI: 10.1039/D4CP03151B, PaperYu Hu, Jiaxing Wang, Shuai Wang, Yuan FengA diazonium salt reaction is used to prepare benzoic acid-functionalized graphene oxide as a bi-functional filler for a Nafion membrane, and the corresponding composite membrane has improved chemical durability and proton conductivity.The content of this RSS Feed (c) The Royal Society of Chemistry Full Article
pe Exploring the valleytronic, optical, and piezoelectric properties of Janus MoBXY2 (X = N, P; Y = S, Se, Te) monolayers for multifunctional applications By pubs.rsc.org Published On :: Phys. Chem. Chem. Phys., 2024, Advance ArticleDOI: 10.1039/D4CP03793F, PaperLuogang Xie, Lingli Wang, YanDong Ma, Hongyan Lu, Yang YangUnveiling novel Janus MoBXY2 monolayers with unique valleytronic, optical, and piezoelectric properties for multifunctional 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
pe 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
pe Molten salt synthesized Tb3+, Pr3+ or Dy3+ single doped CaTa4O11 with persistent luminescence By pubs.rsc.org Published On :: Phys. Chem. Chem. Phys., 2024, Accepted ManuscriptDOI: 10.1039/D4CP03989K, PaperYuhan Fan, Yongze Cao, Meiling Li, Sai Xu, Yichao Wang, Xizhen Zhang, Jinsu Zhang, B. J. ChenA series of Tb3+, Pr3+ and Dy3+ monodoped CaTa4O11(CTO) persistent luminescence (PersL) phosphors have been successfully synthesized by molten salt method with KCl flux. The PersL color is green and...The content of this RSS Feed (c) The Royal Society of Chemistry Full Article
pe 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
pe 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
pe 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
pe 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
pe 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
pe Mechanistic Insights into CO2 Activation on Pristine, Vacancy-containing and Doped Goldene: A Single-Atom Layer of Gold By pubs.rsc.org Published On :: Phys. Chem. Chem. Phys., 2024, Accepted ManuscriptDOI: 10.1039/D4CP03087G, PaperKamal Kumar, Nora Henriette De Leeuw, Jost Adam, Abhishek Kumar MishraGoldene, a one-atom-thick gold sheet, is an emerging graphene-like flat 2-dimensional material. In this study, the geometrical and electronic properties, as well as CO2 adsorption characteristics, of the pristine,...The content of this RSS Feed (c) The Royal Society of Chemistry Full Article
pe First-principles study on stability, electronic and optical properties of 2D SbXY (X=Se/Te, Y=I/Br)Janus layers By pubs.rsc.org Published On :: Phys. Chem. Chem. Phys., 2024, Accepted ManuscriptDOI: 10.1039/D4CP04077E, PaperAnjana E Sudheer , Amrendra Kumar, Tejaswini G, Muthu Vallinayagam, Matthias Posselt, Matthias Zschornak, Chinnathambi Kamal, D. MuraliMotivated by the exceptional optoelectronic properties of 2D Janus layers (JLs), we explore the properties of group Va antimony-based JLs SbXY (X=Se/Te, Y=I/Br). From the Bader charges, the elec-tric dipole...The content of this RSS Feed (c) The Royal Society of Chemistry Full Article
pe Prediction of high-temperature superconductors at ambient pressure with diamond-like structures: B2CX (X = N, P) By pubs.rsc.org Published On :: Phys. Chem. Chem. Phys., 2024, Advance ArticleDOI: 10.1039/D4CP03755C, PaperYi Wan, Ying-Jie Chen, Shu-Xiang Qiao, Kai-Yue Jiang, Guo-Hua Liu, Na Jiao, Ping Zhang, Hong-Yan LuWe predict B2CX (X = N, P) are standard phonon-mediated superconductors with Tc = 44.3–46.1 K, higher than most diamond-like superconductors. Coupling between metallic σ electrons and softened E phonons contributes greatly to their superconductivity.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
pe 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
pe 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
pe Theoretical Insights into the Vibrational Spectra and Chemical Bonding of Ln(III) Complexes with a Tripodal N4O3 Ligand Along the Lanthanide Series By pubs.rsc.org Published On :: Phys. Chem. Chem. Phys., 2024, Accepted ManuscriptDOI: 10.1039/D4CP03677H, PaperFrancielle C Machado, Mateus M Quintano, Carlos Vital dos Santos Junior, Albano Carneiro Neto, Elfi Kraka, Ricardo Luiz Longo, Renaldo Tenorio Moura Jr.{This study provides new theoretical insights into the vibrational spectra of Ln(III) complexes, along the lanthanide series by utilizing the LModeAGen protocol and integrating cutting-edge topological ideas. It provides a...The content of this RSS Feed (c) The Royal Society of Chemistry Full Article
pe Structural Distortion Driven Polaronic Transport and Table-like Magnetocaloric Properties in Polycrystalline Tb0.7Sr0.3MnO3 compound By pubs.rsc.org Published On :: Phys. Chem. Chem. Phys., 2024, Accepted ManuscriptDOI: 10.1039/D4CP03760J, PaperDipak Mazumdar, I. Das, Kalipada DasThis research mainly explores the structural, magnetic, magneto-transport, and magnetocaloric properties of the polycrystalline Tb0.7Sr0.3MnO3 compound. The results reveal a significant modification of the compound’s ground state with increasing the...The content of this RSS Feed (c) The Royal Society of Chemistry Full Article
pe Translational diffusion, molecular brightness, and energy transfer analysis of mEGFP-linker-mScarlet–I crowding biosensor using fluorescence correlation spectroscopy By pubs.rsc.org Published On :: Phys. Chem. Chem. Phys., 2024, Advance ArticleDOI: 10.1039/D4CP03850A, PaperSarah A. Mersch, Clint McCue, Alexandros Aristidou, Erin D. Sheets, Arnold J. Boersma, Ahmed A. HeikalFluorescence correlation spectroscopy (FCS) is used for molecular brightness, Förster resonance energy transfer (FRET), protein–protein interactions, diffusion, and size analysis of mEGFP-linker-mScarlet–I constructs in crowded 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
pe Investigating Ni nanoparticles on CeO2 for methane dissociation: a comparative study of theoretical calculations and experimental insights By pubs.rsc.org Published On :: Phys. Chem. Chem. Phys., 2024, Advance ArticleDOI: 10.1039/D4CP01324G, PaperTakaya Fujisaki, Yuta Tsuji, Phuc Hoan Tu, Tin Chanh Duc Doan, David S. Rivera Rocabado, Aleksandar Tsekov Staykov, Keiji Yashiro, Yusuke ShiratoriCeO2 supported with Ni nanoparticles has emerged as a promising catalyst for enhancing the efficiency of dry reforming of methane (DRM) 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
pe 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