lec Piezoelectric materials for anti-infective bioapplications By pubs.rsc.org Published On :: J. Mater. Chem. B, 2024, 12,11063-11075DOI: 10.1039/D4TB01589D, Review ArticleChen Chen, Xin Yang, Yi Liu, Jia Jia, Yiping Li, Xiaohan Dai, Ousheng LiuThis review summarizes recent advances in piezoelectric materials for anti-infective and regenerative therapies. It highlights antibacterial mechanisms and discusses their anti-infective bioapplications.The content of this RSS Feed (c) The Royal Society of Chemistry Full Article
lec 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
lec Breakthrough in cancer therapy: lutetium texaphyrin–celecoxib conjugate for immune and photodynamic treatment By pubs.rsc.org Published On :: J. Mater. Chem. B, 2024, Advance ArticleDOI: 10.1039/D4TB02019G, Highlight Open Access   This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.Qihang Ding, Yue Wang, Pengfei Zhang, Ling MeiKim et al. present a small-molecule photosensitizer, LuCXB, which combines a COX-2 inhibitor (celecoxib) with a near-infrared lutetium texaphyrin photocatalyst and was loaded CD133-aptamer functionalized exosome for cancer stem cells targeting.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
lec An innovative electrohydrodynamics-driven SERS platform for molecular stratification and treatment monitoring of lung cancer By pubs.rsc.org Published On :: J. Mater. Chem. B, 2024, Advance ArticleDOI: 10.1039/D4TB01434K, HighlightTuotuo Zhang, Biao Dong, Huiling Wang, Shuai ZhangA schematic electrohydrodynamics-driven SERS platform to profile four proteins on sEVs to generate a unique molecular signature for lung cancer stratification.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
lec Effect of supramolecular peptide hydrogel scaffold charge on HepG2 viability and spheroid formation By pubs.rsc.org Published On :: J. Mater. Chem. B, 2024, Advance ArticleDOI: 10.1039/D4TB01701C, Paper Open Access   This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.Yu Xin, Cosimo Ligorio, Marie O’brien, Richard Collins, Siyuan Dong, Aline F. Miller, Alberto Saiani, Julie E. GoughUnderstanding how fibre charge in self-assembling peptide hydrogel networks affect HepG2 cell fate and spheroid formation.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
lec Nanomaterials and methods for cancer therapy: 2D materials, biomolecules, and molecular dynamics simulations By pubs.rsc.org Published On :: J. Mater. Chem. B, 2024, Advance ArticleDOI: 10.1039/D4TB01667J, Review ArticleWelela M. Kedir, Lunna Li, Yaw Sing Tan, Natasa Bajalovic, Desmond K. LokeNanomaterials made from 2D semiconductors and biomolecules are reviewed. Cell-nanoparticle interactions are examined in recent simulations. These nanomaterials and MD simulations reveal novel mechanisms and enable cancer drug delivery and targeting.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
lec Unravelling the molecular mechanobiology by DNA-Based fluorogenic tension sensor By pubs.rsc.org Published On :: J. Mater. Chem. B, 2024, Accepted ManuscriptDOI: 10.1039/D4TB01858C, Review ArticleKaushik PalInvestigation of the biological system reveals many underlying principles that govern the regular life processes. Recently, the analysis of tiny mechanical forces associated with many biological processes revels their significance...The content of this RSS Feed (c) The Royal Society of Chemistry Full Article
lec Extracellular matrix mimetic supramolecular hydrogels reinforced with covalent crosslinked mesoporous silica nanoparticles By pubs.rsc.org Published On :: J. Mater. Chem. B, 2024, Advance ArticleDOI: 10.1039/D4TB00499J, Paper Open Access   This article is licensed under a Creative Commons Attribution-NonCommercial 3.0 Unported Licence.Aygül Zengin, Shahzad Hafeez, Pamela Habibovic, Matthew Baker, Sabine van RijtHere we present a promising strategy to create hybrid, biomimetic supramolecular injectable hydrogels reinforced covalent crosslinked mesoporous silica nanoparticles for tissue engineering 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
lec Quantum DFT analysis and molecular docking investigation of various potential breast cancer drugs By pubs.rsc.org Published On :: J. Mater. Chem. B, 2024, Accepted ManuscriptDOI: 10.1039/D4TB01803F, PaperAshraf Ayub, Ankit Raj Tyagi, Sunil Kumar Srivastava, Pranveer SinghBreast cancer is the most often diagnosed and deadliest type of cancer in the world. These days, the world is facing the threat of breast cancer. It is essential to...The content of this RSS Feed (c) The Royal Society of Chemistry Full Article
lec Recent Advances in Polymer-based Thin-film Electrode for ECoG Applications By pubs.rsc.org Published On :: J. Mater. Chem. B, 2024, Accepted ManuscriptDOI: 10.1039/D4TB02090A, Review Article Open Access   This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.Zhengchen Xiang, Liangtao Yang, Bin Yu, Qi Zeng, Tao Huang, Shuo Shi, Hao Yu, Yi Zhang, Jinglong Wu, Meifang ZhuElectrocorticography (ECoG) has garnered widespread attention due to its superior signal resolution compared to conventional electroencephalogram (EEG). While ECoG signal acquisition entails invasiveness, the invasive rigid electrode inevitably inflicts damage...The content of this RSS Feed (c) The Royal Society of Chemistry Full Article
lec Sonakshi: 'Sexual harassment at work is neglected' By www.rediff.com Published On :: Wed, 15 Mar 2017 17:16:33 +0530 'Women are ashamed of the repercussions that will come when they speak about it.''Women also feel they will be blamed for whatever has happened to them.''Unless women support each other and stand by each other, that will not change.' Sonakshi Sinha speaks out. Full Article Sonakshi Sinha Nach Baliye Deepika Padukone Mohit Suri Shiamak Davar Varun Dhawan Alia Bhatt Madhuri Dixit Arunabh Kumar Terrance Lewis Terence Lewis Shahid Kapoor Ranveer Singh Bollywood
lec Jennifer Lopez-Ben Affleck Get MARRIED! By www.rediff.com Published On :: Mon, 18 Jul 2022 10:22:00 +0530 The couple got a marriage license in Clark County, Nevada, which was processed on Saturday, July 16. Full Article
lec Fluorescent probe to quantify lipid-derived electrophiles in edible oils By pubs.rsc.org Published On :: Analyst, 2024, 149,5255-5264DOI: 10.1039/D4AN00780H, PaperLucille Kuster, Priscilia Diane Mamboundou, Asma Boushih, Yasmine Rassi, Alexandre Benoît, Samuel Parent-Vézina, Michel Lord-St-Vincent, Jean-Philippe Guillemette, Mathieu FrenetteEdible oils oxidize in air to form a variety of α,β-unsaturated carbonyl containing products collectively called ‘lipid-derived electrophiles’. A commercially available “turn-on” fluorescent probe 7-mercapto-4-methylcoumarin is used to quantify ‘electrophilic content’ in oil-containing foods.The content of this RSS Feed (c) The Royal Society of Chemistry Full Article
lec 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
lec 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
lec 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
lec A sulphide resistant Ag|AgCl reference electrode for long-term monitoring By pubs.rsc.org Published On :: Analyst, 2024, 149,5225-5231DOI: 10.1039/D4AN01076K, Paper Open Access   This article is licensed under a Creative Commons Attribution-NonCommercial 3.0 Unported Licence.David S. Macedo, Mikko Vepsäläinen, Theo Rodopoulos, Stephen Peacock, Conor F. HoganSolid state reference electrodes (SSREs) with suspended AgCl are resistant to sulphide poisoning. Sulphide species are precipitated as Ag2S, inhibiting their diffusion through the polymer composite.The content of this RSS Feed (c) The Royal Society of Chemistry Full Article
lec 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
lec 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
lec Ti-based MOF nanosheets as a mass spectrometry imaging matrix for low molecular weight compounds to reveal the spatiotemporal content changes of hepatotoxic components during the processing of Polygonum multiflorum By pubs.rsc.org Published On :: Analyst, 2024, Advance ArticleDOI: 10.1039/D4AN00964A, PaperFeng-yan Kuang, De-jun Hu, Lu Wang, Fei Chen, Guang-ping LvThe selection of the matrix is crucial for matrix assisted laser desorption ionization mass spectrometry imaging (MALDI-MSI).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
lec 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
lec Selection of DNA aptamers for detecting metronidazole and ibuprofen: two common additives in soft drinks By pubs.rsc.org Published On :: Analyst, 2024, 149,5482-5490DOI: 10.1039/D4AN01186D, PaperJin Wang, Xiangmei Li, Hongtao Lei, Juewen LiuUsing capture-SELEX, short aptamers for metronidazole and ibuprofen were isolated and they can be used for the detection of these drugs illicitly added to soft drinks.The content of this RSS Feed (c) The Royal Society of Chemistry Full Article
lec 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
lec 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
lec 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
lec 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
lec 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
lec 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
lec Cation effects and charge inversion contribute to the electrostatic stabilisation of protein bioconjugates in neat ionic liquids By pubs.rsc.org Published On :: Phys. Chem. Chem. Phys., 2024, 26,27648-27659DOI: 10.1039/D4CP01811G, PaperLokesh Soni, Raj Kumar, Kamendra P. Sharma, Ajay Singh PanwarDispersion of protein–polymer surfactant bioconjugates was stabilised by a combination of surface overcharging and steric exclusion of long chain cations in neat aprotic ionic liquid.The content of this RSS Feed (c) The Royal Society of Chemistry Full Article
lec 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
lec 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
lec Modeling interfacial electric fields and the ethanol oxidation reaction at electrode surfaces By pubs.rsc.org Published On :: Phys. Chem. Chem. Phys., 2024, 26,27544-27560DOI: 10.1039/D4CP02765E, Paper Open Access   This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.Yuhan Mei, Fanglin Che, N. Aaron DeskinsThe electrochemical environment present at surfaces can have a large effect on surface reactivity.The content of this RSS Feed (c) The Royal Society of Chemistry Full Article
lec 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
lec 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
lec Diffracting molecular matter-waves at deep-ultraviolet standing-light waves By pubs.rsc.org Published On :: Phys. Chem. Chem. Phys., 2024, 26,27617-27623DOI: 10.1039/D4CP03059A, Paper Open Access   This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.Ksenija Simonović, Richard Ferstl, Alfredo Di Silvestro, Marcel Mayor, Lukas Martinetz, Klaus Hornberger, Benjamin A. Stickler, Christian Brand, Markus ArndtWe demonstrate an optical 266 nm beamsplitter for molecular matter-waves, observing effects of optical molecular properties in the gas phase such as absorption cross section and polarisability.The content of this RSS Feed (c) The Royal Society of Chemistry Full Article
lec 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
lec 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
lec 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
lec 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
lec 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
lec 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
lec 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
lec 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
lec 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
lec Self-Healing in Dielectric Capacitors: a Universal Method to Computationally Rate Newly Introduced Energy Storage Designs By pubs.rsc.org Published On :: Phys. Chem. Chem. Phys., 2024, Accepted ManuscriptDOI: 10.1039/D4CP03988B, PaperNadezhda Andreeva, Vitaly V. ChabanMetalized-film dielectric capacitors provide lump portions of energy on demand. While the capacities of various capacitor designs are comparable in magnitude, their stabilities make a difference. Dielectric breakdowns – micro-discharges...The content of this RSS Feed (c) The Royal Society of Chemistry Full Article
lec Electronic Relaxation Pathways in Thio-Acridone and Thio-Coumarin: Two Heavy-Atom-Free Photosensitizers Absorbing Visible Light By pubs.rsc.org Published On :: Phys. Chem. Chem. Phys., 2024, Accepted ManuscriptDOI: 10.1039/D4CP03720K, Paper Open Access   This article is licensed under a Creative Commons Attribution-NonCommercial 3.0 Unported Licence.Chris Acquah, Sean J. Hoehn, Sarah E. Krul, Steffen Jockusch, Shudan Yang, Sourav Kanti Seth, Eric Lee, Han Xiao, Carlos E. Crespo-HernándezHeavy-atom-free photosensitizers (HAF-PSs) have emerged as a new class of photosensitizers aiming to broaden their applicability and versatility across various fields of the photodynamic therapy of cancers. The strategy involves...The content of this RSS Feed (c) The Royal Society of Chemistry Full Article
lec 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
lec Multi-scale study on the electrochemical behavior and corrosion mechanism of 5083 aluminum alloy with different microstructures in a NaCl environment By pubs.rsc.org Published On :: Phys. Chem. Chem. Phys., 2024, Advance ArticleDOI: 10.1039/D4CP03380A, PaperZhijie Dai, Zhengbing Xiao, Dahong Zhao, Sunhang Xiao, Yuanchun Huang, Qingsong DaiMulti-scale study on the electrochemical behavior and corrosion mechanism of 5083 aluminum alloy with different microstructures in a NaCl 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
lec 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
lec Intermolecular interaction potential maps from energy decomposition for interpreting reactivity and intermolecular interactions By pubs.rsc.org Published On :: Phys. Chem. Chem. Phys., 2024, Advance ArticleDOI: 10.1039/D4CP03237C, PaperAmin Kiani, Wentong Zhou, Lawrence M. WolfThe development and application of intermolecular interaction potential maps to rationalize a range of interactions at the DFT level using suitable probes is described.To cite this article before page numbers are assigned, use the DOI form of citation above.The content of this RSS Feed (c) The Royal Society of Chemistry Full Article