RSC – Phys. Chem. Chem. Phys. latest articles- Functionalization of lignocellulosic based fibers for enhanced and sustainable wastewater pollutant removal March 27, 2026Phys. Chem. Chem. Phys., 2026, Advance ArticleDOI: 10.1039/D6CP00006A, PaperDavide Ricci, Ignazio Fiduccia, Andrea Maio, Roberto Scaffaro, Andrea Pace, Carla Rizzo, Ivana PibiriFunctionalized lignocellulosic fibers emerge as renewable, robust and recyclable sorbents for hydrophobic pollutants remediation in wastewater.To cite this article before page numbers are assigned, use the DOI form of citation above.The content of this […]Davide Ricci
- Physicochemical insights into the interaction of cationic peptides (KR12 and TAT(47–57)) with decavanadate: an integrated ITC and molecular dynamics study March 27, 2026Phys. Chem. Chem. Phys., 2026, Advance ArticleDOI: 10.1039/D6CP00083E, PaperMartyna Kapica, Ola Grabowska, Dawid Dębowski, Mikołaj Marszałek, Aleksandra Tesmar, Elżbieta Kamysz, Dariusz Wyrzykowski, Sergey A. SamsonovThis study provides a comprehensive physicochemical characterisation of the interactions between the decavanadate ([V10O28]6−) and two model cationic peptides: the antimicrobial peptide KR12 and the cell-penetrating peptide TAT(47–57).To cite this article […]Martyna Kapica
- Formation and transfer of HCl in a macromolecular noncovalent complex: does the roaming atom mechanism play a role? March 27, 2026Phys. Chem. Chem. Phys., 2026, Accepted ManuscriptDOI: 10.1039/D5CP04965B, PaperMin Liu, Marwa Abdelmouleh, Alexandre Giuliani, Laurent Nahon, Jean-Christophe PoullyIn the last twenty years, the “roaming atom” mechanism emerged and gained enormous interest thanks to its success in explaining experimental results that are not accounted for by the widely...The content of this RSS Feed (c) The Royal […]Min Liu
- Molecular Dynamics Simulations of pH-Dependent Ciprofloxacin Adsorption to Na-montmorillonite March 27, 2026Phys. Chem. Chem. Phys., 2026, Accepted ManuscriptDOI: 10.1039/D5CP04597E, Paper Open Access   This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.Rogers E. Swai, Michael HolmboeCiprofloxacin (CIP) is one of the most widely used and environmentally persistent antibiotic compounds, which is increasingly being found in soils, sediments, and natural waters. Because CIP strongly […]Rogers E. Swai
- Real-time tracking of interfacial charge dynamics in a metal–dielectric Janus nanocluster March 27, 2026Phys. Chem. Chem. Phys., 2026, Advance ArticleDOI: 10.1039/D6CP00199H, PaperJunais Habeeb MokkathPlasmon excitation in a finite Au–Si Janus nanocluster drives near-Fermi-level electron injection into Si via hybridized metal–dielectric interface states, bypassing conventional Schottky-type hot-electron transport.To cite this article before page numbers are assigned, use the DOI form of citation above.The content of this RSS Feed (c) […]Junais Habeeb Mokkath
- Electron Beam Radiolysis of Methane to Produce Hydrogen: Modelling the First Generation of Products March 27, 2026Phys. Chem. Chem. Phys., 2026, Accepted ManuscriptDOI: 10.1039/D6CP00370B, PaperAlexander Kostiuk, Abdul Rahman Khan, Pooja Saini, Thomas Simala-Grant, Jason S. Olfert, Larry KostiukThe initial stages of producing hydrogen from methane using electron beam radiolysis was explored numerically. A Monte Carlo model was developed to track electrons with initial energies up to 100...The content of this RSS […]Alexander Kostiuk
- A Direct-Band-Gap Planar BeN2 Monolayer with High Mobility and Bilayer-Enhanced Photovoltaic Efficiency March 27, 2026Phys. Chem. Chem. Phys., 2026, Accepted ManuscriptDOI: 10.1039/D6CP00548A, PaperChangping Sun, Renyu Duan, Hongzhe Pan, Zhaoxin Lu, Caoping Niu, Meiling Xu, Yinwei LiTwo-dimensional materials featuring direct and tunable band gaps, high carrier mobility, and strong visiblelight absorption have attracted considerable attention as promising platforms for next-generation nanoelectronic and optoelectronic applications. In this...The content of this RSS […]Changping Sun
- Rational Engineering of Cu-BTC/Al 2 S 3 @PPy with Improved Charge Transport and Interfacial Properties for Energy Storage and Hydrogen Evolution Reaction March 26, 2026Phys. Chem. Chem. Phys., 2026, Accepted ManuscriptDOI: 10.1039/D5CP03784K, PaperMuhammad Ashraf, Afaf Khadr Alqorashi, Muhammad Waqas Iqbal, Muhammad Arslan Sunny, Summaira khan, Abhinav Kumar, N.A. Ismayilova, Ankit Oza, Heba Ahamed Elsabban, Mohamed A. Diab, Tahmina YaseenIn today's energy landscape, efficient energy storage devices are essential, with supercapacitors standing out as one of the most promising modern […]Muhammad Ashraf
- Slide Electrification Charge Can Exist without Residual Liquid Film: KPFM Measurements near Receding Three-Phase Contact Lines March 26, 2026Phys. Chem. Chem. Phys., 2026, Accepted ManuscriptDOI: 10.1039/D6CP00454G, Paper Open Access   This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.Yuki Ishihara, Hideaki Teshima, Qinyi Li, Koji TakahashiSpontaneous charge transport near the solid-gas-liquid three-phase contact line (TPCL) is a key phenomenon for interfacedriven power generation and related applications, yet its details-especially near […]Yuki Ishihara
- Dual-Enhanced Fluorescent Biosensors Using Metal-Coated Piezoelectric Nanoimprinted Substrates March 26, 2026Phys. Chem. Chem. Phys., 2026, Accepted ManuscriptDOI: 10.1039/D6CP00071A, Paper Open Access   This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.Ghadeer Almohammadi, Dominik Duleba, Aeshah Alotaibi, Eni Kume, Adrià Martínez Aviñó, James Rice, Robert Peter JohnsonThe integration of piezoelectric polymers with metallic nanostructures provides new opportunities for developing highly responsive fluorescent sensing […]Ghadeer Almohammadi
- Surface reactions of iron precursors for focused electron beam induced deposition revealed by reflection absorption infrared spectroscopy March 26, 2026Phys. Chem. Chem. Phys., 2026, Accepted ManuscriptDOI: 10.1039/D6CP00492J, Paper Open Access   This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.Lars Barnewitz, Hannah Boeckers, Atul Chaudhary, Lisa McElwee-White, Petra SwiderekThis study compares the thermal surface chemistry of Fe(CO)5, Fe(CO)4A (A = acrolein) and Fe(CO)4MA (MA = methyl acrylate) on Fe seed deposits […]Lars Barnewitz
- Multistep Thermal Decomposition of Energetic NMe4B3H8 : Insights from Combined Kinetic and Microscopic Analyses March 26, 2026Phys. Chem. Chem. Phys., 2026, Accepted ManuscriptDOI: 10.1039/D6CP00201C, PaperYixin Gu, Ming Jiang, Ronggang Wei, Shaoqing HuTetramethylammonium octahydrotriborate (NMe4B3H8) is a promising highenergy fuel component for solid ramjets due to its high hydrogen-boron content and excellent chemical stability. This study elucidates its physicochemical properties and complex...The content of this RSS Feed (c) The Royal Society of […]Yixin Gu
- Beyond the Crystal: Molecular Dynamics Investigations of CETP with Varied Lipid Substrates Reveal Asymmetric Dominant Motions March 26, 2026Phys. Chem. Chem. Phys., 2026, Accepted ManuscriptDOI: 10.1039/D5CP04660B, PaperBharath Raj Parthasarathy, Sanjib SenapatiCholesteryl Ester Transfer Protein (CETP) is a crucial therapeutic target for combating cardiovascular diseases (CVD) due to its strong influence in modulating high-density lipoprotein (HDL) levels. CETP is responsible for...The content of this RSS Feed (c) The Royal Society of ChemistryBharath Raj Parthasarathy
- Controlling the pH of aqueous succinic and maleic acids analyzed by X-ray absorption spectroscopy March 25, 2026Phys. Chem. Chem. Phys., 2026, Accepted ManuscriptDOI: 10.1039/D6CP00520A, Paper Open Access   This article is licensed under a Creative Commons Attribution-NonCommercial 3.0 Unported Licence.Risa Okada, Rikuya Adachi, Ryosuke Yamamura, Taiga Suenaga, Takashi Tokushima , Yuka Horikawa, Masaki Oura, Osamu TakahashiX-ray absorption spectroscopy (XAS) measurements were performed at the oxygen K-edge using aqueous solutions of succinic […]Risa Okada
- Structural, electronic, optical, and photovoltaic properties of 4-atom Au–Ag–Cu clusters: a first-principles study March 25, 2026Phys. Chem. Chem. Phys., 2026, Advance ArticleDOI: 10.1039/D5CP04394H, PaperWeiyin Li, Longcan ChengThe structural, electronic, optical, and photovoltaic properties of 4-atom Au–Ag–Cu clusters were systematically investigated using GGA/PBE.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 ChemistryWeiyin Li
- Unveiling the binding mechanism of orexin 2 receptor antagonists with computational chemistry March 25, 2026Phys. Chem. Chem. Phys., 2026, Advance ArticleDOI: 10.1039/D5CP03790E, PaperCaio Patricio de Souza Sena, Pedro Corso de Albuquerque, Umberto Laino Fulco, Jonas Ivan Nobre de Oliveira, Davi Serradella VieiraA detailed understanding of ligand recognition and binding at the orexin receptor 2 (OXR2) is essential for the rational design of selective therapeutics for sleep and neuropsychiatric disorders.To […]Caio Patricio de Souza Sena
- Dynamics in renewable sourced random poly(trimethylene 2,5-furanoate-co-trimethylene suberate) copolymers: isobaric fragility and compensation law in secondary relaxations March 25, 2026Phys. Chem. Chem. Phys., 2026, Accepted ManuscriptDOI: 10.1039/D5CP03981A, Paper Open Access   This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.Agata zubkiewicz, Alejandro Sanz, Tiberio Ezquerra, Anna SzymczykThis article presents an experimental study on the relaxation dynamics in a series of random copolymers with optimum gas barrier properties based on bio-friendly monomers. […]Agata zubkiewicz
- Strain-Tunable Opto-electronics in PdS2 Monolayer: the Role of Band Nesting and Carrier-Phonon Scattering March 25, 2026Phys. Chem. Chem. Phys., 2026, Accepted ManuscriptDOI: 10.1039/D5CP04868K, PaperHongfa Wang, Yancheng Gong, Subrahmanyam Pattamatta, Junwen Li, Hailong Wang, Zhizi GuanStrain engineering is a powerful strategy for tuning the optoelectronic properties in two-dimensional materials, yet the underlying mechanisms governing their strain response are often not fully elucidated. In this work,...The content of this RSS Feed (c) […]Hongfa Wang
- Study on translational diffusion of solute molecules in novel phosphonium-based dicationic ionic liquids by transient grating spectroscopy March 25, 2026Phys. Chem. Chem. Phys., 2026, Advance ArticleDOI: 10.1039/D5CP04887G, Paper Open Access   This article is licensed under a Creative Commons Attribution-NonCommercial 3.0 Unported Licence.Masaki Fujiwara, Shinya Okazoe, Sawaya Suzuki, Koji Osawa, Takatsugu Endo, Yoshifumi KimuraSimilar T/η dependence of CO diffusion between dicationic and monocationic ionic liquids.To cite this article before page numbers are assigned, use […]Masaki Fujiwara
- TransG4: an interpretable deep-learning approach for sequence-based G-quadruplex prediction March 25, 2026Phys. Chem. Chem. Phys., 2026, Advance ArticleDOI: 10.1039/D6CP00173D, PaperYongna Yuan, Yaojie Tian, Zhenyu Liu, Jun MaG4 formation propensity is predicted using CNN, transformer and BiGRU models on G4-seq and rG4-seq data. DNA mismatch and RNA RSR scores are estimated, and attention-derived motifs reveal sequence features linked to G4 structures.To cite this article before page numbers […]Yongna Yuan
- Functionalization of lignocellulosic based fibers for enhanced and sustainable wastewater pollutant removal March 27, 2026
