Understanding the function of water during the gelation of globular protein by temperature dependent near infrared spectroscopy
Phys. Chem. Chem. Phys., 2018, Accepted Manuscript DOI: 10.1039/C8CP01431K, PaperLi Ma, Xiaoyu Cui, Wensheng Cai, Xueguang Shao Water plays an indispensable role during the gelation of protein, but its function still remains unclear. In this work, the variation of water with the structural change of globular protein... The content of this RSS Feed (c) The Royal Society of Chemistry (Source: RSC - Phys. Chem. Chem. Phys. latest articles)
Source: RSC - Phys. Chem. Chem. Phys. latest articles - July 11, 2018 Category: Chemistry Authors: Li Ma Source Type: research

Fluorescence Anisotropy in Indole Under Two-Photon Excitation in the Spectral Range 385-510 nm
Phys. Chem. Chem. Phys., 2018, Accepted Manuscript DOI: 10.1039/C8CP02708K, PaperMaxim E. Sasin, Andrey G. Smolin, Karl-Heinz Gericke, Eiji Tokunaga, Oleg S. Vasyutinskii The paper presents the detailed study of two-photon excited fluorescence in indole dissolved in propylene glycol produced by two-photon absorption from the molecular ground state to several highly laying excited... The content of this RSS Feed (c) The Royal Society of Chemistry (Source: RSC - Phys. Chem. Chem. Phys. latest articles)
Source: RSC - Phys. Chem. Chem. Phys. latest articles - July 11, 2018 Category: Chemistry Authors: Maxim E. Sasin Source Type: research

Dendritic polyelectrolytes as seen by the Poisson –Boltzmann–Flory theory
Phys. Chem. Chem. Phys., 2018,20,17818-17828 DOI: 10.1039/C8CP02440E, PaperJ. S. K łos, J. Milewski The conformational and electrostatic properties of dendritic polyelectrolytes accompanied by counterions are investigated using the Poisson –Boltzmann–Flory theory. The content of this RSS Feed (c) The Royal Society of Chemistry (Source: RSC - Phys. Chem. Chem. Phys. latest articles)
Source: RSC - Phys. Chem. Chem. Phys. latest articles - July 10, 2018 Category: Chemistry Authors: J. S. K łos Source Type: research

Probing the local interface properties at a graphene –MoSe2 in-plane lateral heterostructure: an ab initio study
We report a theoretical study of the local interface properties at a graphene –MoSe2 (G –MoSe2) in-plane lateral heterostructure. The content of this RSS Feed (c) The Royal Society of Chemistry (Source: RSC - Phys. Chem. Chem. Phys. latest articles)
Source: RSC - Phys. Chem. Chem. Phys. latest articles - July 10, 2018 Category: Chemistry Authors: Everson S. Souza Source Type: research

Atomic-scale description of interfaces in rutile/sodium silicate glass –crystal composites
This article is licensed under aCreative Commons Attribution 3.0 Unported Licence.Paul C. M. Fossati, Michael J. D. Rushton, William E. Lee Investigations of glass/crystal interfaces using atomic-scale models underlined structural changes in the glass phase as it accommodates the underlying crystal structure. The content of this RSS Feed (c) The Royal Society of Chemistry (Source: RSC - Phys. Chem. Chem. Phys. latest articles)
Source: RSC - Phys. Chem. Chem. Phys. latest articles - July 10, 2018 Category: Chemistry Authors: Paul C. M. Fossati Source Type: research

Reliable and computationally affordable prediction of the energy gap of (TiO2)n (10 ≤ n ≤ 563) nanoparticles from density functional theory
Phys. Chem. Chem. Phys., 2018, Advance Article DOI: 10.1039/C8CP03582B, CommunicationÁngel Morales-García, Rosendo Valero, Francesc Illas Suitable and practical way to estimateOgap of TiO2 nanoparticles containing up to thousands of atoms from computationally affordable relativistic all-electron calculations with a numerical atomic centered orbital basis set. 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 (Source: RSC - Phys. Chem. Chem. Phys. latest articles)
Source: RSC - Phys. Chem. Chem. Phys. latest articles - July 10, 2018 Category: Chemistry Authors: Ángel Morales-García Source Type: research

Disordered peptide chains in an α-C-based coarse-grained model
Phys. Chem. Chem. Phys., 2018, Advance Article DOI: 10.1039/C8CP03309A, PaperŁukasz Mioduszewski, Marek Cieplak A one-bead-per-residue coarse-grained dynamical model for intrinsically disordered proteins is proposed. It distinguishes between the backbone and sidechain interactions. 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 (Source: RSC - Phys. Chem. Chem. Phys. latest articles)
Source: RSC - Phys. Chem. Chem. Phys. latest articles - July 10, 2018 Category: Chemistry Authors: Łukasz Mioduszewski Source Type: research

Highly responsive hydrazine sensors based on donor –acceptor perylene diimides: impact of electron-donating groups
Phys. Chem. Chem. Phys., 2018, Advance Article DOI: 10.1039/C8CP03400A, PaperYongwei Huang, Shasha Zhang, Guangcai Zhong, Chunli Li, Zhonghua Liu, Dongzhu Jin This work presents a new protocol for the design of highly responsive hydrazine sensors based on donor –acceptor perylenediimides. 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 (Source: RSC - Phys. Chem. Chem. Phys. latest articles)
Source: RSC - Phys. Chem. Chem. Phys. latest articles - July 10, 2018 Category: Chemistry Authors: Yongwei Huang Source Type: research

Relationship between electron –phonon interaction and low-frequency Raman anisotropy in high-mobility organic semiconductors
Phys. Chem. Chem. Phys., 2018, Advance Article DOI: 10.1039/C8CP03232G, CommunicationA. Yu. Sosorev, D. R. Maslennikov, I. Yu. Chernyshov, D. I. Dominskiy, V. V. Bruevich, M. V. Vener, D. Yu. Paraschuk Raman spectroscopy and calculations probe the impact of low-frequency vibrations in anisotropic electron –phonon interaction. 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 (Source: RSC - Phys. Chem. Chem. Phys. latest articles)
Source: RSC - Phys. Chem. Chem. Phys. latest articles - July 10, 2018 Category: Chemistry Authors: A. Yu. Sosorev Source Type: research

Liquid –liquid phase separation and evaporation of a laser-trapped organic–organic airborne droplet using temporal spatial-resolved Raman spectroscopy
Phys. Chem. Chem. Phys., 2018, Advance Article DOI: 10.1039/C8CP02372G, PaperAimable Kalume, Chuji Wang, Joshua Santarpia, Yong-Le Pan Using temporal position-resolved Raman spectroscopy, different gradient distributions of two chemicals an different time within an airborne droplets were directly observed, as well as their phase separation and evaporation processes. 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 (Source: RSC - Phys. Chem. Chem. Phys. latest articles)
Source: RSC - Phys. Chem. Chem. Phys. latest articles - July 10, 2018 Category: Chemistry Authors: Aimable Kalume Source Type: research

Tubular J-aggregates of a new thiacarbocyanine Cy5 dye for the far-red spectral region – a spectroscopic and cryo-transmission electron microscopy study
Phys. Chem. Chem. Phys., 2018, Advance Article DOI: 10.1039/C8CP03378A, PaperHans v. Berlepsch, Christoph B öttcher A new phenol-substituted Cy5 dye forms tubular J-aggregates that are active in the far-red spectral region. 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 (Source: RSC - Phys. Chem. Chem. Phys. latest articles)
Source: RSC - Phys. Chem. Chem. Phys. latest articles - July 10, 2018 Category: Chemistry Authors: Hans v. Berlepsch Source Type: research

Molecular structure of octadecylphosphonic acids during their self-assembly on α-Al2O3(0001)
Phys. Chem. Chem. Phys., 2018, Accepted Manuscript DOI: 10.1039/C8CP02391C, PaperChristian Meltzer, Hui Yu, Wolfgang Peukert, Bjoern Braunschweig The formation of octadecylphosphonic acid (ODPA) self-assembled monolayers (SAMs) from 2-propanol solutions on hydroxylated α-Al2O3(0001) surfaces was studied in situ and in real time at the solid/liquid interface. Time-resolved vibrational... The content of this RSS Feed (c) The Royal Society of Chemistry (Source: RSC - Phys. Chem. Chem. Phys. latest articles)
Source: RSC - Phys. Chem. Chem. Phys. latest articles - July 10, 2018 Category: Chemistry Authors: Christian Meltzer Source Type: research

Activation of Kagome lattice-structured Cu3V2O7(OH)2 ·2H2O volborthite via hydrothermal crystallization for boosting visible light-driven water oxidation
We report a feasible strategy via hydrothermal crystallization to activate Kagome lattice-structured Cu3V2O7(OH)2 ·2H2O volborthite mineral as a stable visible-light-driven photocatalyst. It was demonstrated to play a crucial role in awakening... The content of this RSS Feed (c) The Royal Society of Chemistry (Source: RSC - Phys. Chem. Chem. Phys. latest articles)
Source: RSC - Phys. Chem. Chem. Phys. latest articles - July 10, 2018 Category: Chemistry Authors: Ping Wang Source Type: research

Probing the π→π* photoisomerization mechanism of trans-azobenzene by multi-state ab initio on-the-fly trajectory dynamics simulation
Phys. Chem. Chem. Phys., 2018, Accepted Manuscript DOI: 10.1039/C8CP02767F, Paperchao xu, Le Yu, Feng Long Gu, Chao Yuan Zhu The global nonadiabatic switching on-the-fly trajectory surface hopping simulation at 5SA-CASSCF(6,6)/6-31G quantum level has been employed to probe photoisomerization mechanism of trans-azobenzene upon ππ* excitation within four coupled singlet low-lying... The content of this RSS Feed (c) The Royal Society of Chemistry (Source: RSC - Phys. Chem. Chem. Phys. latest articles)
Source: RSC - Phys. Chem. Chem. Phys. latest articles - July 10, 2018 Category: Chemistry Authors: chao xu Source Type: research

Unveiling the complex vibronic structure of the canonical adenine cation
Phys. Chem. Chem. Phys., 2018, Advance Article DOI: 10.1039/C8CP02930J, PaperHong Yan Zhao, Kai-Chung Lau, Gustavo A. Garcia, Laurent Nahon, St éphane Carniato, Lionel Poisson, Martin Schwell, Muneerah Mogren Al-Mogren, Majdi Hochlaf Adenine, a DNA base, exists as several tautomers and isomers that are closely lying in energy and that may form a mixture upon vaporization of solid adenine. 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 (Source: RSC - Phys. Chem. Chem. Phys. latest articles)
Source: RSC - Phys. Chem. Chem. Phys. latest articles - July 10, 2018 Category: Chemistry Authors: Hong Yan Zhao Source Type: research

Elucidating mysteries of phase-segregated membranes: mobile-lipid recruitment facilitates pores ’ passage to the fluid phase
Phys. Chem. Chem. Phys., 2018, Advance Article DOI: 10.1039/C8CP00958A, PaperJes ús M. López Martí, Niall J. English, Mario G. Del Pópolo Transmembrane pores created in liquid-ordered domains of phase segregated membranes migrate spontaneously to the liquid-disordered phase,via‘recruitment’ of unsaturated lipids to the pore's rim. 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 (Source: RSC - Phys. Chem. Chem. Phys. latest articles)
Source: RSC - Phys. Chem. Chem. Phys. latest articles - July 10, 2018 Category: Chemistry Authors: Jes ús M. López Martí Source Type: research

Defects in orthorhombic LaMnO3 – ionic versus electronic compensation
Phys. Chem. Chem. Phys., 2018, Advance Article DOI: 10.1039/C8CP02763C, PaperAilbhe L. Gavin, Graeme W. Watson The findings of this work represent a comprehensive study of alkaline earth doping of bulk orthorhombic LaMnO3 to determine site selectivity and the charge compensation mechanism for the dopants. 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 (Source: RSC - Phys. Chem. Chem. Phys. latest articles)
Source: RSC - Phys. Chem. Chem. Phys. latest articles - July 10, 2018 Category: Chemistry Authors: Ailbhe L. Gavin Source Type: research

Entropic Effect Makes a More Tightly Folded Conformer of a β-Amino Acid Less Stable: UV-UV Hole Burning and IR Dip Spectroscopy of L-β3-Homotryptophan by Laser Desorption Supersonic Jet Technique
Phys. Chem. Chem. Phys., 2018, Accepted Manuscript DOI: 10.1039/C8CP02106F, PaperWoon Yong Sohn, Jeong Jin Kim, MyeongWon Jeon, Takuma Aoki, Shun-ichi Ishiuchi, Masaaki Fujii, Hyuk KANG UV-UV hole burning and IR dip spectra of L- β3-homotryptophan were measured by laser desorption supersonic jet technique as a bottom-up approach to understand secondary structures of β-peptides. 14 conformers were... The content of this RSS Feed (c) The Royal Society of Chemistry (Source: RSC - Phys. Chem. Chem. Phys. latest articles)
Source: RSC - Phys. Chem. Chem. Phys. latest articles - July 10, 2018 Category: Chemistry Authors: Woon Yong Sohn Source Type: research

Sublimation thermodynamic aspects of adamantane and memantine derivatives of sulfonamide molecular crystals
Phys. Chem. Chem. Phys., 2018, Accepted Manuscript DOI: 10.1039/C8CP03716G, PaperGerman L. Perlovich, Tatyana V. Volkova A number of new sulfonamide compounds with adamantane and memantine fragments were synthesized and characterized. Thermodynamic functions of sublimation processes have been determined basing on experimental values of saturated vapor... The content of this RSS Feed (c) The Royal Society of Chemistry (Source: RSC - Phys. Chem. Chem. Phys. latest articles)
Source: RSC - Phys. Chem. Chem. Phys. latest articles - July 10, 2018 Category: Chemistry Authors: German L. Perlovich Source Type: research

Real-time measurement of the crystal violet adsorption behavior and interaction process at the silica –aqueous interface by near-field evanescent wave
Phys. Chem. Chem. Phys., 2018, Advance Article DOI: 10.1039/C8CP03552K, PaperYan Xiong, Jie Chen, Ming Duan, Shenwen Fang Orientation deposition of the CV adsorption model with electrostatic attraction to SiO−, hydrogen bond to SiOH, and van der Waals force to the surface. 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 (Source: RSC - Phys. Chem. Chem. Phys. latest articles)
Source: RSC - Phys. Chem. Chem. Phys. latest articles - July 10, 2018 Category: Chemistry Authors: Yan Xiong Source Type: research

Understanding Mode-Specific Dynamics in the Local Mode Representation
Phys. Chem. Chem. Phys., 2018, Accepted Manuscript DOI: 10.1039/C8CP03240H, PaperHongwei Song, Minghui Yang Mode specificity is a main characteristic of transition state control of reaction dynamics. The normal mode representation has been widely employed to describe the mode specificity in elementary chemical reactions.... The content of this RSS Feed (c) The Royal Society of Chemistry (Source: RSC - Phys. Chem. Chem. Phys. latest articles)
Source: RSC - Phys. Chem. Chem. Phys. latest articles - July 10, 2018 Category: Chemistry Authors: Hongwei Song Source Type: research

Imaging pair-correlated reaction cross sections in F + CH3D( νb = 0, 1) → CH2D(ν4 = 1) + HF(ν)
Phys. Chem. Chem. Phys., 2018, Advance Article DOI: 10.1039/C8CP03443E, PaperChung-Hsin Yang, Li-Li Hu, Kopin Liu Product pair-correlated distributions in the title reactions are revealed by imaging the state-tagged CH2D(ν4 = 1) products. 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 (Source: RSC - Phys. Chem. Chem. Phys. latest articles)
Source: RSC - Phys. Chem. Chem. Phys. latest articles - July 10, 2018 Category: Chemistry Authors: Chung-Hsin Yang Source Type: research

Applicability of a linear diffusion model to determination of the height of the potential barrier at the grain boundaries of Fe-doped SrTiO3
Phys. Chem. Chem. Phys., 2018, Advance Article DOI: 10.1039/C8CP02806K, PaperChih-Yuan S. Chang, Igor Lubomirsky, Sangtae Kim Experimental verification of a linear diffusion model on a lightly doped electron –hole conductor, Fe-doped SrTiO3. 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 (Source: RSC - Phys. Chem. Chem. Phys. latest articles)
Source: RSC - Phys. Chem. Chem. Phys. latest articles - July 10, 2018 Category: Chemistry Authors: Chih-Yuan S. Chang Source Type: research

Study of light-induced formation of photodimers in the i-motif nucleic acid structure by rapid-scan FTIR difference spectroscopy and hybrid hard- and soft-modelling
Phys. Chem. Chem. Phys., 2018, Accepted Manuscript DOI: 10.1039/C8CP00850G, PaperSanae Benabou, Cyril Ruckebusch, Michel Sliwa, Ramon Eritja, Raimundo Gargallo, Anna de Juan, Anna Avi ñó The i-motif is a DNA structure formed by cytosine-rich sequences, very relevant from a biochemical point of view and potentially useful in Nanotechnology as pH-sensitive nanodevices or nanomotors. To provide... The content of this RSS Feed (c) The Royal Society of Chemistry (Source: RSC - Phys. Chem. Chem. Phys. latest articles)
Source: RSC - Phys. Chem. Chem. Phys. latest articles - July 10, 2018 Category: Chemistry Authors: Sanae Benabou Source Type: research

The Mechanism Difference Between CO2 and pH Stimuli For a Dual Responsive Wormlike Micellar System
Phys. Chem. Chem. Phys., 2018, Accepted Manuscript DOI: 10.1039/C8CP02107D, PaperCaili Dai, Qianru Yang, Mingwei Gao, Mingwei Zhao, Jianfeng Jiang To indicate the difference between pH and CO2 stimuli mechanisms, a dual responsive system is constructed with the aid ofN-[3-(dimethylamino)propyl]docosanamide (NDPD) and sodium salicylate (NaSal), which is responsive to... The content of this RSS Feed (c) The Royal Society of Chemistry (Source: RSC - Phys. Chem. Chem. Phys. latest articles)
Source: RSC - Phys. Chem. Chem. Phys. latest articles - July 10, 2018 Category: Chemistry Authors: Caili Dai Source Type: research

Brightly Luminescent and Color-Tunable Green-violet-emitting Halide Perovskite CH3NH3PbBr3 Colloidal Quantum Dots: An Alternative for Lighting and Display Technology
Phys. Chem. Chem. Phys., 2018, Accepted Manuscript DOI: 10.1039/C8CP02776E, PaperYonghao Liu, Quan Xu, Shuai Chang, Zhao Lv, Sheng Huang, Feng Jiang, Xin Zhang, Gaoling Yang, Xin Tong, Shujuan Hao, Yandong Ren Organic −inorganic hybrid perovskite (CH3NH3PbX3, X = Cl, Br, or I) quantum dots have become one of the most promising materials for optoelectronic applications. We controllably synthesized CH3NH3PbBr3 quantum dots with... The content of this RSS Feed (c) The Royal Society of Chemistry (Source: RSC - Phys. Chem. Chem. Phys. latest articles)
Source: RSC - Phys. Chem. Chem. Phys. latest articles - July 10, 2018 Category: Chemistry Authors: Yonghao Liu Source Type: research

Inducing Regioselective Chemical Reactivity in Graphene with Alkali Metal Intercalation
Phys. Chem. Chem. Phys., 2018, Accepted Manuscript DOI: 10.1039/C8CP02903B, PaperIzaac Mitchell, Stephan Irle, Alister Page First principles calculations demonstrate that alkali metal atoms, intercalated between metal substrates and adsorbed graphene monolayers, induce localised regions of increased reactivity in adsorbed graphene monolayers. The extent of this... The content of this RSS Feed (c) The Royal Society of Chemistry (Source: RSC - Phys. Chem. Chem. Phys. latest articles)
Source: RSC - Phys. Chem. Chem. Phys. latest articles - July 10, 2018 Category: Chemistry Authors: Izaac Mitchell Source Type: research

Reduction of C=O functional group through H addition reaction: a comparative study between H2CO + H, CH3CH2CHO + H and CH3OCHO + H under interstellar conditions
Phys. Chem. Chem. Phys., 2018, Accepted Manuscript DOI: 10.1039/C8CP03249A, PaperLahouari Krim, Mindaugas Jonusas, Jean-Claude Guillemin, Manuel Yanez, Al Mokhtar lamsabhi The H-addition reactions on the icy interstellar grains may play an important role into the formation of complex organic molecules. In the present work we propose a comparative study of... The content of this RSS Feed (c) The Royal Society of Chemistry (Source: RSC - Phys. Chem. Chem. Phys. latest articles)
Source: RSC - Phys. Chem. Chem. Phys. latest articles - July 10, 2018 Category: Chemistry Authors: Lahouari Krim Source Type: research

Entropic Effect Makes a More Tightly Folded Conformer of a [small beta]-Amino Acid Less Stable: UV-UV Hole Burning and IR Dip Spectroscopy of L-[small beta]3-Homotryptophan by Laser Desorption Supersonic Jet Technique
Phys. Chem. Chem. Phys., 2018, Accepted Manuscript DOI: 10.1039/C8CP02106F, PaperWoon Yong Sohn, Jeong Jin Kim, MyeongWon Jeon, Takuma Aoki, Shun-ichi Ishiuchi, Masaaki Fujii, Hyuk KANG UV-UV hole burning and IR dip spectra of L-[small beta]3-homotryptophan were measured by laser desorption supersonic jet technique as a bottom-up approach to understand secondary structures of [small beta]-peptides. 14 conformers were... The content of this RSS Feed (c) The Royal Society of Chemistry (Source: RSC - Phys. Chem. Chem. Phys. latest articles)
Source: RSC - Phys. Chem. Chem. Phys. latest articles - July 10, 2018 Category: Chemistry Authors: Woon Yong Sohn Source Type: research

Collision-Induced Dissociation of Sodiated Glucose, Galactose, Mannose, and the Identification of Anomeric Configuration
Phys. Chem. Chem. Phys., 2018, Accepted Manuscript DOI: 10.1039/C8CP03753A, PaperHai Thi Huynh, Huu Trong Phan, Po-Jen Hsu, Jien-Lian Chen, Hock-Seng Nguan, Shang-Ting Tsai, Thanthip Roongcharoen, Chia Yen Liew, Chi-Kung Ni, Jer-Lai Kuo Collision-induced dissociation of sodiated [small alpha]-glucose, [small beta]-glucose, [small alpha]-galactose, [small beta]-galactose, [small alpha]-mannose, and [small beta]-mannose were studied using electronic structure calculations and resonance excitation in a low-pressure linear ion trap. We made an extensive... The content of this RSS Feed (c) The Royal Society of Chemistry (Source...
Source: RSC - Phys. Chem. Chem. Phys. latest articles - July 9, 2018 Category: Chemistry Authors: Hai Thi Huynh Source Type: research

Structures of FEC-containing Electrolytes and Stabilization Mechanism at High Voltage and Elevated Temperature
Phys. Chem. Chem. Phys., 2018, Accepted Manuscript DOI: 10.1039/C7CP08362A, PaperYamin Wang, Debing Li, Xiaoying Yu, Chao Shang, Yingchun Liu, Qi Wang The performance of lithium-ion batteries is strongly dependent on the property of electrolytes. Understanding of the role of electrolytes is significant for the performance improvement of batteries. In this work,... The content of this RSS Feed (c) The Royal Society of Chemistry (Source: RSC - Phys. Chem. Chem. Phys. latest articles)
Source: RSC - Phys. Chem. Chem. Phys. latest articles - July 9, 2018 Category: Chemistry Authors: Yamin Wang Source Type: research

Macromolecular crowding and the importance of proper hydration for the structure and dynamics of protein solutions
Phys. Chem. Chem. Phys., 2018, Accepted Manuscript DOI: 10.1039/C8CP02360C, PaperPhilipp Honegger, Michael Schmollngruber, Othmar Steinhauser Recent experiments by Weingaertner et al. have given a first hint that dielectric spectroscopy is able to yield a quantitative measure of inter-protein mutual orientation. Therefore, in this computational study,... The content of this RSS Feed (c) The Royal Society of Chemistry (Source: RSC - Phys. Chem. Chem. Phys. latest articles)
Source: RSC - Phys. Chem. Chem. Phys. latest articles - July 9, 2018 Category: Chemistry Authors: Philipp Honegger Source Type: research

Molecular structure of octadecylphosphonic acids during their self-assembly on [small alpha]-Al2O3(0001)
Phys. Chem. Chem. Phys., 2018, Accepted Manuscript DOI: 10.1039/C8CP02391C, PaperChristian Meltzer, Hui Yu, Wolfgang Peukert, Bjoern Braunschweig The formation of octadecylphosphonic acid (ODPA) self-assembled monolayers (SAMs) from 2-propanol solutions on hydroxylated [small alpha]-Al2O3(0001) surfaces was studied in situ and in real time at the solid/liquid interface. Time-resolved vibrational... The content of this RSS Feed (c) The Royal Society of Chemistry (Source: RSC - Phys. Chem. Chem. Phys. latest articles)
Source: RSC - Phys. Chem. Chem. Phys. latest articles - July 9, 2018 Category: Chemistry Authors: Christian Meltzer Source Type: research

Activation of Kagome lattice-structured Cu3V2O7(OH)2[middle dot]2H2O volborthite via hydrothermal crystallization for boosting visible light-driven water oxidation
We report a feasible strategy via hydrothermal crystallization to activate Kagome lattice-structured Cu3V2O7(OH)2[middle dot]2H2O volborthite mineral as a stable visible-light-driven photocatalyst. It was demonstrated to play a crucial role in awakening... The content of this RSS Feed (c) The Royal Society of Chemistry (Source: RSC - Phys. Chem. Chem. Phys. latest articles)
Source: RSC - Phys. Chem. Chem. Phys. latest articles - July 9, 2018 Category: Chemistry Authors: Ping Wang Source Type: research

Photoincued charge transfer by one and two-photon absorptions: Physical Mechanisms and Applications
Phys. Chem. Chem. Phys., 2018, Accepted Manuscript DOI: 10.1039/C8CP03442G, PerspectiveHuan Zhong, Xinxin Wang, Jun Quan, Chunhua Tian, Mengtao Sun We review photoincued charge transfer in organic solar cells without and with external electric field, respectively. and then we introduce the visualization methods of transition density, charge difference density and... The content of this RSS Feed (c) The Royal Society of Chemistry (Source: RSC - Phys. Chem. Chem. Phys. latest articles)
Source: RSC - Phys. Chem. Chem. Phys. latest articles - July 9, 2018 Category: Chemistry Authors: Huan Zhong Source Type: research

Micellar and Bicontinuous Microemulsion Structures Show Different Solute-Solvent Interaction: A Case Study by Ultrafast Nonlinear Infrared Spectroscopy
Phys. Chem. Chem. Phys., 2018, Accepted Manuscript DOI: 10.1039/C8CP01024B, PaperJinger Zang, Minjun Feng, juan zhao, 建平 王 Microemulsions are transparent, thermodynamically stable liquid mixtures of oil, water and surfactant. They typically exist in the form of micellar and bicontinuous structures, which appear to be equilibrium systems but... The content of this RSS Feed (c) The Royal Society of Chemistry (Source: RSC - Phys. Chem. Chem. Phys. latest articles)
Source: RSC - Phys. Chem. Chem. Phys. latest articles - July 9, 2018 Category: Chemistry Authors: Jinger Zang Source Type: research

Novel organic electrochromic device with hybrid capacitor architecture towards multicolour representation
Phys. Chem. Chem. Phys., 2018, Accepted Manuscript DOI: 10.1039/C8CP02274G, PaperZhuang Liang, Masahiro Yukikawa, Kazuki Nakamura, Norihisa Kobayashi Despite the application of electrochromic (EC) technologies in various optical modulating devices, the challenge to achieve multicolour EC behavior in a single device still remains. However, because almost all EC... The content of this RSS Feed (c) The Royal Society of Chemistry (Source: RSC - Phys. Chem. Chem. Phys. latest articles)
Source: RSC - Phys. Chem. Chem. Phys. latest articles - July 9, 2018 Category: Chemistry Authors: Zhuang Liang Source Type: research

Effects of Intramolecular Hydrogen Bonding and Sterically Forced Non-coplanarity on Organic Donor/Acceptor Two-Photon-Absorbing Molecules
Phys. Chem. Chem. Phys., 2018, Accepted Manuscript DOI: 10.1039/C8CP02647E, PaperDavid J Stewart, Ramamurthi Kannan, Tod Grusenmeyer, Jacob M Artz, Stephanie L Long, Zhenning Yu, Thomas M Cooper, Joy E. Haley, Loon-Seng Tan Two photon absorption (2PA) is of great interest across many disciplines and there has been a large effort to increase the two-photon cross section ([sigma]2) via synthetic modification, especially by... The content of this RSS Feed (c) The Royal Society of Chemistry (Source: RSC - Phys. Chem. Chem. Phys. latest articles)
Source: RSC - Phys. Chem. Chem. Phys. latest articles - July 9, 2018 Category: Chemistry Authors: David J Stewart Source Type: research

Analysis of epoxy functionalized layers synthesized by plasma polymerization of allyl glycidyl ether
Phys. Chem. Chem. Phys., 2018, Accepted Manuscript DOI: 10.1039/C8CP01452C, PaperAnton Manakhov, Sarka Fukova, David Necas, Miroslav Michlicek, Sergey Ershov, Marek Elias, Maxim Visotin, Zakhar I Popov, Lenka Zajickova The deposition of epoxide groups by plasma polymerization opens new horizons for robust and quick immobilization of biomolecules on any type of substrate. However, as of now there are just... The content of this RSS Feed (c) The Royal Society of Chemistry (Source: RSC - Phys. Chem. Chem. Phys. latest articles)
Source: RSC - Phys. Chem. Chem. Phys. latest articles - July 9, 2018 Category: Chemistry Authors: Anton Manakhov Source Type: research

A theoretical insight into an isentropic strategy for enhancing magnetoelectric coupling of organic multiferroics
Phys. Chem. Chem. Phys., 2018, Accepted Manuscript DOI: 10.1039/C8CP03534B, PaperLinjie Ding, Y. Zhong The cross-coupling between magnetic and ferroelectric orders in spin-driven organic multiferroics provides a great potential for realizing multi-state logic memory. Creating strong magnetoelectric coupling around room-temperature is the key ingredient... The content of this RSS Feed (c) The Royal Society of Chemistry (Source: RSC - Phys. Chem. Chem. Phys. latest articles)
Source: RSC - Phys. Chem. Chem. Phys. latest articles - July 9, 2018 Category: Chemistry Authors: Linjie Ding Source Type: research

Work Function: A Determining Factor of the Photodegradation Rate of Methyl Orange via Hollow Octadecahedron Cu2O Crystals
Phys. Chem. Chem. Phys., 2018, Accepted Manuscript DOI: 10.1039/C8CP03670E, PaperBo Zhang, Shaowei Liao, Wenjun Wu, Hui Li, Tianrui Ren Currently, photocatalytic degradation of methyl orange by Cu2O nanocrystals with different morphologies is mainly attributed to their narrow bandgap (Eg) and highly active lattice facets. Herein, three different sizes of... The content of this RSS Feed (c) The Royal Society of Chemistry (Source: RSC - Phys. Chem. Chem. Phys. latest articles)
Source: RSC - Phys. Chem. Chem. Phys. latest articles - July 9, 2018 Category: Chemistry Authors: Bo Zhang Source Type: research

Ion mobility action spectroscopy of flavin dianions reveals deprotomer-dependent photochemistry
This article is licensed under aCreative Commons Attribution 3.0 Unported Licence.James Bull, Eduardo Carrascosa, Linda Giacomozzi, Evan Bieske, Mark H Stockett The intrinsic optical properties and photochemistry of Flavin Adenine Dinucleotide (FAD) dianions are investigated using a combination of tandem ion mobility spectrometry and action spectroscopy. Two principal isomers are observed,... The content of this RSS Feed (c) The Royal Society of Chemistry (Source: RSC - Phys. Chem. Chem. Phys. latest articles)
Source: RSC - Phys. Chem. Chem. Phys. latest articles - July 9, 2018 Category: Chemistry Authors: James Bull Source Type: research

Binding Indirect Greenhouse Gases OCS and CS2 by Nitrogen Heterocyclic Carbenes (NHCs)
Phys. Chem. Chem. Phys., 2018, Accepted Manuscript DOI: 10.1039/C8CP03217C, PaperM. Merced Montero-Campillo, Ibon Alkorta, Jose Elguero Carbon disulfide (CS2) and carbonyl sulfide (OCS) are indirect greenhouse gases that can be effectively trapped by classical, abnormal and remote nitrogen heterocyclic carbenes (NHCs), according to high level ab... The content of this RSS Feed (c) The Royal Society of Chemistry (Source: RSC - Phys. Chem. Chem. Phys. latest articles)
Source: RSC - Phys. Chem. Chem. Phys. latest articles - July 9, 2018 Category: Chemistry Authors: M. Merced Montero-Campillo Source Type: research

Probing the [small pi][rightward arrow][small pi]* photoisomerization mechanism of trans-azobenzene by multi-state ab initio on-the-fly trajectory dynamics simulation
Phys. Chem. Chem. Phys., 2018, Accepted Manuscript DOI: 10.1039/C8CP02767F, Paperchao xu, Le Yu, Feng Long Gu, Chao Yuan Zhu The global nonadiabatic switching on-the-fly trajectory surface hopping simulation at 5SA-CASSCF(6,6)/6-31G quantum level has been employed to probe photoisomerization mechanism of trans-azobenzene upon [small pi][small pi]* excitation within four coupled singlet low-lying... The content of this RSS Feed (c) The Royal Society of Chemistry (Source: RSC - Phys. Chem. Chem. Phys. latest articles)
Source: RSC - Phys. Chem. Chem. Phys. latest articles - July 9, 2018 Category: Chemistry Authors: chao xu Source Type: research

Multifunctional Nanostructured Co-doped ZnO: The Co Spatial Distribution and the Correlated Magnetic Properties
Phys. Chem. Chem. Phys., 2018, Accepted Manuscript DOI: 10.1039/C8CP02870B, PaperRafael Tomaz da Silva, Alexandre Mesquita, Angela Ortiz de Zevallos, Thalita Chiaramonte, Xavier Gratens, Valmir Antonio Chitta, Juliana M. Morbec, Gul Rahman, Victor M. García-Suárez, Antonio C. Doriguetto, Maria Ines Basso Bernardi, Hugo Bonette Bonette de Carvalho The doping process at nanoscale is one of the most active and attractive research topic in materials science and condensed-matter physics. Significant advances have been achieved in the last few... The content of this RSS Feed (c) The Royal Society of Chemist...
Source: RSC - Phys. Chem. Chem. Phys. latest articles - July 9, 2018 Category: Chemistry Authors: Rafael Tomaz da Silva Source Type: research

The stability, electronic structure, and optical absorption of boron-nitride diamondoids predicted with first-principles calculations
Phys. Chem. Chem. Phys., 2018, Advance Article DOI: 10.1039/C8CP02377H, PaperWeiwei Gao, Linda Hung, Serdar Ogut, James R. Chelikowsky The stability, electronic structure, and optical properties of six boron-nitride diamondoids are systematically studied with state-of-the-art computational methods and compared with diamondoids. 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 (Source: RSC - Phys. Chem. Chem. Phys. latest articles)
Source: RSC - Phys. Chem. Chem. Phys. latest articles - July 6, 2018 Category: Chemistry Authors: Weiwei Gao Source Type: research

Contagious degradation of a chemically active surface on the cathodes of lithium-ion batteries
Phys. Chem. Chem. Phys., 2018, Advance Article DOI: 10.1039/C8CP03537G, PaperFangtian Yu, Zhengqiu Yuan, Tao Yang, Bin Qian A new physicochemical model has been built based on the contagious degradation of the chemically active surface to study the quantitative behavior and unravel the mechanism of the decrease in the durability of lithium-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 (Source: RSC - Phys. Chem. Chem. Phys. latest articles)
Source: RSC - Phys. Chem. Chem. Phys. latest articles - July 6, 2018 Category: Chemistry Authors: Fangtian Yu Source Type: research

Coincident Modulation of Lattice and Electron Thermal Transport in MXene via Surface Functionalization
Phys. Chem. Chem. Phys., 2018, Accepted Manuscript DOI: 10.1039/C8CP02564A, PaperZhonglu Guo, Naihua Miao, Jian Zhou, Yuan Chun Pan, Zhimei Sun Efficiently modulating the thermal transport performances of materials including MXene is highly desired as heat transfer is critical in a wide range of applications. However, the design principles for MXene... The content of this RSS Feed (c) The Royal Society of Chemistry (Source: RSC - Phys. Chem. Chem. Phys. latest articles)
Source: RSC - Phys. Chem. Chem. Phys. latest articles - July 6, 2018 Category: Chemistry Authors: Zhonglu Guo Source Type: research

Scanning tunneling microscopy investigations of unoccupied surface states in two-dimensional semiconducting [small beta]-[surd radical]3[times][surd radical]3-Bi/Si(111) surface
Phys. Chem. Chem. Phys., 2018, Accepted Manuscript DOI: 10.1039/C8CP01356J, PaperGou Jian, Long Juan Kong, Wen Bin Li, Shao Xiang Sheng, Hui Li, Sheng Meng, Cheng Peng, Kehui Wu, Lan Chen Two-dimensional surface structures often host a surface state in the bulk gap, which plays a crucial role in the surface electrical transport. The diversity of in-gap surface states extends the... The content of this RSS Feed (c) The Royal Society of Chemistry (Source: RSC - Phys. Chem. Chem. Phys. latest articles)
Source: RSC - Phys. Chem. Chem. Phys. latest articles - July 6, 2018 Category: Chemistry Authors: Gou Jian Source Type: research

Insight into Enhanced Photocatalytic Activity of SrTiO3 in Presence of (Ni, V/Nb/Ta/Sb) Pair
Phys. Chem. Chem. Phys., 2018, Accepted Manuscript DOI: 10.1039/C8CP00844B, PaperBrindaban Modak, Swapan K Ghosh Increasing applications of SrTiO3 as a photocatalyst in recent times drive the development of various strategies through doping with foreign elements to improve its efficiency under sunlight. Motivated by recent... The content of this RSS Feed (c) The Royal Society of Chemistry (Source: RSC - Phys. Chem. Chem. Phys. latest articles)
Source: RSC - Phys. Chem. Chem. Phys. latest articles - July 6, 2018 Category: Chemistry Authors: Brindaban Modak Source Type: research