en

[ASAP] Metabolomic Profiling of the Synergistic Effects of Ginsenoside Rg1 in Combination with Neural Stem Cell Transplantation in Ischemic Stroke Rats

Journal of Proteome Research
DOI: 10.1021/acs.jproteome.9b00639




en

[ASAP] A Dual Workflow to Improve the Proteomic Coverage in Plasma Using Data-Independent Acquisition-MS

Journal of Proteome Research
DOI: 10.1021/acs.jproteome.9b00607




en

[ASAP] The Development of RNA-KISS, a Mammalian Three-Hybrid Method to Detect RNA–Protein Interactions in Living Mammalian Cells

Journal of Proteome Research
DOI: 10.1021/acs.jproteome.0c00068




en

[ASAP] Identification of Putative Early Atherosclerosis Biomarkers by Unsupervised Deconvolution of Heterogeneous Vascular Proteomes

Journal of Proteome Research
DOI: 10.1021/acs.jproteome.0c00118




en

[ASAP] Metabolomics and Lipidomics Profiling in Asymptomatic Severe Intracranial Arterial Stenosis: Results from a Population-Based Study

Journal of Proteome Research
DOI: 10.1021/acs.jproteome.9b00644




en

[ASAP] Metabolomic Profiling of the Aqueous Humor in Patients with Wet Age-Related Macular Degeneration Using UHPLC–MS/MS

Journal of Proteome Research
DOI: 10.1021/acs.jproteome.0c00036




en

[ASAP] Quantitative Proteomics Reveals Docosahexaenoic Acid-Mediated Neuroprotective Effects in Lipopolysaccharide-Stimulated Microglial Cells

Journal of Proteome Research
DOI: 10.1021/acs.jproteome.9b00792




en

[ASAP] Revealing Dynamic Protein Acetylation across Subcellular Compartments

Journal of Proteome Research
DOI: 10.1021/acs.jproteome.0c00088




en

[ASAP] Characterization of Urinary Exosomes Purified with Size Exclusion Chromatography and Ultracentrifugation

Journal of Proteome Research
DOI: 10.1021/acs.jproteome.9b00693




en

[ASAP] SWATH-MS Analysis of FFPE Tissues Identifies Stathmin as a Potential Marker of Endometrial Cancer in Patients Exposed to Tamoxifen

Journal of Proteome Research
DOI: 10.1021/acs.jproteome.0c00064




en

[ASAP] Improved Prediction of MHC II Antigen Presentation through Integration and Motif Deconvolution of Mass Spectrometry MHC Eluted Ligand Data

Journal of Proteome Research
DOI: 10.1021/acs.jproteome.9b00874




en

[ASAP] His-Tagged Peptidiscs Enable Affinity Purification of the Membrane Proteome for Downstream Mass Spectrometry Analysis

Journal of Proteome Research
DOI: 10.1021/acs.jproteome.0c00022




en

[ASAP] Complementary Methods for de Novo Monoclonal Antibody Sequencing to Achieve Complete Sequence Coverage

Journal of Proteome Research
DOI: 10.1021/acs.jproteome.0c00223




en

[ASAP] Crystal-C: A Computational Tool for Refinement of Open Search Results

Journal of Proteome Research
DOI: 10.1021/acs.jproteome.0c00119




en

[ASAP] Phosphoproteomics Analysis Reveals a Potential Role of CHK1 in Regulation of Innate Immunity through IRF3

Journal of Proteome Research
DOI: 10.1021/acs.jproteome.9b00829




en

[ASAP] BayesENproteomics: Bayesian Elastic Nets for Quantification of Peptidoforms in Complex Samples

Journal of Proteome Research
DOI: 10.1021/acs.jproteome.9b00468




en

Bollywood pix to brighten up your day!

Bollywood stars have been posting stunning pictures during this lockdown.




en

Two-dimensional few-layered PC3 as a promising photocatalyst for overall water splitting

Phys. Chem. Chem. Phys., 2020, 22,9477-9486
DOI: 10.1039/D0CP01392G, Paper
Hui Yao, Qiang Wang, Jianwei Li, Weishan Cai, Yadong Wei, Bin Wang, Jian Wang
A schematic structure and strain related photocatalytic properties at different pH values for the AA pattern of bilayered PC3.
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en

Theoretical study of the mechanism behind the site- and enantio-selectivity of C–H functionalization catalysed by chiral dirhodium catalyst

Phys. Chem. Chem. Phys., 2020, 22,9561-9572
DOI: 10.1039/D0CP00249F, Paper
Meijuan Zhou, Michael Springborg
A detailed mechanism for the high site- and enantio-selectivity of C–H bond functionalization when using a chiral dirhodium catalyst is presented.
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en

Catalytic properties of α-MnO2 for Li–air battery cathodes: a density functional investigation

Phys. Chem. Chem. Phys., 2020, 22,9233-9239
DOI: 10.1039/C9CP06081B, Paper
Khorsed Alam, Nicola Seriani, Prasenjit Sen
Details of the formation and dissociation of the first layer of Li2O2 on the α-MnO2(100) surface as the cathode in Li–air batteries have been studied using first principles density functional theory.
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en

Phase separation in pore-spanning membranes induced by differences in surface adhesion

Phys. Chem. Chem. Phys., 2020, 22,9308-9315
DOI: 10.1039/D0CP00335B, Paper
Open Access
Jeremias Sibold, Vera E. Tewaag, Thomas Vagedes, Ingo Mey, Claudia Steinem
A porous scaffold providing different adhesion energies alters the behaviour of coexisting phases in lipid membranes considerably.
The content of this RSS Feed (c) The Royal Society of Chemistry




en

Study of the surface species during thermal and plasma-enhanced atomic layer deposition of titanium oxide films using in situ IR-spectroscopy and in vacuo X-ray photoelectron spectroscopy

Phys. Chem. Chem. Phys., 2020, 22,9262-9271
DOI: 10.1039/D0CP00395F, Paper
Sofie S. T. Vandenbroucke, Elisabeth Levrau, Matthias M. Minjauw, Michiel Van Daele, Eduardo Solano, Rita Vos, Jolien Dendooven, Christophe Detavernier
By the powerful combination of in situ FTIR and in vacuo XPS, the surface species during ALD of TDMAT with different reactants could be identified.
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en

Phosphorylation-dependent conformational changes of arrestin in the rhodopsin–arrestin complex

Phys. Chem. Chem. Phys., 2020, 22,9330-9338
DOI: 10.1039/D0CP00473A, Paper
Dali Wang, Xiangdong Liu, Jianqiang Liu, Chen Song
Conformations of GPCR-bound arrestin depend on the phosphorylation patterns of the GPCR C-loop.
The content of this RSS Feed (c) The Royal Society of Chemistry




en

Feed gas exchange (startup/shutdown) effects on Pt/C cathode electrocatalysis and surface Pt-oxide behavior in polymer electrolyte fuel cells as revealed using in situ real-time XAFS and high-resolution STEM measurements

Phys. Chem. Chem. Phys., 2020, 22,9424-9437
DOI: 10.1039/C9CP06895C, Paper
Gabor Samjeské, Takuma Kaneko, Takao Gunji, Kotaro Higashi, Tomoya Uruga, Mizuki Tada, Yasuhiro Iwasawa
Feed gas exchange (startup/shutdown) effects on Pt/C electrocatalysis and surface Pt-oxide behavior in PEFC were investigated by in situ real-time XAFS, synchronized with CV, and high-resolution STEM for the first time.
The content of this RSS Feed (c) The Royal Society of Chemistry




en

Photonic crystal enhancement of Raman scattering

Phys. Chem. Chem. Phys., 2020, 22,9630-9636
DOI: 10.1039/D0CP00781A, Paper
Matin Ashurov, Alexander Baranchikov, Sergey Klimonsky
Inverse opal films impregnated with a methylene blue dye were prepared by a template route. Photonic stop band governs amplitude of spontaneous Raman scattering peaks for metal-free photonic crystals, enhancement factor being over 50.
The content of this RSS Feed (c) The Royal Society of Chemistry




en

A multiporous carbon family with superior stability, tunable electronic structures and amazing hydrogen storage capability

Phys. Chem. Chem. Phys., 2020, 22,9734-9739
DOI: 10.1039/D0CP00469C, Paper
Lianfang Xie, Zheng Wang, Xuechun Xu, Yingxiang Cai
The traditional view that natural allotropes are more stable than artificially synthesized structures is broken.
The content of this RSS Feed (c) The Royal Society of Chemistry




en

N-Promoted Ru1/TiO2 single-atom catalysts for photocatalytic water splitting for hydrogen production: a density functional theory study

Phys. Chem. Chem. Phys., 2020, Advance Article
DOI: 10.1039/D0CP00929F, Paper
Zhibo Luo, Zhijie Wang, Jia Li, Kang Yang, Gang Zhou
In our Ru1–N1/TiO2 single-atom catalyst system, isolated Ru1 atoms act as active sites for the reduction of protons, and the TiO2 support offers the photogenerated carriers, allowing for a hydrogen evolution activity comparable to that of Pd.
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en

Selective host–guest chemistry, self-assembly and conformational preferences of m-xylene macrocycles probed by ion-mobility spectrometry mass spectrometry

Phys. Chem. Chem. Phys., 2020, 22,9290-9300
DOI: 10.1039/C9CP06938K, Paper
Benjamin A. Link, Ammon J. Sindt, Linda S. Shimizu, Thanh D. Do
Ion-mobility spectrometry mass spectrometry successfully captures selective host–guest chemistry of m-xylene macrocycles; notably, a tetrahedral, dimeric Zn complex.
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en

Experimental observation of nanophase segregation in aqueous salt solutions around the predicted liquid–liquid transition in water

Phys. Chem. Chem. Phys., 2020, 22,9438-9447
DOI: 10.1039/C9CP06082K, Paper
Open Access
  This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.
Paul D. Lane, Judith Reichenbach, Andrew J. Farrell, Lennart A. I. Ramakers, Katrin Adamczyk, Neil T. Hunt, Klaas Wynne
Using ultrafast spectroscopy to determine temperature-dependent structuring of water, solvation of ions and the size of phase segregated domains.
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en

Effects of non-halogenated solvent on the main properties of a solution-processed polymeric thin film for photovoltaic applications: a computational study

Phys. Chem. Chem. Phys., 2020, 22,9693-9702
DOI: 10.1039/D0CP01303J, Paper
Karlisson Rodrigo de Almeida Sousa, Leandro Benatto, Luana Wouk, Lucimara Stolz Roman, Marlus Koehler
Our nano-scale simulations of polymeric films processed with different solvents reveal important details of morphological and electrical changes important for OPV applications.
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en

Monolayer Bi2Se3−xTex: novel two-dimensional semiconductors with excellent stability and high electron mobility

Phys. Chem. Chem. Phys., 2020, 22,9685-9692
DOI: 10.1039/D0CP00729C, Paper
Yifan Liu, Yuanfeng Xu, Yanju Ji, Hao Zhang
The bandgaps for monolayers Bi2Se3, Bi2Se2Te and Bi2SeTe2 decrease under moderate strains ranging from −4% to 10%, and the predicted electron mobilities are high, reaching 2708 cm2 V−1 s−1 for Bi2SeTe2.
The content of this RSS Feed (c) The Royal Society of Chemistry




en

Interaction of imidazolium-based lipids with phospholipid bilayer membranes of different complexity

Phys. Chem. Chem. Phys., 2020, 22,9775-9788
DOI: 10.1039/D0CP00801J, Paper
Open Access
  This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.
Steffen Bornemann, Marius Herzog, Lena Roling, Tiffany O. Paulisch, Dörte Brandis, Simon Kriegler, Hans-Joachim Galla, Frank Glorius, Roland Winter
Depending on the chain length and headgroup structure, alkylated imidazolium salts affect the fluidity, lateral organization and morphology of lipid vesicles to various extents.
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en

Composition, crystallography, and oxygen vacancy ordering impacts on the oxygen ion conductivity of lanthanum strontium ferrite

Phys. Chem. Chem. Phys., 2020, 22,9723-9733
DOI: 10.1039/D0CP00206B, Paper
Tridip Das, Jason D. Nicholas, Yue Qi
The oxygen conductivity map for LSF illustrates the impact of aliovalent doping, crystal structure, and oxygen vacancy interactions on conductivity.
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en

Appraising spin-state energetics in transition metal complexes using double-hybrid models: accountability of SOS0-PBESCAN0-2(a) as a promising paradigm

Phys. Chem. Chem. Phys., 2020, 22,9388-9404
DOI: 10.1039/D0CP00807A, Paper
Mojtaba Alipour, Tahereh Izadkhast
Through a comprehensive survey, reliable double-hybrid models have been validated and proposed for spin-state energetics in transition metal complexes.
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en

Different submicellar solubilization mechanisms revealed by 1H NMR and 2D diffusion ordered spectroscopy (DOSY)

Phys. Chem. Chem. Phys., 2020, Advance Article
DOI: 10.1039/D0CP00429D, Paper
Mengjian Wu, Zhaoxia Wu, Shangwu Ding, Zhong Chen, Xiaohong Cui
Different submicellar solubilization mechanisms of two systems, Triton X-100/tetradecane and sodium dodecyl sulfate (SDS)/butyl methacrylate, are revealed on the molecular scale by 1H NMR spectroscopy and 2D diffusion ordered spectroscopy (DOSY).
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en

Functionalization of two-dimensional 1T'-ReS2 with surface ligands for use as a photocatalyst in the hydrogen evolution reaction: a first-principles calculation study

Phys. Chem. Chem. Phys., 2020, 22,9415-9423
DOI: 10.1039/D0CP01016B, Paper
Jing Pan, Wannian Zhang, Xiaoyong Xu, Jingguo Hu
Surface functionalization with polar ligands to tune band edges of two-dimensional 1T'-ReS2 and enhance its photocatalytic activity for hydrogen production.
The content of this RSS Feed (c) The Royal Society of Chemistry




en

Identifying the role of excess electrons and holes for initiating the photocatalytic dissociation of methanol on a TiO2(110) surface

Phys. Chem. Chem. Phys., 2020, Advance Article
DOI: 10.1039/D0CP00332H, Paper
Fengdu Yu, Ziyu Hu
As a prototype for the catalytic oxidation of organic contaminants, photocatalytic methanol dissociation on rutile TiO2(110) has drawn much attention, but its reaction mechanism remains elusive.
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en

Structural characterization of molybdenum–dinitrogen complex as key species toward ammonia formation by dispersive XAFS spectroscopy

Phys. Chem. Chem. Phys., 2020, Advance Article
DOI: 10.1039/C9CP06761B, Communication
Akira Yamamoto, Kazuya Arashiba, Shimpei Naniwa, Kazuo Kato, Hiromasa Tanaka, Kazunari Yoshizawa, Yoshiaki Nishibayashi, Hisao Yoshida
Dispersive XAFS (DXAFS) was used for the structural characterization of a hardly-isolatable molybdenum–dinitrogen complex bearing a PNP-type pincer ligand.
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en

Decoding the molecular water structure at complex interfaces through surface-specific spectroscopy of the water bending mode

Phys. Chem. Chem. Phys., 2020, Advance Article
DOI: 10.1039/D0CP01269F, Paper
Open Access
  This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.
Takakazu Seki, Chun-Chieh Yu, Xiaoqing Yu, Tatsuhiko Ohto, Shumei Sun, Konrad Meister, Ellen H. G. Backus, Mischa Bonn, Yuki Nagata
The water bending mode vibrational spectroscopy provides a new avenue for unveiling the hydrogen bonding structure of interfacial water at complex aqueous interfaces such as solid–water and bio–water interfaces.
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en

Generalised magnetisation-to-singlet-order transfer in nuclear magnetic resonance

Phys. Chem. Chem. Phys., 2020, 22,9703-9712
DOI: 10.1039/D0CP00935K, Paper
Open Access
  This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.
Christian Bengs, Mohamed Sabba, Alexej Jerschow, Malcolm H. Levitt
A variety of pulse sequences have been described for converting nuclear spin magnetisation into long-lived singlet order for nuclear spin-1/2 pairs.
The content of this RSS Feed (c) The Royal Society of Chemistry




en

The excited-state relaxation mechanism of potential UVA-activated phototherapeutic molecules: trajectory surface hopping simulations of both 4-thiothymine and 2,4-dithiothymine

Phys. Chem. Chem. Phys., 2020, Advance Article
DOI: 10.1039/D0CP01450H, Paper
Jun Cao, Dong-chu Chen
Both molecules share energetically accessible crossing pathways, but have differences in atomic details during excited state relaxation.
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en

Comment on “Pressure enhancement in carbon nanopores: a major confinement effect” by Y. Long, J. C. Palmer, B. Coasne, M. Śliwinska-Bartkowiak and K. E. Gubbins, Phys. Chem. Chem. Phys., 2011, 13, 17163

Phys. Chem. Chem. Phys., 2020, 22,9824-9825
DOI: 10.1039/C9CP02890K, Comment
David van Dijk
A standard thermodynamic interpretation unambiguously explains the observed properties of fluids confined in pores, while a “pressure enhancement” effect emerges only from calculations in which particular choices are selected from an arbitrary set.
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en

Reply to the ‘Comment on “Pressure enhancement in carbon nanopores: a major confinement effect”’ by D. van Dijk, Phys. Chem. Chem. Phys., 2020, 22, DOI: 10.1039/C9CP02890K

Phys. Chem. Chem. Phys., 2020, 22,9826-9830
DOI: 10.1039/C9CP04289J, Comment
Yun Long, Jeremy C. Palmer, Benoit Coasne, Kaihang Shi, Małgorzata Śliwińska-Bartkowiak, Keith E. Gubbins
By calculating the unique effective tangential pressure and discussing recent evidence from experiment and simulations, we show that the high pressure and strong compression in adsorbed layers for wetting systems on carbon are significant.
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en

Substrate water exchange in the S2 state of photosystem II is dependent on the conformation of the Mn4Ca cluster

Phys. Chem. Chem. Phys., 2020, Advance Article
DOI: 10.1039/D0CP01380C, Paper
Open Access
  This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.
Casper de Lichtenberg, Johannes Messinger
The structural flexibility of the Mn4Ca cluster in photosystem II supports the exchange of the central O5 bridge.
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en

Gas-phase Förster resonance energy transfer in mass-selected ions with methylene or peptide linkers between two dyes: a concerted dance of charges

Phys. Chem. Chem. Phys., 2020, Advance Article
DOI: 10.1039/D0CP01287D, Paper
Christina Kjær, Ying Zhao, Mark H. Stockett, Li Chen, Klavs Hansen, Steen Brøndsted Nielsen
Emission from gaseous rhodamine 640 is redshifted when the dye is tethered to rhodamine 575 due to internal Coulomb interaction.
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en

Screening of highly charged ions in an ionic liquid; when will ion pairs form?

Phys. Chem. Chem. Phys., 2020, Advance Article
DOI: 10.1039/D0CP01228A, Paper
Open Access
  This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.
Ruth M. Lynden-Bell
The properties of pairs of doubly charged solute ions are studied as a function of their separation in the ionic liquid, dimethylimidazolium chloride ([dmim][Cl]).
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en

Template-induced Al distribution in MOR and enhanced activity in dimethyl ether carbonylation

Phys. Chem. Chem. Phys., 2020, Advance Article
DOI: 10.1039/D0CP00850H, Paper
Ying Li, Man Yu, Kai Cai, Meiyan Wang, Jing Lv, Russell F. Howe, Shouying Huang, Xinbin Ma
Template-induced Al distribution offers a strategy to improve the efficiency of DME carbonylation on H-MOR zeolite, which is a key step of ethanol production from syngas.
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Mixed uranyl and neptunyl cation–cation interaction-driven clusters: structures, energetic stability, and nuclear quadrupole interactions

Phys. Chem. Chem. Phys., 2020, Advance Article
DOI: 10.1039/D0CP01068E, Paper
Paweł Tecmer, Frank Schindler, Aleksandra Leszczyk, Katharina Boguslawski
We present a quantum-chemical study of mixed CCI clusters, their structures, energetic stability, and nuclear quadrupole interactions.
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en

C-H oxidation enhancement on gold nanoisland by atomic-undercoordination induced polarization

Phys. Chem. Chem. Phys., 2020, Accepted Manuscript
DOI: 10.1039/D0CP01117G, Paper
Zezhou Lin, Hajime Hirao, Changqing Sun, Xi Zhang
C–H activation is of great significance in chemical industry while the effective solvent-free catalyst is highly desired. This work shows that gold nanoisland which was inert in bulk is effective...
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en

Highly Efficient Energy Transfer from Water Soluble Zinc Silver Indium Sulphide Quantum Dot to Organic J-Aggregates

Phys. Chem. Chem. Phys., 2020, Accepted Manuscript
DOI: 10.1039/D0CP01845G, Paper
Naupada Preeyanka, Himani Dey, Sudipta Seth, Abdur Rahaman, Moloy Sarkar
The present work has been carried out with an aim to design and develop an efficient light harvesting inorganic-organic hybrid nanoscale material by employing less toxic, environment friendly inorganic substance...
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