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[ASAP] High Resolution GC-Orbitrap-MS Metabolomics Using Both Electron Ionization and Chemical Ionization for Analysis of Human Plasma

Journal of Proteome Research
DOI: 10.1021/acs.jproteome.9b00774




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[ASAP] Accelerated Protein Biomarker Discovery from FFPE Tissue Samples Using Single-Shot, Short Gradient Microflow SWATH MS

Journal of Proteome Research
DOI: 10.1021/acs.jproteome.9b00671




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[ASAP] Parallel Notched Gas-Phase Enrichment for Improved Proteome Identification and Quantification with Fast Spectral Acquisition Rates

Journal of Proteome Research
DOI: 10.1021/acs.jproteome.9b00715




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[ASAP] HILIC–MRM–MS for Linkage-Specific Separation of Sialylated Glycopeptides to Quantify Prostate-Specific Antigen Proteoforms

Journal of Proteome Research
DOI: 10.1021/acs.jproteome.0c00050




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[ASAP] lipidr: A Software Tool for Data Mining and Analysis of Lipidomics Datasets

Journal of Proteome Research
DOI: 10.1021/acs.jproteome.0c00082




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[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




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[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




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[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




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[ASAP] Optimization of Synovial Fluid Collection and Processing for NMR Metabolomics and LC-MS/MS Proteomics

Journal of Proteome Research
DOI: 10.1021/acs.jproteome.0c00035




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

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




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[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




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[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




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[ASAP] Quality Control and Outlier Detection of Targeted Mass Spectrometry Data from Multiplex Protein Panels

Journal of Proteome Research
DOI: 10.1021/acs.jproteome.9b00854




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

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




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[ASAP] Revealing Dynamic Protein Acetylation across Subcellular Compartments

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




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[ASAP] Improved Integrated Whole Proteomic and Phosphoproteomic Profiles of Severe Acute Pancreatitis

Journal of Proteome Research
DOI: 10.1021/acs.jproteome.0c00229




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

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




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[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




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[ASAP] Upregulation of TDRD1 Promotes the Sexual Maturation in Allotetraploids Hybridized from Red Crucian Carp (<italic toggle="yes">Carassius auratus</italic> Red var) (?) and Common Carp (<italic toggle="yes">Cypri

Journal of Proteome Research
DOI: 10.1021/acs.jproteome.0c00008




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[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




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[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




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[ASAP] Dried Blood Spot-Based Metabolomic Profiling in Adults with Cystic Fibrosis

Journal of Proteome Research
DOI: 10.1021/acs.jproteome.0c00031




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[ASAP] Comparative Glycomic Analysis of Exosome Subpopulations Derived from Pancreatic Cancer Cell Lines

Journal of Proteome Research
DOI: 10.1021/acs.jproteome.0c00200




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[ASAP] Physiological Tau Interactome in Brain and Its Link to Tauopathies

Journal of Proteome Research
DOI: 10.1021/acs.jproteome.0c00137




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[ASAP] Probing Protein Interaction Networks by Combining MS-Based Proteomics and Structural Data Integration

Journal of Proteome Research
DOI: 10.1021/acs.jproteome.0c00066




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

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




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

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




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[ASAP] On-Chip Sample Preparation Using a ChipFilter Coupled to NanoLC-MS/MS for Bottom-Up Proteomics

Journal of Proteome Research
DOI: 10.1021/acs.jproteome.9b00832




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[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




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

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




ap

Happy Mother’s Day 2020: Wishes, images, quotes, status, messages, cards, and photos




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Structural and thermodynamic study of Ca A- or Co B-site substituted SrFeO3−δ perovskites for low temperature chemical looping applications

Phys. Chem. Chem. Phys., 2020, 22,9272-9282
DOI: 10.1039/D0CP01049A, Paper
Open Access
Giancarlo Luongo, Felix Donat, Christoph R. Müller
Partial substitution of the A- or B-site of the perovskite SrFeO3 with Ca or Co, respectively, alters the oxygen transfer properties of the material for chemical looping applications.
The content of this RSS Feed (c) The Royal Society of Chemistry




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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




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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.
The content of this RSS Feed (c) The Royal Society of Chemistry




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The application of the MM/GBSA method in the binding pose prediction of FGFR inhibitors

Phys. Chem. Chem. Phys., 2020, 22,9656-9663
DOI: 10.1039/D0CP00831A, Paper
Yu Chen, Yongxiang Zheng, Pedro Fong, Shengjun Mao, Qiantao Wang
The correct conformation had lower MM/GBSA binding free energy in longer MD simulations for each FGFR1 inhibitor.
The content of this RSS Feed (c) The Royal Society of Chemistry




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Transforming micelles into mixed micelles: a promising approach to tune the catalytic performance of imidazolium-based surface active ionic liquids toward degradation of rhodamine B

Phys. Chem. Chem. Phys., 2020, Advance Article
DOI: 10.1039/C9CP07040K, Paper
Fayaz Ahmed Butt, Parvaiz Ahmad Bhat, Sajad Ahmad Bhat, Nusrat Rashid, Mudasir Ahmad Rather, Sarwar Ahmad Pandit, Pravin P. Ingole, Ghulam Mohammad Rather, Mohsin Ahmad Bhat
Incorporating nonionic Brij56 into cationic DDMIMCl (SAIL) micelles significantly enhances catalytic performance of SAIL toward reductive degradation of rhodamine B, a potential carcinogenic dye extensively used in multiple industrial applications.
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The content of this RSS Feed (c) The Royal Society of Chemistry




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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.
The content of this RSS Feed (c) The Royal Society of Chemistry




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A thermodynamic view on the microsolvation of ions by rare gas: application to Li+ with argon

Phys. Chem. Chem. Phys., 2020, Advance Article
DOI: 10.1039/D0CP01283A, Paper
M. N. Guimarães, M. M. de Almeida, J. M. C. Marques, F. V. Prudente
Parallel tempering Monte Carlo calculations on the Li+Arn microsolvation clusters have shown that the two peaks appearing in the heat capacity curve as a function of temperature correspond to the melting of the second and first solvation shells.
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The content of this RSS Feed (c) The Royal Society of Chemistry




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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.
The content of this RSS Feed (c) The Royal Society of Chemistry




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Multi-molar CO2 capture beyond the direct Lewis acid–base interaction mechanism

Phys. Chem. Chem. Phys., 2020, Advance Article
DOI: 10.1039/D0CP01493A, Paper
Chenchen Li, Dongmei Lu, Chao Wu
Competing with the Lewis acid-base reactions, proton transfer related interactions dominate the multi-molar CO2 capture in three typical multiple-site ILs. For ammonium-based ILs, the proton transfer process is feasible only with the help of CO2 molecule.
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Stabilisation of dianion dimers trapped inside cyanostar macrocycles

Phys. Chem. Chem. Phys., 2020, Advance Article
DOI: 10.1039/D0CP01321H, Paper
Luis Miguel Azofra, José Elguero, Ibon Alkorta
Dianion dimers trapped inside cyanostar macrocycles are supported by interanionic H-bonds, π–π stacking between confronted cyanostars, and an intricate network of multiple C(sp²)H⋯O H-bonds between the cyanostar and the anionic moieties.
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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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Kinetics of 1H-13C multiple-contact cross-polarization as a powerful tool to determine the structure and dynamics of complex materials : application to graphene oxide

Phys. Chem. Chem. Phys., 2020, Accepted Manuscript
DOI: 10.1039/D0CP00454E, Paper
Jesus Raya, Alberto Bianco, Jerome Hirschinger
Hartmann-Hahn cross-polarization (HHCP) is the most widely used solid-state NMR technique to enhance the magnetization of dilute spins from abundant spins. Furthermore, as the kinetics of CP depends on dipolar...
The content of this RSS Feed (c) The Royal Society of Chemistry




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[ASAP] C-Aryl Glycosylation: Palladium-Catalyzed Aryl–Allyl Coupling of Achmatowicz Rearrangement Products with Arylboronic Acids

The Journal of Organic Chemistry
DOI: 10.1021/acs.joc.0c00688




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[ASAP] Systematic Investigation of the Scope of Transannular C–H Heteroarylation of Cyclic Secondary Amines for Synthetic Application in Medicinal Chemistry

The Journal of Organic Chemistry
DOI: 10.1021/acs.joc.0c00870




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[ASAP] One-Pot C–H Arylation/Lactamization Cascade Reaction of Free Benzylamines

The Journal of Organic Chemistry
DOI: 10.1021/acs.joc.0c00542




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[ASAP] Construction of Dihydropyrido[2,3-<italic toggle="yes">d</italic>]pyrimidine Scaffolds via Aza-Claisen Rearrangement Catalyzed by <italic toggle="yes">N</italic>-Heterocyclic Carbenes

The Journal of Organic Chemistry
DOI: 10.1021/acs.joc.0c00657




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[ASAP] Brønsted Acid-Assisted Zinc-Catalyzed Markovnikov-Type Hydrothiolation of Alkenes Using Thiols

The Journal of Organic Chemistry
DOI: 10.1021/acs.joc.0c00487




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[ASAP] Bifunctional Phosphine Ligand-Enabled Gold(I)-Catalyzed O-Nucleophilic Addition of <italic toggle="yes">N</italic>-Hydroxybenzo[1,2,3]-triazin-4(3<italic toggle="yes">H</italic>)-ones to Alkynes Followed

The Journal of Organic Chemistry
DOI: 10.1021/acs.joc.0c00471




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[ASAP] Mechanistic Study on a BINOL–Coumarin-Based Probe for Enantioselective Fluorescent Recognition of Amino Acids

The Journal of Organic Chemistry
DOI: 10.1021/acs.joc.0c00074