s:

[ASAP] Magnetic Field-Induced Alignment of Nanofibrous Supramolecular Membranes: A Molecular Design Approach to Create Tissue-like Biomaterials

ACS Applied Materials & Interfaces
DOI: 10.1021/acsami.0c05191




s:

Copyright eService Maintenance and Updates: July 6 - 7, 2019


The eCO Registration System will be offline for system maintenance from 10:00 PM EDT Saturday, July 6, 2019 until 3:00 PM EDT on Sunday, July 7, 2019.

We thank you for your patience and we apologize for any inconvenience.

 




s:

Copyright eService Maintenance and Updates: July 19, 2019


The eCO Registration System will be offline on Friday, July 19th from 6:00 PM EDT until 11:00 PM EDT to accommodate eCO Registration System maintenance.

We thank you for your patience and we apologize for any inconvenience.

 




s:

Copyright eService Maintenance and Updates: July 27 - 28, 2019


The eCO Registration System will be offline at 6:00 PM EDT Saturday, July 27, 2019 until 6:00 AM EDT on Sunday, July 28, 2019 to accommodate Pay.gov maintenance.

We thank you for your patience and we apologize for any inconvenience.

 




s:

Copyright eService Maintenance and Updates: August 8 - 11, 2019


The eCO Registration System will be offline at 8:00 PM EDT Thursday, August 8, 2019 until 11:00 PM EDT on Sunday, August 11, 2019 for system maintenance.

We thank you for your patience and we apologize for any inconvenience.

 




s:

[ASAP] Evaluation of Tumor Interstitial Fluid-Extraction Methods for Proteome Analysis: Comparison of Biopsy Elution versus Centrifugation

Journal of Proteome Research
DOI: 10.1021/acs.jproteome.9b00770




s:

[ASAP] NETGE-PLUS: Standard and Network-Based Gene Enrichment Analysis in Human and Model Organisms

Journal of Proteome Research
DOI: 10.1021/acs.jproteome.9b00749




s:

[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




s:

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

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




s:

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




s:

The interfacial structure and dynamics in a polymer nanocomposite containing small attractive nanoparticles: a full atomistic molecular dynamics simulation study

Phys. Chem. Chem. Phys., 2020, Advance Article
DOI: 10.1039/D0CP00799D, Paper
Xiang-Meng Jia, Hu-Jun Qian, Zhong-Yuan Lu
We study the interfacial structure and dynamics of a polymer nanocomposite (PNC) composed of octaaminophenyl polyhedral oligomeric silsesquioxane (OAPS) and poly(2-vinylpyridine) (P2VP) by performing full atomistic molecular dynamics simulations.
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




s:

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




s:

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.
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




s:

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.
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




s:

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




s:

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.
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




s:

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




s:

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




s:

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.
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




s:

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.
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




s:

X-ray photoelectron spectroscopy of piperdinium ionic liquids: A comparison to the charge delocalised pyridinium analogues

Phys. Chem. Chem. Phys., 2020, Accepted Manuscript
DOI: 10.1039/D0CP01454K, Paper
Shuang Men, Peter Licence, Chi-Linh Do-Thanh, Huimin Luo, Sheng Dai
In this study, nine piperidinium-based ionic liquids are analysed by X-ray photoelectron spectroscopy. The effect of alkyl substituent length and the nature of the anion on the electronic environment of...
The content of this RSS Feed (c) The Royal Society of Chemistry




s:

Irreproducibility in the triboelectric charging of insulators: evidence of a non-monotonic charge versus contact time relationship

Phys. Chem. Chem. Phys., 2020, Accepted Manuscript
DOI: 10.1039/D0CP01317J, Paper
Jinyang Zhang, Chao Su, Fergus Rogers, N Darwish, Michelle Coote, Simone Ciampi
Here, we investigate the development and relaxation of static charges on the surface of plastic materials that are first brought in contact, and then macroscopically separated. Experimentalists dealing with the...
The content of this RSS Feed (c) The Royal Society of Chemistry




s:

Effect of zeolite morphology on separated charge states: ZSM-5-type nanocrystals, nanosheets and nanosponges

Phys. Chem. Chem. Phys., 2020, Accepted Manuscript
DOI: 10.1039/D0CP01701A, Paper
Lucie Duplouy, Alain Moissette, Matthieu Hureau, T. Jean Daou, Vincent De Waele, Isabelle Gener-Batonneau
In the present work, we investigate the electron transfers occurring in the porous void of three MFI-type zeolites (ZSM-5) nanomaterials (nanocrystals, nanosheets and nanosponges) after adsorption and photoexcitation of t-stilbene...
The content of this RSS Feed (c) The Royal Society of Chemistry




s:

The interaction of two-dimensional α- and β-phosphorus carbide with environmental molecules: a DFT study

Phys. Chem. Chem. Phys., 2020, Accepted Manuscript
DOI: 10.1039/D0CP01607A, Paper
Open Access
Andrey Kistanov, Elena Korznikova, Marko Huttula, Wei Cao
The recently fabricated two-dimensional phosphorus carbide (PC) has been proposed for application in different nanodevices such as nanoantennas and field-effect transistors. However, the effect of ambient molecules on the properties...
The content of this RSS Feed (c) The Royal Society of Chemistry




s:

Low–temperature water–gas shift reaction catalyzed by hybrid NiO@NiCr–layered double hydroxides: catalytic property, kinetics and mechanism investigation

Phys. Chem. Chem. Phys., 2020, Accepted Manuscript
DOI: 10.1039/D0CP01242D, Paper
Shengjie Xia, Tiantian Dai, Yue Meng, Xiaobo Zhou, Guoxiang Pan, Xueqiang Zhang, Zheming Ni
The realization of high efficiency water gas shift reaction (WGSR) at low temperature has always been a research hotspot and difficulty. Based on NiCr layered double hydroxides (NiCr–LDHs), a kind...
The content of this RSS Feed (c) The Royal Society of Chemistry




s:

[ASAP] Modeling the Alkaline Hydrolysis of Diaryl Sulfate Diesters: A Mechanistic Study

The Journal of Organic Chemistry
DOI: 10.1021/acs.joc.0c00441




s:

[ASAP] Synthesis of Water-Soluble Thioglycosylated <italic toggle="yes">trans</italic>-A<sub>2</sub>B<sub>2</sub> Type Porphyrins: Cellular Uptake Studies and Photodynamic Efficiency

The Journal of Organic Chemistry
DOI: 10.1021/acs.joc.9b03491




s:

[ASAP] Chiral Vanadyl(V) Complexes Enable Efficient Asymmetric Reduction of ß-Ketoamides: Application toward (<italic toggle="yes">S</italic>)-Duloxetine

The Journal of Organic Chemistry
DOI: 10.1021/acs.joc.0c00221




s:

[ASAP] Oxaazabicyclooctene Oxides, Another Type of Bridgehead Nitrones: Diastereoselective Assembly from Acetylene Gas, Ketones, and Hydroxyl Amine

The Journal of Organic Chemistry
DOI: 10.1021/acs.joc.0c00742




s:

[ASAP] Accessing Dihydro-1,2-oxazine via Cloke–Wilson-Type Annulation of Cyclopropyl Carbonyls: Application toward the Diastereoselective Synthesis of Pyrrolo[1,2-<italic toggle="yes">b</italic>][1,2]oxazine

The Journal of Organic Chemistry
DOI: 10.1021/acs.joc.0c00531




s:

[ASAP] Application of Pyridinium 1,4-Zwitterionic Thiolates: Synthesis of Benzopyridothiazepines and Benzothiophenes

The Journal of Organic Chemistry
DOI: 10.1021/acs.joc.0c00374




s:

[ASAP] a-Imino Iridium Carbenes from Imidoyl Sulfoxonium Ylides: Application in the One-Step Synthesis of Indoles

The Journal of Organic Chemistry
DOI: 10.1021/acs.joc.0c00833




s:

[ASAP] Palladium-Catalyzed Cascade Cyclization/Dearomatization/Arylation of Alkyne-Containing Phenol-Based Biaryls with Aryl Halides: An Entry to Diversely Functionalized Spirocyclohexadienones

The Journal of Organic Chemistry
DOI: 10.1021/acs.joc.0c00710




s:

Multifunctional red carbon dots: a theranostic platform for magnetic resonance imaging and fluorescence imaging-guided chemodynamic therapy

Analyst, 2020, Advance Article
DOI: 10.1039/D0AN00267D, Paper
Wentao Wang, Qicheng Zhang, Ming Zhang, Yihan Liu, Jian Shen, Ninglin Zhou, Xiaoyuan Lu, Changhong Zhao
In recent years, carbon dots (CDs) with red-emitting wavelengths have received increasing attention in cancer therapy and imaging.
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




s:

Accelerated non-crosslinking assembly of DNA-functionalized nanoparticles in alcoholic solvents: for application in the identification of clear liquors

Analyst, 2020, 145,3229-3235
DOI: 10.1039/D0AN00029A, Paper
Luyang Wang, Guoqing Wang, Yali Shi, Lan Zhang, Ran An, Tohru Takarada, Mizuo Maeda, Xingguo Liang
Accelerated aggregation of DNA-functionalized gold nanoparticles is discovered in alcoholic solvents upon adding full-match DNA and is potentially useful for the identification of Baijiu.
The content of this RSS Feed (c) The Royal Society of Chemistry




s:

Trace manganese detection via differential pulse cathodic stripping voltammetry using disposable electrodes: additively manufactured nanographite electrochemical sensing platforms

Analyst, 2020, 145,3424-3430
DOI: 10.1039/D0AN00018C, Paper
Open Access
Diego P. Rocha, Christopher W. Foster, Rodrigo A. A. Munoz, Gary A. Buller, Edmund M. Keefe, Craig E. Banks
Additive manufacturing is a promising technology for the rapid and economical fabrication of portable electroanalytical devices.
The content of this RSS Feed (c) The Royal Society of Chemistry




s:

Driving Force to Detect Alzheimer's Disease Biomarkers: The Application Of A Thioflavine T@Er-MOF Ratiometric Fluorescent Sensor for Smart Detection of Presenilin 1, amyloid β-protein and Acetyl Choline

Analyst, 2020, Accepted Manuscript
DOI: 10.1039/D0AN00440E, Paper
Xing Ze Wang, jing du, Nannan Xiao, Yan Zhang, Ling Fei, Jed D. LaCoste, Zhuo Huang, Qian wang, Xin Rui Wang, Bin Ding
Currently, the highly sensitive detection of Alzheimer's Disease (AD) biomarkers, namely presenilin 1, amyloid β-protein (Aβ), and acetylcholine (ACh), are vital to helping us prevent and diagnose AD. In this...
The content of this RSS Feed (c) The Royal Society of Chemistry




s:

Scientific workflow managers in metabolomics: an overview

Analyst, 2020, Advance Article
DOI: 10.1039/D0AN00272K, Critical Review
Aswin Verhoeven, Martin Giera, Oleg A. Mayboroda
Metabolomics workflows for data processing reproducibility and accelerated clinical deployment.
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




s:

[ASAP] MAPPS: A Web-Based Tool for Metabolic Pathway Prediction and Network Analysis in the Postgenomic Era

ACS Synthetic Biology
DOI: 10.1021/acssynbio.9b00397




s:

[ASAP] Imidazo[1,2-<italic toggle="yes">a</italic>]pyridine Derivatives as Aldehyde Dehydrogenase Inhibitors: Novel Chemotypes to Target Glioblastoma Stem Cells

Journal of Medicinal Chemistry
DOI: 10.1021/acs.jmedchem.9b01910




s:

[ASAP] Discovery of Orally Bioavailable Chromone Derivatives as Potent and Selective BRD4 Inhibitors: Scaffold Hopping, Optimization, and Pharmacological Evaluation

Journal of Medicinal Chemistry
DOI: 10.1021/acs.jmedchem.0c00035




s:

[ASAP] Structure-Based Design of Highly Potent HIV-1 Protease Inhibitors Containing New Tricyclic Ring P2-Ligands: Design, Synthesis, Biological, and X-ray Structural Studies

Journal of Medicinal Chemistry
DOI: 10.1021/acs.jmedchem.0c00202




s:

[ASAP] Triazolo-Peptidomimetics: Novel Radiolabeled Minigastrin Analogs for Improved Tumor Targeting

Journal of Medicinal Chemistry
DOI: 10.1021/acs.jmedchem.9b01936




s:

[ASAP] Dual-Target Inhibitors Based on HDACs: Novel Antitumor Agents for Cancer Therapy

Journal of Medicinal Chemistry
DOI: 10.1021/acs.jmedchem.0c00491




s:

[ASAP] Progress in the Field of Aldehyde Dehydrogenase Inhibitors: Novel Imidazo[1,2-<italic toggle="yes">a</italic>]pyridines against the 1A Family

ACS Medicinal Chemistry Letters
DOI: 10.1021/acsmedchemlett.9b00686




s:

[ASAP] Glycans Meet Sphingolipids: Structure-Based Design of Glycan Containing Analogues of a Sphingosine Kinase Inhibitor

ACS Medicinal Chemistry Letters
DOI: 10.1021/acsmedchemlett.9b00665




s:

[ASAP] PROTAC Compounds Targeting a-Synuclein Protein for Treating Neurogenerative Disorders: Alzheimer’s and Parkinson’s Diseases

ACS Medicinal Chemistry Letters
DOI: 10.1021/acsmedchemlett.0c00192




s:

[ASAP] Substituted Azabicyclo[2.2.1]heptanes as Selective Orexin-1 Antagonists: Discovery of JNJ-54717793

ACS Medicinal Chemistry Letters
DOI: 10.1021/acsmedchemlett.0c00085




s:

[ASAP] De-risking Drug Discovery of Intracellular Targeting Peptides: Screening Strategies to Eliminate False-Positive Hits

ACS Medicinal Chemistry Letters
DOI: 10.1021/acsmedchemlett.0c00022




s:

Legacy of the masters: painting and calligraphy of the Islamic world from the Shavleyan family collection / Will Kwiatkowski ; with contributions by John Seyller

Rotch Library - N6260.K87 2019