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[ASAP] Phospholipid-Decorated Glycogen Nanoparticles for Stimuli-Responsive Drug Release and Synergetic Chemophotothermal Therapy of Hepatocellular Carcinoma

ACS Applied Materials & Interfaces
DOI: 10.1021/acsami.0c02785




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[ASAP] Rational Design of Ion Transport Paths at the Interface of Metal–Organic Framework Modified Solid Electrolyte

ACS Applied Materials & Interfaces
DOI: 10.1021/acsami.0c04387




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[ASAP] Response of pH-Sensitive Doxorubicin Nanoparticles on Complex Tumor Microenvironments by Tailoring Multiple Physicochemical Properties

ACS Applied Materials & Interfaces
DOI: 10.1021/acsami.0c05724




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[ASAP] Genetic Engineering-Facilitated Coassembly of Synthetic Bacterial Cells and Magnetic Nanoparticles for Efficient Heavy Metal Removal

ACS Applied Materials & Interfaces
DOI: 10.1021/acsami.0c04512




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[ASAP] Luminescent Properties of DOBDC Containing MOFs: The Role of Free Hydroxyls

ACS Applied Materials & Interfaces
DOI: 10.1021/acsami.0c02829




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[ASAP] Neuromorphic Processing of Pressure Signal Using Integrated Sensor-Synaptic Device Capable of Selective and Reversible Short- and Long-Term Plasticity Operation

ACS Applied Materials & Interfaces
DOI: 10.1021/acsami.0c03904




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[ASAP] Pyridine Bridging Diphenylamine-Carbazole with Linking Topology as Rational Hole Transporter for Perovskite Solar Cells Fabrication

ACS Applied Materials & Interfaces
DOI: 10.1021/acsami.0c03584




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[ASAP] Enhancement of Alkaline Hydrogen Oxidation Reaction of Ru–Ir Alloy Nanoparticles through Bifunctional Mechanism on Ru–Ir Pair Site

ACS Applied Materials & Interfaces
DOI: 10.1021/acsami.0c00506




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[ASAP] A Nanocomposite Vehicle Based on Metal–Organic Framework Nanoparticle Incorporated Biodegradable Microspheres for Enhanced Oral Insulin Delivery

ACS Applied Materials & Interfaces
DOI: 10.1021/acsami.0c04303




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[ASAP] Electrically Driven Artificial Muscles Using Novel Polysiloxane Elastomers Modified with Nitroaniline Push–Pull Moieties

ACS Applied Materials & Interfaces
DOI: 10.1021/acsami.0c03692




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Remembering the 1857 uprising: Portraits of resistance

On the anniversary of the 1857 revolution, a look back at how that pivotal moment in Indian history lives on in literature




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Happy Birthday TJ!

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It’s the Bard’s Birthday

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[ASAP] Evaluation of the Performance of Lipidyzer Platform and Its Application in the Lipidomics Analysis in Mouse Heart and Liver

Journal of Proteome Research
DOI: 10.1021/acs.jproteome.9b00289




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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] 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] Revealing Dynamic Protein Acetylation across Subcellular Compartments

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




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PIX: Janhvi, Katrina, Kartik light candles

Bollywood responded to Prime Minister Narendra Modi's appeal to show the nation's 'collective resolve and solidarity' in its fight against coronavirus with a symbolic gesture of lighting a lamp on Sunday night.




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PIX: Priyanka, Tiger celebrate Earth Day!

Bollywood stars continue to post pictures with lovely messages on Earth Day.




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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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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




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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.
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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.
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Origin of short- and medium-range order in supercooled liquid Ge3Sb2Te6 using ab initio molecular dynamics simulations

Phys. Chem. Chem. Phys., 2020, 22,9759-9766
DOI: 10.1039/D0CP00389A, Paper
Chong Qiao, Y. R. Guo, Songyou Wang, Yu Jia, Cai-Zhuang Wang, Kai-Ming Ho
The disordered clusters in Ge3Sb2Te6 change to ordered octahedrons by adjustment of the bond-angle relationship as the temperature decreases.
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Molecular transport in ionic liquid/nanomembrane hybrids

Phys. Chem. Chem. Phys., 2020, 22,9808-9814
DOI: 10.1039/D0CP01233E, Paper
Daniil Naberezhnyi, Petr Dementyev
Molecular transport in ultrathin membranes changes upon surface functionalization.
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Elucidating tuneable ambipolar charge transport and field induced bleaching at the CH3NH3PbI3/electrolyte interface

Phys. Chem. Chem. Phys., 2020, Advance Article
DOI: 10.1039/D0CP00682C, Paper
Priya Srivastava, Monojit Bag
Tuneable ambipolar charge transport through a perovskite/electrolyte interface is demonstrated for the first time through EIS and field induced UV-Vis spectroscopy measurements.
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Intra-octahedral distortion on lamellar potassium niobate K4Nb6O17: a periodic DFT study of structural, electronic and vibrational properties

Phys. Chem. Chem. Phys., 2020, Advance Article
DOI: 10.1039/D0CP01581D, Paper
Juliana Kelly D. Souza, Thiago M. Duarte, Iêda Maria Garcia dos Santos, Júlio Ricardo Sambrano, Ary da Silva Maia, Anderson dos Reis Albuquerque
DFT calculation applied to K4Nb6O17 allowed to identify and correlate its electronic and vibrational properties with [NbO6] intraoctahedral distortion.
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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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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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Quantifying the hygroscopic properties of cyclodextrin containing aerosol for drug delivery to the lungs

Phys. Chem. Chem. Phys., 2020, Accepted Manuscript
DOI: 10.1039/D0CP01385D, Paper
Open Access
  This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.
Calum Patrick Fred Day, Anatolij Miloserdov, Kate Wildish-Jones, Emma Pearson, Antonia Erika Carruthers
Aerosol dynamics is important to quantify in drug delivery to the lungs with the aim of delivering therapeutics to a target location and optimising drug efficacy. The macrocycle (2-hydroxypropyl)-β-cyclodextrin (2-HP-β-CD)...
The content of this RSS Feed (c) The Royal Society of Chemistry




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Model for gas-hydrate equilibrium in porous media that incorporates pore-wall properties

Phys. Chem. Chem. Phys., 2020, Advance Article
DOI: 10.1039/D0CP01263G, Paper
Yali Zhang, Patricia Taboada-Serrano
A model to predict the equilibrium conditions of gas-hydrates in porous media that incorporates sediment properties.
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Morphology–Transport Relationships for SBA-15 and KIT-6 Ordered Mesoporous Silicas

Phys. Chem. Chem. Phys., 2020, Accepted Manuscript
DOI: 10.1039/D0CP01861A, Paper
Janika Hochstrasser, Artur Svidrytski, Alexandra Höltzel, Tatiana Priamushko, Freddy Kleitz, Wu Wang, Christian Kuebel, Ulrich Tallarek
Quantitative morphology–transport relationships are derived for ordered mesoporous silicas through direct numerical simulation of hindered diffusion in realistic geometrical models of the pore space obtained from physical reconstruction by electron...
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Synthesis and Photophysics of Gold(I) Alkynyls Bearing a Benzothiazole-2,7-Fluorenyl Moiety: A Comparative Study Analyzing Influence of Ancillary Ligand, Bridging Moiety, and Number of Metal Centers on Photophysical Properties

Phys. Chem. Chem. Phys., 2020, Accepted Manuscript
DOI: 10.1039/D0CP01539C, Paper
Joseph J Mihaly, Alexis Phillips, David J Stewart, Zachary M Marsh, Christopher McCleese, Joy E. Haley, Matthias Zeller, Tod Grusenmeyer, Thomas Gray
Three new gold(I) alkynyl complexes (Au-ABTF(0-2)) containing a benzothiazole fluorenyl moiety, with either an organic phosphine or N-heterocyclic carbene as ancillary ligand, have been synthesized and photophysically characterized. All three...
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Single-Particle Study: Effects of Oxygen Plasma Treatment on Structural and Spectral Changes in Anisotropic Gold Nanorods

Phys. Chem. Chem. Phys., 2020, Accepted Manuscript
DOI: 10.1039/D0CP00996B, Communication
Geun Wan Kim, Ji Won Ha
Oxygen plasma treatment is a common method for removing the surfactant capping material from gold nanoparticles, improving their functionalization and lowering their cytotoxicity for biological studies. This single-particle study investigates...
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The mechanism and ligand effects of single atom rhodium supported on ZSM-5 for the selective oxidation of methane to methanol

Phys. Chem. Chem. Phys., 2020, Accepted Manuscript
DOI: 10.1039/D0CP01284J, Paper
Open Access
  This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.
Rhys Bunting, Jillian M. Thompson, Peijun Hu
The mechanism for the partial oxidation of methane to methanol on single atom rhodium supported on ZSM-5 is investigated by DFT. The most favoured mechanism for methane activation is shown...
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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




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Influence of alkaline-earth metal substitution on structure, electrical conductivity and oxygen transport properties of perovskite-type oxides La0.6A0.4FeO3-δ (A = Ca, Sr and Ba)

Phys. Chem. Chem. Phys., 2020, Accepted Manuscript
DOI: 10.1039/D0CP00247J, Paper
Open Access
Jia Song, De Ning, Henny J M Bouwmeester
Structural evolution, electrical conductivity, oxygen nonstoichiometry and oxygen transport properties of perovskite-type oxides La0.6A0.4FeO3-δ (A = Ca, Sr, and Ba) were investigated. La0.6Ca0.4FeO3-δ (LCF64) and La0.6Sr0.4FeO3-δ (LSF64) show a phase...
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Structural and electronic properties of CuII, CoII, and NiII-containing chelate-based ionic liquids

Phys. Chem. Chem. Phys., 2020, Advance Article
DOI: 10.1039/D0CP00024H, Paper
Chenxuan Zhao, Guodong Lu, Jia Yao, Haoran Li
The structural and electronic properties of CuII, CoII, and NiII-containing chelate-based ionic liquids have been investigated.
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Effects of Mixing between Short-chain and Branched-chain Alcohols in Protonated Clusters

Phys. Chem. Chem. Phys., 2020, Accepted Manuscript
DOI: 10.1039/D0CP01116A, Paper
Po-Jen Hsu, Takahiro Shinkai, Pei-Han Tai, Asuka Fujii, Jer-Lai Kuo
The previous analysis on the neat protonated branched-chain alcohol clusters has revealed the impact of steric repulsion and dispersion of the bulky alkyl group to the hydrogen-bonded (H-bonded) structures and...
The content of this RSS Feed (c) The Royal Society of Chemistry




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The importance of the composite mechanisms with two transition states in the F- + NH2I SN2 reaction

Phys. Chem. Chem. Phys., 2020, Accepted Manuscript
DOI: 10.1039/D0CP01942A, Communication
Yan Li, Yongfang Li, Dunyou Wang
The dynamics of the bimolecular nucleophilic substitution (SN2) reactions at nitrogen are less understood than their corresponding reactions at carbon. In this paper, we report an ab initio molecular dynamics...
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Highly-Excited State Properties of Cumulenone Chlorides in the Vacuum-Ultraviolet

Phys. Chem. Chem. Phys., 2020, Accepted Manuscript
DOI: 10.1039/D0CP01835J, Paper
Quynh L. Nguyen, William K Peters, Ryan C. Fortenberry
Recent observations of chloromethane in interstellar environments suggest that other organohalogens, which are known to be critically important in Earth's atmosphere, may also be of significance beyond our own terrestrial...
The content of this RSS Feed (c) The Royal Society of Chemistry




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[ASAP] Synthesis of Tri(4-formylphenyl) Phosphonate Derivatives as Recyclable Triple-Equivalent Supports of Peptide Synthesis

The Journal of Organic Chemistry
DOI: 10.1021/acs.joc.9b03023




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[ASAP] Further Insight into the Castagnoli–Cushman-type Synthesis of 1,4,6-Trisubstituted 1,6-Dihydropyridin-2-(3<italic toggle="yes">H</italic>)-ones from 3-Arylglutaconic Acid Anhydrides

The Journal of Organic Chemistry
DOI: 10.1021/acs.joc.0c00836




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[ASAP] Palladium-Catalyzed Synthesis of <italic toggle="yes">N</italic>,<italic toggle="yes">N-</italic>Dimethylanilines via Buchwald–Hartwig Amination of (Hetero)aryl Triflates

The Journal of Organic Chemistry
DOI: 10.1021/acs.joc.0c00491




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[ASAP] Earth-Abundant Bimetallic Nanoparticle Catalysts for Aerobic Ammoxidation of Alcohols to Nitriles

The Journal of Organic Chemistry
DOI: 10.1021/acs.joc.0c00670




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Highly sensitive endotoxin detection using a gold nanoparticle loaded layered molybdenum disulfide-polyacrylic acid nanocomposite

Analyst, 2020, Advance Article
DOI: 10.1039/D0AN00567C, Paper
Biyas Posha, N. Sandhyarani
A highly sensitive and selective endotoxin sensor is developed with a Au nanoparticle anchored MoS2-PAA nanocomposite.
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Exhaled breath condensate based breath analyser – a disposable hydrogen peroxide sensor and smart analyser

Analyst, 2020, Advance Article
DOI: 10.1039/C9AN02438G, Paper
Yu-Chih Chen, Danny O'Hare
A smart breath analyser with ultra-sensitive disposable hydrogen peroxide sensor for exhaled breath condensate based lung inflammation diagnostics.
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Combined Raman and AFM detection of changes in HeLa cervical cancer cells induced by CeO2 nanoparticles – molecular and morphological perspectives

Analyst, 2020, Advance Article
DOI: 10.1039/C9AN02518A, Paper
Mirjana Miletić, Sonja Aškrabić, Jan Rüger, Borislav Vasić, Lela Korićanac, Abdullah Saif Mondol, Jan Dellith, Jürgen Popp, Iwan W. Schie, Zorana Dohčević-Mitrović
Raman and AFM analyses represent a tool for the evaluation of cytotoxic and anti-proliferative effects in cells induced by CeO2 nanoparticles.
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Near infrared spectroscopic assessment of loosely and tightly bound cortical bone water

Analyst, 2020, Advance Article
DOI: 10.1039/C9AN02491C, Paper
Ramyasri Ailavajhala, William Querido, Chamith S. Rajapakse, Nancy Pleshko
NIR spectroscopy can differentiate water loosely bound to bone tissue, and tightly bound to either collagen or mineral.
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