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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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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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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.
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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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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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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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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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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.
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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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Quantum chemical study of substituent effects on CN bond in aryl isocyanide molecules adsorbed on the Pt surface

Phys. Chem. Chem. Phys., 2020, Accepted Manuscript
DOI: 10.1039/D0CP00760A, Paper
Ben Wang, Min Gao, Kohei Uosaki, Tetsuya Taketsugu
A periodic implemented scheme of natural bond orbital (NBO) theory and normal mode analysis have been employed to investigate a chemical bond strength tendency for aryl isocyanide molecules with different...
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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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Role of divalent cation (Ba) substitution in the Li+ ion conductor LiTi2(PO4)3: a molecular dynamics study

Phys. Chem. Chem. Phys., 2020, Advance Article
DOI: 10.1039/D0CP01053G, Paper
Kartik Sau, Tamio Ikeshoji, Supriya Roy
Influence of Ba2+ ordering on cationic diffusion: (a) three-dimensional low Li+ ion diffusion using randomly substituted Ba2+, and (b) two-dimensional layered type high Li+ ion diffusion using specifically ordered substitution of Ba2+.
To cite this article before page numbers are assigned, use the DOI form of citation above.
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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...
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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




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

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




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A high-throughput targeted metabolomics method for the quantification of 104 non-polar metabolites in cholesterol, eicosanoid, and phospholipid metabolism: application in the study of a CCl4-induced liver injury mouse model

Analyst, 2020, Advance Article
DOI: 10.1039/D0AN00385A, Paper
Mengqi Jia, Zhangxiao Peng, Kaige Yang, Changqing Su, Yan Wang, Chao Yan
Experimental workflow of 104 non-polar metabolites in cholesterol, eicosanoid, and phospholipid metabolisms analysis using UPLC-QqQ-MS.
To cite this article before page numbers are assigned, use the DOI form of citation above.
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study

Kinetic study of azobenzene E/Z isomerization using ion mobility-mass spectrometry and liquid chromatography-UV detection

Analyst, 2020, Advance Article
DOI: 10.1039/D0AN00048E, Paper
Salomé Poyer, Chang Min Choi, Claire Deo, Nicolas Bogliotti, Juan Xie, Philippe Dugourd, Fabien Chirot, Jean-Yves Salpin
Liquid chromatography with UV detection and ion mobility-mass spectrometry are evaluated to study the EZ thermal back relaxation kinetics of azobenzenes.
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study

Quantitative toxicological study of dose-dependent arsenic-induced cells via synchrotron-based STXM and FTIR measurement

Analyst, 2020, Accepted Manuscript
DOI: 10.1039/D0AN00346H, Paper
Huiqiang Liu, Junshan Xiu, Yunyan Liu, Bengyi Wang, Yanling Xue, Min Chen, Te Ji
Inorganic arsenic (iAs) is a well-known naturally occurring metalloid with abundant hazards in our environment, especially being a human carcinogen through arsenic contaminated drinking water. The iAs-related contamination is usually...
The content of this RSS Feed (c) The Royal Society of Chemistry




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[ASAP] Discovery and Structure–Activity Relationship Study of (<italic toggle="yes">Z</italic>)-5-Methylenethiazolidin-4-one Derivatives as Potent and Selective Pan-phosphatidylinositol 5-Phosphate 4-Kinase Inhibitors

Journal of Medicinal Chemistry
DOI: 10.1021/acs.jmedchem.0c00227




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[ASAP] Design, Synthesis, and Mechanism Study of Benzenesulfonamide-Containing Phenylalanine Derivatives as Novel HIV-1 Capsid Inhibitors with Improved Antiviral Activities

Journal of Medicinal Chemistry
DOI: 10.1021/acs.jmedchem.0c00015




study

Student Government handing out study supplies

Student Government will have a table next to the Library West Circulation Desk on September 22. They are handing out free study supplies such as pencils, pens, postit notes and highlighters.




study

Studying foreign policy comparatively: cases and analysis / Laura Neack, Miami University

Dewey Library - JZ1305.N424 2018




study

International relations: a self-study guide to theory / Manuela Spindler

Online Resource




study

Wag the dog: a study on film and reality in the digital age / Eleftheria Thanouli

Online Resource




study

The Muslim world in post - 9/11 American cinema: a critical study, 2001-2011 / Kerem Bayraktaroğlu

Hayden Library - PN1995.9.I697 B39 2018




study

Researching virtual worlds : methodologies for studying emergent practices / edited by Ursula Plesner and Louise Phillips




study

God and other minds : a study of the rational justification of belief in God / by Alvin Plantinga

Plantinga, Alvin, author




study

Nature, contemplation, and the one : a study in the philosophy of Plotinus / John N. Deck

Deck, John N., author




study

Critical thinking : your guide to effective argument, successful analysis & independent study / Tom Chatfield

Chatfield, Tom, 1980- author




study

Multigenerational approaches to fostering children's health and well-being: the opioid crisis as a case study ; proceedings of a workshop / Megan Snair, rapporteur ; Forum for Children's Well-Being: Promoting Cognitive, Affective, and Behavioral H

Online Resource




study

Foundations of the theory of parthood: A Study of Mereology / Andrzej Pietruszczak

Online Resource




study

Can different cultures think the same thoughts?: a comparative study in metaphysics and ethics / Kenneth Dorter

Hayden Library - BD111.D67 2018




study

Experimental philosophy: a critical study / Nikil Mukerji

Dewey Library - B52.M8513 2019




study

The reaction pathway of CO2RR to low-carbon alcohols: a theoretical study

New J. Chem., 2020, Accepted Manuscript
DOI: 10.1039/D0NJ01265C, Paper
Anmin Liu, Weixin Guan, Qian Cao, Xuefeng Ren, Liguo Gao, Qidong Zhao, Tingli Ma
Catalytic hydrogenation of CO2 to chemicals is an important approach for reducing the concentration of CO2 in the atmosphere. Among all value-added chemicals, alcohol can be considered one of the...
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A first-principles study of the substitutional doping of MgCl2 monolayer for spintronics applications

New J. Chem., 2020, Accepted Manuscript
DOI: 10.1039/D0NJ01264E, Paper
Igo Torres Lima, Railson Vasconcelos, Ricardo Gargano, Edson Nunes Costa Paura
Based on first-principles calculations, we studied the functionalization of MgCl2 monolayer with nonmetal (NM) and transition-metal (TM) atoms. Our results indicate that energetically it is more favorable to create a...
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Unraveling the helianane family: a complementary quantum mechanical study

New J. Chem., 2020, Advance Article
DOI: 10.1039/D0NJ01396J, Paper
Lucas H. Martorano, Alessandra L. Valverde, Carlos Magno R. Ribeiro, Ana Carolina F. de Albuquerque, José Walkimar de M. Carneiro, Rodolfo G. Fiorot, Fernando M. dos Santos Junior
Comprehensive work suggesting the amendment of helianane to the open ring curcudiol by means of computational spectroscopy and thermodynamic reasons.
To cite this article before page numbers are assigned, use the DOI form of citation above.
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study

Benchmarking the inversion barriers in σ3λ3-phosphorus compounds: a computational study

New J. Chem., 2020, Accepted Manuscript
DOI: 10.1039/D0NJ01237H, Paper
Arturo Espinosa Ferao, Antonio García Alcaraz
The study of inversion barriers for ninety-four P(III)-containing compounds has been carried out using DFT calculations. Most of these compounds display a typical vertex (“umbrella”) transition state (TS) structure, whereas...
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study

New Study of Program for Noncustodial Parents Reveals Large Effect on Parents’ Level of Satisfaction with Child Support Services

Parents who participated in the Child Support Noncustodial Parent Employment Demonstration (CSPED) reported substantially higher levels of satisfaction with child support services compared with those who did not participate in the program.




study

Support for Data-Driven Instruction Comes Up Short in New Study

Although most school districts help teachers use data to improve student learning, a new Mathematica study shows that providing schools with data coaches and professional development to support their efforts did not result in increased data use by teachers.




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ACF Seeks Comments on Performance Measures Used in a Mathematica-Conducted Study

The Administration for Children and Families (ACF) seeks comments on performance measures used for the Healthy Marriage and Responsible Fatherhood (HMRF) grant program.




study

Contemporary destination governance : a case study approach / editors, Harald Pechlaner, Pietro Beritelli, Sabine Pichler, Mike Peters, Noel Scott




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The discourse of tourism and national heritage : a contrastive study from a cultural perspective / by Claudia Elena Stoian

Stoian, Claudia Elena, author




study

Addressing regulatory gaps in relation to the environmental issues arising from offshore oil and gas activities in the Arctic : case study of Norway and Russia / Joanna Grigorjeva

Grigorjeva, Joanna, author




study

Core tax legislation & study guide / Stephen Barkoczy

Barkoczy, Stephen, author




study

Rioting and arson in Saharanpur caused Rs 244 crore loss: Study



  • DO NOT USE Uttar Pradesh
  • India

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Mass cytometric study on the heterogeneity in cellular association and cytotoxicity of silver nanoparticles in primary human immune cells

Environ. Sci.: Nano, 2020, 7,1102-1114
DOI: 10.1039/C9EN01104H, Paper
My Kieu Ha, Jang-Sik Choi, Sook Jin Kwon, Jaewoo Song, Yangsoon Lee, Young-Eun Kim, Tae Hyun Yoon
Between-population and within-population heterogeneity in the uptake and toxicity of silver nanoparticles in primary human immune cells revealed by mass cytometry.
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Existence of untypical halogen-involving interactions in crystal packings: a statistical and first-principles study

CrystEngComm, 2020, 22,2756-2765
DOI: 10.1039/C9CE01885A, Paper
Yaser Balmohammadi, Hamid Reza Khavasi, S. Shahab Naghavi
There is a common perception by the scientific community that a halogen-involving interaction forms when the distance between the donor atom and the acceptor atom is less than the sum of their van der Waals (vdW) radii.
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Study of the versatility of CuBTC@IL-derived materials for heterogeneous catalysis

CrystEngComm, 2020, 22,2904-2913
DOI: 10.1039/C9CE01157A, Paper
Edurne S. Larrea, Roberto Fernández de Luis, Arkaitz Fidalgo-Marijuan, Eva M. Maya, Marta Iglesias, Maria I. Arriortua
The versatility of CuBTC (HKUST-1) MOF materials to be functionalized to improve their catalytic activity performance was evaluated. CuBTC@IL catalysts are selective for the cycloaddition of CO2 to epoxides, giving rise to value-added products.
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Diminishing accessibility of electrophilic nickel(II) centres due to incorporation of a methylene spacer in the pendant side arm of a series of heterotrinuclear nickel(II)/sodium complexes: a DFT study using a homodesmotic equation

CrystEngComm, 2020, 22,2970-2977
DOI: 10.1039/D0CE00251H, Paper
Prasanata Kumar Bhaumik, Abhisek Banerjee, Tamal Dutta, Sudipta Chatterjee, Antonio Frontera, Shouvik Chattopadhyay
The ethoxy groups have a dual effect in hindering the attack of the pseudo-halides on the nickel(II) centre and also in stabilizing the complex by intra-molecular interactions.
The content of this RSS Feed (c) The Royal Society of Chemistry