Works Published in 2016
Displaying works 221 - 240 of 254 in total
Sorted by most recent date added to the index first, which may not be the same as publication date order.
2016 journal article
Tunable Excited-State Properties and Dynamics as a Function of Pt-Pt Distance in Pyrazolate-Bridged Pt(II) Dimers
JOURNAL OF PHYSICAL CHEMISTRY A, 120(4), 543–550.
Contributors: S. Brown-Xu*, M. Kelley*, K. Fransted*, A. Chakraborty n, G. Schatz *, F. Castellano n , L. Chen *
TL;DR:
The results of the femtoseconds TA experiments reveal that intersystem crossing (ISC) occurs on ultrafast time scales (τS1 < 200 fs), while there are two relaxation processes occurring within the triplet manifold, τ1 = 0.5-3.2 ps and τ2 = 20-70 ps; the longer time constants correspond to the presence of bulkier bridging ligands.
(via Semantic Scholar)
UN Sustainable Development Goal Categories
7. Affordable and Clean Energy
(Web of Science)
Sources: Web Of Science, ORCID
Added: August 6, 2018
2016 journal article
Toward Controlling the Solid State Valence Tautomeric Interconversion Character by Solvation
CRYSTAL GROWTH & DESIGN, 16(4), 2385–2393.
UN Sustainable Development Goal Categories
7. Affordable and Clean Energy
(Web of Science)
Sources: Web Of Science, ORCID
Added: August 6, 2018
2016 journal article
Thiohydroximic acids: Versatile reagents for organic synthesis
Synlett, 27(2), 181–189.
Source: NC State University Libraries
Added: August 6, 2018
2016 journal article
Thermal conductivity changes in titanium-graphene composite upon annealing
Metallurgical and Materials Transactions. A, Physical Metallurgy and Materials Science, 47A(2), 907–915.
Source: NC State University Libraries
Added: August 6, 2018
2016 journal article
The quadrapolar character of the Markovnikov reaction transition state
CHEMICAL PHYSICS, 464, 46–54.
author keywords: Nudged elastic band; Intrinsic reaction coordinate; Transition state; Fukui function; Softness; Regioselectivity
manuscript.elsevier.com (publisher PDF)
UN Sustainable Development Goal Categories
3. Good Health and Well-being
(Web of Science)
Sources: Web Of Science, ORCID
Added: August 6, 2018
2016 journal article
Structure and Composition of the 200K-Superconducting Phase of H2S at Ultrahigh Pressure: The Perovskite (SH-)(H3S+)
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION, 55(11), 3682–3684.
author keywords: electronic structure; high-pressure chemistry; hydrogen sulfide; perovskite phases; superconductors
TL;DR:
DFT calculations show that the perovskite (SH(-) )(H3 S(+) ) is thermodynamically more stable than the Im3‾ m structure of H3 S, and suggest that the A site hydrogen atoms are most likely fluxional even at Tc .
(via Semantic Scholar)
UN Sustainable Development Goal Categories
6. Clean Water and Sanitation
(OpenAlex)
7. Affordable and Clean Energy
(Web of Science)
Source: Web Of Science
Added: August 6, 2018
2016 journal article
Spin orientations of the spin-half Ir4+ ions in Sr3NiIrO6, Sr2IrO4, and Na2IrO3: Density functional, perturbation theory, and Madelung potential analyses
Journal of Chemical Physics, 144(11).
Source: NC State University Libraries
Added: August 6, 2018
2016 journal article
Polarity switching mass spectrometry imaging of healthy and cancerous hen ovarian tissue sections by infrared matrix-assisted laser desorption electrospray ionization (IR-MALDESI)
ANALYST, 141(2), 595–605.
MeSH headings : Animals; Chickens; Female; Infrared Rays; Molecular Imaging / methods; Ovarian Neoplasms / diagnostic imaging; Ovarian Neoplasms / pathology; Ovary / cytology; Ovary / diagnostic imaging; Ovary / pathology; Solvents / chemistry; Spectrometry, Mass, Matrix-Assisted Laser Desorption-Ionization / methods
TL;DR:
In order to obtain a comprehensive metabolite and lipid data, a polarity switching MSI method using infrared matrix assisted laser desorption electrospray ionization (IR-MALDESI) was developed and optimized where the electrosPRay polarity was alternated from one voxel to the next.
(via Semantic Scholar)
UN Sustainable Development Goal Categories
3. Good Health and Well-being
(Web of Science)
Sources: Web Of Science, ORCID
Added: August 6, 2018
2016 journal article
Enhancing the Photocatalytic Activity of BiVO4 for Oxygen Evolution by Ce Doping: Ce3+ Ions as Hole Traps
JOURNAL OF PHYSICAL CHEMISTRY C, 120(4), 2058–2063.
UN Sustainable Development Goal Categories
6. Clean Water and Sanitation
(Web of Science; OpenAlex)
Source: Web Of Science
Added: August 6, 2018
2016 journal article
Contribution of an SFK-Mediated Signaling Pathway in the Dorsal Hippocampus to Cocaine-Memory Reconsolidation in Rats
NEUROPSYCHOPHARMACOLOGY, 41(3), 675–685.
MeSH headings : Animals; Cocaine / administration & dosage; Dopamine Uptake Inhibitors / administration & dosage; Drug-Seeking Behavior / drug effects; Drug-Seeking Behavior / physiology; Enzyme Inhibitors / pharmacology; Excitatory Amino Acid Antagonists / pharmacology; Extinction, Psychological / drug effects; Extinction, Psychological / physiology; Hippocampus / drug effects; Hippocampus / enzymology; Male; Memory Consolidation / drug effects; Memory Consolidation / physiology; Pyrimidines / pharmacology; Quinoxalines / pharmacology; Rats, Sprague-Dawley; Receptors, AMPA / metabolism; Receptors, N-Methyl-D-Aspartate / metabolism; Self Administration; Signal Transduction / drug effects; src-Family Kinases / antagonists & inhibitors; src-Family Kinases / metabolism
TL;DR:
It is suggested that hippocampal SFKs contribute to the long-term stability of cocaine-related memories that underlie contextual stimulus control over cocaine-seeking behavior.
(via Semantic Scholar)
UN Sustainable Development Goal Categories
3. Good Health and Well-being
(Web of Science; OpenAlex)
Source: Web Of Science
Added: August 6, 2018
2016 journal article
Charge photogeneration in organic photovoltaics: Role of hot versus cold charge-transfer excitons
Advanced Energy Materials, 6(1).
Sources: NC State University Libraries, ORCID
Added: August 6, 2018
2016 journal article
Access to 1,4-Dihydrobenzo[e][1,2,4]triazin-4-yl Derivatives
ORGANIC LETTERS, 18(5), 916–919.
TL;DR:
A simple, one-pot method for the preparation of 1-aryl-3-phenyl-1,4-dihydrobenzo[e][1,2,4]triazin-4-yl radicals by addition of aryllithium to the readily available 3- phenylbenzos[e, 2,4]-triazine followed by aerial oxidation is described.
(via Semantic Scholar)
UN Sustainable Development Goal Categories
6. Clean Water and Sanitation
(OpenAlex)
11. Sustainable Cities and Communities
(Web of Science)
Source: Web Of Science
Added: August 6, 2018
2016 journal article
A Periodic Walk through a Series of First-Row, Oxido-Bridged, Heterodimetallic Molecules: Synthesis and Structure
EUROPEAN JOURNAL OF INORGANIC CHEMISTRY, 2016(7), 1054–1059.
author keywords: Heterometallic complexes; Cyclic voltammetry; Donor-acceptor systems; Electronic structure; Jahn-Teller distortion
UN Sustainable Development Goal Categories
3. Good Health and Well-being
(Web of Science)
Sources: Web Of Science, ORCID
Added: August 6, 2018
2016 journal article
The Hydroxyl Radical is a Critical Intermediate in the Voltammetric Detection of Hydrogen Peroxide
Journal of the American Chemical Society, 138(8), 2516–2519.
Contributors: J. Roberts n, M. Voinov n, A. Schmidt n, T. Smirnova n & L. Sombers n
MeSH headings : Electrochemical Techniques / methods; Electron Spin Resonance Spectroscopy / methods; Hydrogen Peroxide / analysis; Hydrogen Peroxide / chemistry; Hydroxyl Radical / analysis; Hydroxyl Radical / chemistry; Pyrroles / chemistry; Spin Labels
TL;DR:
Voltammetry was combined with electron paramagnetic resonance spectroscopy to identify and define the role of an oxygen-centered radical liberated during the oxidation of H2O2, and it was demonstrated that the hydroxyl radical is a principal contributor to the voltammetry of H1O2 as signal is attenuated when this species is trapped.
(via Semantic Scholar)
UN Sustainable Development Goal Categories
3. Good Health and Well-being
(Web of Science)
Sources: Web Of Science, ORCID, Crossref
Added: August 6, 2018
2016 journal article
Synthesis of luminescent nitroxobenzene oligomers by aluminum chloride catalyzed dehydration of nitrobenzene
Polyhedron, 103(Part A), 35–43.
Contributors: R. Wilcox n, J. Folmer n, J. Kennemur n & J. Martin n
author keywords: Nitrobenzene; Nitroxoaromatic polymer; Luminescent; Aluminum chloride; Catalyst
UN Sustainable Development Goal Categories
11. Sustainable Cities and Communities
(Web of Science)
Sources: Web Of Science, ORCID, Crossref
Added: August 6, 2018
2016 journal article
QSAR Modeling and Prediction of Drug-Drug Interactions
MOLECULAR PHARMACEUTICS, 13(2), 545–556.
author keywords: drug-drug interactions; QSAR modeling; simplex descriptors; GUSAR; QNA; DDI; toxicity; adverse drug reactions; mixtures
MeSH headings : Algorithms; Cytochrome P-450 Enzyme System / chemistry; Cytochrome P-450 Enzyme System / metabolism; Databases, Factual; Drug Interactions; Drug-Related Side Effects and Adverse Reactions; Humans; Models, Biological; Models, Molecular; Quantitative Structure-Activity Relationship
TL;DR:
This work generated virtually all possible binary combinations of marketed drugs and employed QSAR models to identify drug pairs predicted to be instances of DDI, and 4500 of these predicted DDIs that were not found in the training sets were confirmed by data from the DrugBank database.
(via Semantic Scholar)
UN Sustainable Development Goal Categories
3. Good Health and Well-being
(Web of Science; OpenAlex)
Source: Web Of Science
Added: August 6, 2018
2016 journal article
Perfluorinated Alcohols Induce Complex Coacervation in Mixed Surfactants
LANGMUIR, 32(10), 2321–2330.
TL;DR:
A novel type of biphasic separation in aqueous solutions of mixed cationic-anionic (catanionic) surfactants induced by hexafluoroisopropanol (HFIP) is described and suggests the formation of a catanionic complex in the coacervate phase through ion pairing with a concomitant release of the surfactant counterions into the aQueous-rich phase.
(via Semantic Scholar)
UN Sustainable Development Goal Categories
6. Clean Water and Sanitation
(OpenAlex)
Source: Web Of Science
Added: August 6, 2018
2016 journal article
Organic synthesis in fluoroalcohol-water two-phase systems
GREEN CHEMISTRY, 18(3), 681–685.
Source: Web Of Science
Added: August 6, 2018
2016 journal article
Harnessing natural product assembly lines: structure, promiscuity, and engineering
JOURNAL OF INDUSTRIAL MICROBIOLOGY & BIOTECHNOLOGY, 43(2-3), 371–387.
author keywords: Combinatorial biosynthesis; Synthetic biology; Enzyme engineering; Polyketide synthases; Non-ribosomal peptide synthases
MeSH headings : Biological Products / chemistry; Biological Products / metabolism; Biosynthetic Pathways / genetics; Metabolic Engineering; Peptides / metabolism; Polyketides / metabolism
TL;DR:
This review briefly summarizes recent structural advances related to natural product assembly lines, discusses chemical approaches to probing assembly line structures in the absence of traditional biophysical data, and surveys efforts that harness the inherent or engineered promiscuity of assembly lines for the synthesis of non-natural polyketides and non-ribosomal peptide analogues.
(via Semantic Scholar)
UN Sustainable Development Goal Categories
3. Good Health and Well-being
(Web of Science)
Sources: Web Of Science, ORCID
Added: August 6, 2018
2016 journal article
Effect of intermetallic compounds on the thermal conductivity of Ti-Cu composites
Journal of Vacuum Science & Technology. A, Vacuum, Surfaces, and Films, 34(2).
Source: NC State University Libraries
Added: August 6, 2018
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