Works Published in 2013
Displaying works 61 - 80 of 241 in total
Sorted by most recent date added to the index first, which may not be the same as publication date order.
2013 journal article
A Robust Molecular Porous Material with High CO2 Uptake and Selectivity
Journal of the American Chemical Society, 135(30), 10950–10953.
TL;DR:
Gas adsorption measurements and ideal adsorbed solution theory selectivity predictions at 298 K revealed enhanced CO2 separation performance relative to a previously known variant as well as the highest CO2 uptake and isosteric heat of adsorptive performance yet reported for an MPM.
(via Semantic Scholar)
UN Sustainable Development Goal Categories
6. Clean Water and Sanitation
(OpenAlex)
Sources: Crossref, NC State University Libraries
Added: September 19, 2020
2013 journal article
Porous materials with optimal adsorption thermodynamics and kinetics for CO2 separation
Nature, 495(7439), 80–84.
MeSH headings : Adsorption; Biofuels; Carbon Dioxide / chemistry; Carbon Dioxide / isolation & purification; Kinetics; Porosity; Substrate Specificity; Thermodynamics
TL;DR:
A crystal engineering or reticular chemistry strategy that controls pore functionality and size in a series of MOMs with coordinately saturated metal centres and periodically arrayed hexafluorosilicate anions enables a ‘sweet spot’ of kinetics and thermodynamics that offers high volumetric uptake at low CO2 partial pressure (less than 0.15 bar).
(via Semantic Scholar)
Sources: Crossref, NC State University Libraries
Added: September 19, 2020
2013 journal article
Synthetic bacteriochlorins with integral spiro-piperidine motifs
New Journal of Chemistry, 37(4), 1157.
UN Sustainable Development Goal Categories
3. Good Health and Well-being
(Web of Science)
6. Clean Water and Sanitation
(OpenAlex)
Sources: Crossref, NC State University Libraries
Added: September 6, 2020
2013 journal article
Serendipitous synthetic entrée to tetradehydro analogues of cobalamins
New Journal of Chemistry, 37(12), 3964.
UN Sustainable Development Goal Categories
3. Good Health and Well-being
(Web of Science)
Source: Crossref
Added: September 6, 2020
2013 journal article
Integrative Chemical–Biological Read-Across Approach for Chemical Hazard Classification
Chemical Research in Toxicology, 26(8), 1199–1208.
MeSH headings : Animals; Anti-Bacterial Agents / chemistry; Anti-Bacterial Agents / toxicity; Anticonvulsants / chemistry; Anticonvulsants / toxicity; Bacteria / metabolism; Benzbromarone / chemistry; Benzbromarone / toxicity; Carbamazepine / chemistry; Carbamazepine / toxicity; Chloramphenicol / chemistry; Chloramphenicol / toxicity; Databases, Chemical; Gout Suppressants / chemistry; Gout Suppressants / toxicity; Hazardous Substances / classification; Hazardous Substances / toxicity; Liver / drug effects; Quantitative Structure-Activity Relationship; Rats; Transcriptome / drug effects
TL;DR:
A hazard classification and visualization method that draws upon both chemical structural similarity and comparisons of biological responses to chemicals measured in multiple short-term assays ("biological" similarity) to predict chemical toxicity.
(via Semantic Scholar)
citeseerx.ist.psu.edu (repository)
Source: Crossref
Added: August 28, 2020
2013 journal article
Predicting Binding Affinity of CSAR Ligands Using Both Structure-Based and Ligand-Based Approaches
Journal of Chemical Information and Modeling, 53(8), 1915–1922.
MeSH headings : Databases, Pharmaceutical; Drug Discovery / methods; Ligands; Molecular Docking Simulation; Protein Binding; Quantitative Structure-Activity Relationship; Support Vector Machine
TL;DR:
This study shows that externally validated 2D QSAR models were capable of ranking CSAR ligands at least as accurately as more computationally intensive structure-based approaches used both by us and by other groups and ligand-based QSar models can complement structure- based approaches by boosting the prediction performances when used in consensus.
(via Semantic Scholar)
Source: Crossref
Added: August 28, 2020
2013 journal article
Discovery of Novel Antimalarial Compounds Enabled by QSAR-Based Virtual Screening
Journal of Chemical Information and Modeling, 53(2), 475–492.
MeSH headings : Antimalarials / chemistry; Antimalarials / pharmacology; Drug Discovery / methods; Humans; Malaria, Falciparum / drug therapy; Models, Biological; Plasmodium falciparum / drug effects; Quantitative Structure-Activity Relationship
TL;DR:
Quantitative structure-activity relationship models developed for a data set of 3133 compounds defined as either active or inactive against P. falciparum revealed novel chemical scaffolds which could be employed as starting points to discover novel antimalarial agents.
(via Semantic Scholar)
Source: Crossref
Added: August 28, 2020
2013 journal article
Using Graph Indices for the Analysis and Comparison of Chemical Datasets
Molecular Informatics, 32(9-10), 827–842.
author keywords: Chemical dataset graph; Graph indices; QSAR; ADDAGRA
TL;DR:
It is demonstrated that chemical datasets can be effectively characterized and compared by computing simple graph indices such as the average vertex degree or Randic connectivity index.
(via Semantic Scholar)
Source: Crossref
Added: August 28, 2020
2013 journal article
Catalytic proton reduction with transition metal complexes of the redox-active ligand bpy2PYMe
Chemical Science, 4(10), 3934.
Contributors: M. Nippe *, R. Khnayzer *, J. Panetier*, D. Zee *, B. Olaiya*, M. Head-Gordon *, C. Chang *, F. Castellano* , J. Long *
UN Sustainable Development Goal Categories
6. Clean Water and Sanitation
(OpenAlex)
Sources: Crossref, ORCID, NC State University Libraries
Added: August 28, 2020
2013 journal article
Near-IR phosphorescent metalloporphyrin as a photochemical upconversion sensitizer
Chemical Communications, 49(67), 7406.
Contributors: F. Deng *, J. Sommer*, M. Myahkostupov *, K. Schanze * & F. Castellano*
Sources: Crossref, ORCID, NC State University Libraries
Added: August 28, 2020
2013 journal article
Orange-to-blue and red-to-green photon upconversion with a broadband absorbing copper(i) MLCT sensitizer
Chemical Communications, 49(34), 3537.
Contributors: C. McCusker* & F. Castellano*
TL;DR:
A synthetically facile and earth abundant Cu(I) metal-to-ligand charge transfer transfer sensitizer was successfully incorporated into two distinct photochemical upconversion schemes, affording red- to-green and orange-To-blue wavelength conversions.
(via Semantic Scholar)
Sources: Crossref, ORCID, NC State University Libraries
Added: August 28, 2020
2013 journal article
Charge-Transfer and Ligand-Localized Photophysics in Luminescent Cyclometalated Pyrazolate-Bridged Dinuclear Platinum(II) Complexes
Organometallics, 32(14), 3819–3829.
Contributors: A. Chakraborty *, J. Deaton*, A. Haefele* & F. Castellano*
Sources: Crossref, ORCID, NC State University Libraries
Added: August 28, 2020
2013 journal article
Improving the Catalytic Activity of Semiconductor Nanocrystals through Selective Domain Etching
Nano Letters, 13(5), 2016–2023.
Contributors: E. Khon*, K. Lambright *, R. Khnayzer *, P. Moroz*, D. Perera*, E. Butaeva*, S. Lambright*, F. Castellano* , M. Zamkov *
author keywords: Photovoltaics; catalysis; nanocrystals; etching; titanium dioxide
Sources: Crossref, ORCID, NC State University Libraries
Added: August 28, 2020
2013 journal article
Annihilation Limit of a Visible-to-UV Photon Upconversion Composition Ascertained from Transient Absorption Kinetics
The Journal of Physical Chemistry A, 117(21), 4412–4419.
Contributors: F. Deng *, J. Blumhoff* & F. Castellano*
TL;DR:
Clear evidence for the subsequent triplet-triplet annihilation (TTA) of anthracene was afforded by numerous experiments, one of the most compelling was an excitation scan illustrating that the Q-band absorption features of PdOEP are solely responsible for sensitizing the anti-Stokes fluorescence.
(via Semantic Scholar)
UN Sustainable Development Goal Categories
7. Affordable and Clean Energy
(OpenAlex)
Sources: Crossref, ORCID, NC State University Libraries
Added: August 28, 2020
2013 journal article
Toward Organic Photohydrides: Excited-State Behavior of 10-Methyl-9-phenyl-9,10-dihydroacridine
The Journal of Physical Chemistry B, 117(49), 15290–15296.
Contributors: X. Yang *, J. Walpita*, D. Zhou *, H. Luk *, S. Vyas *, R. Khnayzer *, S. Tiwari *, K. Diri*
MeSH headings : Acetonitriles / chemistry; Acridines / chemistry; Hydrogen / chemistry; Hydrogen Peroxide / chemistry; Spectrophotometry, Ultraviolet; Thermodynamics; Ultraviolet Rays; Water / chemistry
TL;DR:
To facilitate the search for improved organic photohydrides that exhibit a concerted mechanism, a computational methodology is presented that evaluates the thermodynamic parameters for the hydride ion, hydrogen atom, and electron release from organic hydrides.
(via Semantic Scholar)
UN Sustainable Development Goal Categories
6. Clean Water and Sanitation
(OpenAlex)
Sources: Crossref, ORCID, NC State University Libraries
Added: August 28, 2020
2013 journal article
Design of a Long-Lifetime, Earth-Abundant, Aqueous Compatible Cu(I) Photosensitizer Using Cooperative Steric Effects
Inorganic Chemistry, 52(14), 8114–8120.
Contributors: C. McCusker* & F. Castellano*
TL;DR:
A new homoleptic Cu(I) photosensitizer designed to exhibit cooperative steric hindrance, unexpectedly produced strong photoluminescence and long excited state lifetimes in a broad range of coordinating and noncoordinating solvents, along with impressive thermodynamic and photochemical stability in solution.
(via Semantic Scholar)
Sources: Crossref, ORCID, NC State University Libraries, Web Of Science
Added: August 28, 2020
2013 journal article
Tracking of Tuning Effects in Bis-Cyclometalated Iridium Complexes: A Combined Time Resolved Infrared Spectroscopy, Electrochemical, and Computational Study
Inorganic Chemistry, 52(15), 8795–8804.
Contributors: D. Chirdon*, C. McCusker*, F. Castellano* & S. Bernhard *
MeSH headings : Electrochemistry; Iridium / chemistry; Models, Molecular; Molecular Conformation; Organometallic Compounds / chemical synthesis; Organometallic Compounds / chemistry; Quantum Theory; Spectrophotometry, Infrared
TL;DR:
Electronic structure and photophysical properties have been investigated for a new series of fluorinated iridium complexes with the parent [Ir(ppy)2(deeb)](PF6) and consistency in the first excitation throughout the series of complexes is revealed.
(via Semantic Scholar)
Sources: Crossref, ORCID, NC State University Libraries
Added: August 28, 2020
2013 journal article
Mono- and Dinuclear Cationic Iridium(III) Complexes Bearing a 2,5-Dipyridylpyrazine (2,5-dpp) Ligand
Inorganic Chemistry, 52(15), 8495–8504.
Contributors: L. Donato*, C. McCusker*, F. Castellano* & E. Zysman-Colman *
MeSH headings : Crystallography, X-Ray; Electrochemistry; Iridium / chemistry; Ligands; Models, Molecular; Molecular Conformation; Organometallic Compounds / chemical synthesis; Organometallic Compounds / chemistry; Pyrazines / chemistry
TL;DR:
Density functional theory (DFT) calculations and electrochemical behavior point to an electronic communication between the two iridium complexes.
(via Semantic Scholar)
Sources: Crossref, ORCID, NC State University Libraries
Added: August 28, 2020
2013 journal article
Photochemical Upconversion: A Physical or Inorganic Chemistry Experiment for Undergraduates Using a Conventional Fluorimeter
Journal of Chemical Education, 90(6), 786–789.
Contributors: B. Wilke* & F. Castellano*
author keywords: Upper-Division Undergraduate; Inorganic Chemistry; Physical Chemistry; Laboratory Instruction; Hands-On Learning/Manipulatives; Photochemistry; Fluorescence Spectroscopy; Kinetics; Rate Law; UV-Vis Spectroscopy
UN Sustainable Development Goal Categories
7. Affordable and Clean Energy
(OpenAlex)
Sources: Crossref, ORCID, NC State University Libraries
Added: August 28, 2020
2013 journal article
Ultrafast Photoinduced Electron Transfer in Viologen-Linked BODIPY Dyes
ChemPhysChem, 14(14), 3348–3354.
Contributors: D. Frath *, J. Yarnell*, G. Ulrich *, F. Castellano* & R. Ziessel*
author keywords: absorption; dyes; pigments; electron transfer; fluorescent probes; photophysics
TL;DR:
New boron-dipyrromethene (BODIPY) dyes linked to viologen are prepared and their photophysical and electrochemical properties are investigated, demonstrating well-defined redox behavior and heavily quenched by photoinduced electron transfer from the BODIPy to the viologe subunit.
(via Semantic Scholar)
Sources: Crossref, ORCID, NC State University Libraries
Added: August 28, 2020
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