Works Published in 2015
Displaying works 61 - 80 of 264 in total
Sorted by most recent date added to the index first, which may not be the same as publication date order.
2015 chapter
Mass Spectrometry for Biomarker Development
In V. R. Preedy & V. B. Patel (Eds.), General Methods in Biomarker Research and their Applications (pp. 17–48). New York, NY: Springer.
Ed(s): V. Preedy & V. Patel
Source: NC State University Libraries
Added: November 14, 2020
2015 journal article
Investigating H2Sorption in a Fluorinated Metal–Organic Framework with Small Pores Through Molecular Simulation and Inelastic Neutron Scattering
Langmuir, 31(26), 7328–7336.
TL;DR:
The H2 molecule at the primary sorption site in [Zn(trz)(tftph)] exhibits a rotational barrier that exceeds that for most neutral MOFs with open-metal sites according to an empirical phenomenological model, and this was further validated by calculating the rotational potential energy surface for H2 at this site.
(via Semantic Scholar)
UN Sustainable Development Goal Categories
7. Affordable and Clean Energy
(OpenAlex)
Sources: Crossref, ORCID
Added: October 4, 2020
2015 journal article
Theoretical Insights into the Tuning of Metal Binding Sites of Paddlewheels in rht-Metal-Organic Frameworks
ChemPhysChem, 16(15), 3170–3179.
author keywords: copper; metal-organic frameworks; Monte Carlo simulations; partial charges; polarization
TL;DR:
This study demonstrates how the binding site about the metal paddlewheels in the rht-MOF platform can be controlled by changing the functionality on the organic ligand.
(via Semantic Scholar)
Sources: Crossref, ORCID
Added: October 4, 2020
2015 journal article
Inelastic Neutron Scattering and Theoretical Studies of H2Sorption in a Dy(III)-Based Phosphine Coordination Material
Chemistry of Materials, 27(22), 7619–7626.
Sources: Crossref, ORCID
Added: October 4, 2020
2015 journal article
Time Correlation Function Modeling of Third-Order Sum Frequency Vibrational Spectroscopy of a Charged Surface/Water Interface
The Journal of Physical Chemistry B, 119(29), 9219–9224.
MeSH headings : Molecular Dynamics Simulation; Oxygen / chemistry; Silicon Dioxide / chemistry; Spectrum Analysis; Surface Properties; Vibration; Water / chemistry
TL;DR:
A novel molecular dynamics (MD)-based theory is presented that provides a direct means to calculate the third-order contributions to SFVS spectra at charged interfaces, and the results suggest that such spectra have some quite general spectral features.
(via Semantic Scholar)
UN Sustainable Development Goal Categories
6. Clean Water and Sanitation
(OpenAlex)
Sources: Crossref, ORCID
Added: October 4, 2020
2015 journal article
Understanding the H2Sorption Trends in the M-MOF-74 Series (M = Mg, Ni, Co, Zn)
The Journal of Physical Chemistry C, 119(2), 1078–1090.
Sources: Crossref, ORCID
Added: October 4, 2020
2015 journal article
Remote Stabilization of Copper Paddlewheel Based Molecular Building Blocks in Metal–Organic Frameworks
Chemistry of Materials, 27(6), 2144–2151.
Sources: Crossref, ORCID
Added: October 4, 2020
2015 journal article
Novel mode of 2-fold interpenetration observed in a primitive cubic network of formula [Ni(1,2-bis(4-pyridyl)acetylene)2(Cr2O7)]n
Chemical Communications, 51(80), 14832–14835.
TL;DR:
A primitive cubic network of formula [Ni(1,2-bis(4-pyridyl)acetylene)2(Cr2O7)]n, , has been synthesised and found to exhibit a novel type of inclined 2-fold interpenetration and an isosteric heat of adsorption (Q(st)) of 30.5 kJ mol(-1) towards CO2 at zero loading.
(via Semantic Scholar)
Sources: Crossref, ORCID
Added: September 19, 2020
2015 journal article
Hydrophobic pillared square grids for selective removal of CO2 from simulated flue gas
Chemical Communications, 51(85), 15530–15533.
TL;DR:
An isostructural family of metal organic materials of general formula M(linker)2(pillar)], linker = pyrazine, pillar = hexaflourosilicate and M = Zn, Cu, Ni and Co exhibits highly selective removal of CO2 from dry and wet simulated flue gas.
(via Semantic Scholar)
Sources: Crossref, ORCID
Added: September 19, 2020
2015 journal article
Highly selective adsorption of ethylene over ethane in a MOF featuring the combination of open metal site and π-complexation
Chemical Communications, 51(13), 2714–2717.
TL;DR:
The introduction of the combination of open metal site (OMS) and π-complexation into MOF has led to very high ethylene-ethane adsorption selectivity at 318 K, as illustrated in the context of MIL-101-Cr-SO3Ag.
(via Semantic Scholar)
dare.uva.nl (repository)
UN Sustainable Development Goal Categories
6. Clean Water and Sanitation
(OpenAlex)
Sources: Crossref, ORCID
Added: September 19, 2020
2015 journal article
Understanding Hydrogen Sorption in In-soc-MOF: A Charged Metal-Organic Framework with Open-Metal Sites, Narrow Channels, and Counterions
Crystal Growth & Design, 15(3), 1460–1471.
Sources: Crossref, ORCID
Added: September 19, 2020
2015 journal article
The local electric field favours more than exposed nitrogen atoms on CO2 capture: a case study on the rht-type MOF platform
Chemical Communications, 51(47), 9636–9639.
Sources: Crossref, ORCID
Added: September 19, 2020
2015 journal article
Correction: Hydrophobic pillared square grids for selective removal of CO2 from simulated flue gas
Chemical Communications, 51(94), 16872–16872.
TL;DR:
Correction for 'Hydrophobic pillared square grids for selective removal of CO2 from simulated flue gas' by Sameh K. Elsaidi et al.
(via Semantic Scholar)
Sources: Crossref, ORCID
Added: September 19, 2020
2015 journal article
Dysprosium-doped cadmium oxide as a gateway material for mid-infrared plasmonics
Nature Materials, 14(4), 414–420.
TL;DR:
This work shows that CdO:Dy is a model system for intrinsic and extrinsic manipulation of defects affecting electrical, optical and thermal properties, that oxide conductors are ideal candidates for plasmonic devices and that the defect engineering approach for property optimization is generally applicable to other conducting metal oxides.
(via Semantic Scholar)
UN Sustainable Development Goal Categories
3. Good Health and Well-being
(Web of Science)
Sources: Crossref, ORCID
Added: September 4, 2020
2015 journal article
Accelerated Submonomer Solid-Phase Synthesis of Peptoids Incorporating Multiple Substituted N-Aryl Glycine Monomers
The Journal of Organic Chemistry, 80(21), 10490–10497.
MeSH headings : Glycine / analogs & derivatives; Glycine / chemistry; Macromolecular Substances / chemistry; Models, Molecular; Peptoids / chemical synthesis; Peptoids / chemistry; Solid-Phase Synthesis Techniques / methods
TL;DR:
A straightforward enhancement to the submonomer method enables the rapid room temperature synthesis of a wide variety of N-aryl glycine-rich peptoid oligomers, possessing both electron-withdrawing and -donating substituents, in good yields.
(via Semantic Scholar)
UN Sustainable Development Goal Categories
6. Clean Water and Sanitation
(OpenAlex)
Sources: Crossref, ORCID
Added: August 28, 2020
2015 journal article
Phosphorylation is an on/off switch for 5-hydroxyconiferaldehyde O-methyltransferase activity in poplar monolignol biosynthesis
Proceedings of the National Academy of Sciences, 112(27), 8481–8486.
author keywords: AldOMT; COMT; lignin; phosphoproteomics; phosphoregulation
MeSH headings : Acrolein / analogs & derivatives; Acrolein / metabolism; Amino Acid Sequence; Binding Sites / genetics; Biocatalysis; Catechols / metabolism; Chromatography, Liquid; Electrophoresis, Polyacrylamide Gel; Green Fluorescent Proteins / genetics; Green Fluorescent Proteins / metabolism; Isoenzymes / genetics; Isoenzymes / metabolism; Lignin / biosynthesis; Methyltransferases / genetics; Methyltransferases / metabolism; Microscopy, Confocal; Molecular Sequence Data; Mutation; Phosphoproteins / metabolism; Phosphorylation; Plant Proteins / genetics; Plant Proteins / metabolism; Populus / enzymology; Populus / genetics; Populus / metabolism; Proteomics / methods; Protoplasts / enzymology; Protoplasts / metabolism; Sequence Homology, Amino Acid; Tandem Mass Spectrometry
TL;DR:
It is shown that reversible monophosphorylation at Ser123 or Ser125 acts as an on/off switch for the activity of 5-hydroxyconiferaldehyde O-methyltransferase 2 (PtrAldOMT2), an enzyme central to monolignol biosynthesis for lignification in stem-differentiating xylem of Populus trichocarpa.
(via Semantic Scholar)
Sources: Crossref, ORCID
Added: August 28, 2020
2015 journal article
“Snorkeling” of the Charged Sidechain of a Transmembrane Peptide as Directly Observed by Double Electron-Electron Resonance Experiment
Biophysical Journal, 108(2), 203a.
TL;DR:
Experimental observations of “snorkeling” for nitroxide-modified side-chains upon protonation, its dependence upon the location along the transmembrane peptide helix, and how this snorkeling is affected by the membrane electrostatic surface potential are reported.
(via Semantic Scholar)
UN Sustainable Development Goal Categories
7. Affordable and Clean Energy
(OpenAlex)
Sources: Crossref, ORCID
Added: August 28, 2020
2015 journal article
Peptoid nanosheets exhibit a new secondary-structure motif
Nature, 526(7573), 415–420.
MeSH headings : Amino Acid Motifs; Biomimetic Materials / chemical synthesis; Biomimetic Materials / chemistry; Models, Molecular; Molecular Dynamics Simulation; Nanostructures / chemistry; Peptoids / chemical synthesis; Peptoids / chemistry; Polymers / chemical synthesis; Polymers / chemistry; Porosity; Protein Structure, Secondary; Rotation; Water
TL;DR:
The authors' simulations show that nanosheets are structurally and dynamically heterogeneous, can be formed only from peptoids of certain lengths, and are potentially porous to water and ions, and the concept of building regular structures from multiple rotational states can be generalized beyond the peptoid nanosheet system.
(via Semantic Scholar)
Sources: Crossref, ORCID
Added: February 24, 2020
2015 journal article
Synthesis of Cycloprodigiosin Identifies the Natural Isolate as a Scalemic Mixture
Organic Letters, 17(14), 3474–3477.
TL;DR:
Using chiral HPLC and X-ray crystallographic analyses of the synthetically prepared material and natural isolate, naturally occurring cycloprodigiosin was determined to be a scalemic mixture occurring in an enantiomeric ratio of 83:17 (R/S) at C4′.
(via Semantic Scholar)
UN Sustainable Development Goal Categories
14. Life Below Water
(OpenAlex)
Sources: Crossref, ORCID
Added: February 24, 2020
2015 journal article
Predicting chemically-induced skin reactions. Part I: QSAR models of skin sensitization and their application to identify potentially hazardous compounds
Toxicology and Applied Pharmacology, 284(2), 262–272.
author keywords: Skin sensitization; QSAR; Virtual screening; Skin toxicants
MeSH headings : Databases, Factual; Dermatitis, Allergic Contact / etiology; Dermatitis, Allergic Contact / immunology; Hazardous Substances / poisoning; Humans; Models, Chemical; Models, Immunological; Quantitative Structure-Activity Relationship; Skin / drug effects; Skin / immunology; Software
TL;DR:
This study aims to compile, curate, and integrate the largest publicly available dataset related to chemically-induced skin sensitization, use this data to generate rigorously validated and QSAR models for skin sensitized individuals, and employ these models as a virtual screening tool for identifying putative sensitizers among environmental chemicals.
(via Semantic Scholar)
Source: Crossref
Added: February 24, 2020
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