Works Published in 2006
Displaying works 41 - 60 of 208 in total
Sorted by most recent date added to the index first, which may not be the same as publication date order.
2006 journal article
A time correlation function theory describing static field enhanced third order optical effects at interfaces
The Journal of Chemical Physics, 125(22), 224706.
MeSH headings : Computer Simulation; Models, Chemical; Models, Molecular; Optics and Photonics; Static Electricity; Statistics as Topic; Surface Properties; Time Factors
TL;DR:
For the first time, a molecularly detailed time correlation function theory is derived here that allows for the second and third order contributions to sum frequency vibrational spectra to be individually determined.
(via Semantic Scholar)
Sources: Crossref, NC State University Libraries
Added: September 19, 2020
2006 journal article
Theoretical Investigation of the Temperature Dependence of the Fifth-Order Raman Response Function of Fluid and Liquid Xenon†
The Journal of Physical Chemistry B, 110(8), 3773–3781.
TL;DR:
The temperature dependence of the fifth-order Raman response function, R(5)(t1,t2), is calculated for fluid xenon by employing a recently developed time-correlation function (TCF) theory that was shown to be in excellent agreement with existing exact classical MD calculations for liquid xenon as well as reproducing line shape characteristics predicted by earlier theoretical work.
(via Semantic Scholar)
Sources: Crossref, NC State University Libraries
Added: September 19, 2020
2006 journal article
A combined photothermal and molecular dynamics method for determining molecular volume changes
Chemical Physics Letters, 418(1-3), 137–141.
Sources: Crossref, NC State University Libraries
Added: September 19, 2020
2006 journal article
Theoretical Modeling of Interface Specific Vibrational Spectroscopy: Methods and Applications to Aqueous Interfaces
Chemical Reviews, 106(4), 1234–1258.
Sources: Crossref, NC State University Libraries
Added: September 19, 2020
2006 journal article
Nanoscale Structural and Chemical Characterization of Silica Coated Gold Nanoparticles Using STEM 3D Imaging and EELS
Microscopy and Microanalysis, 12(S02), 602–603.
TL;DR:
Extended abstract of a paper presented at Microscopy and Microanalysis 2006 in Chicago, Illinois, USA, July 30 – August 3, 2006 about the design and application of nanofiltration membranes for selective separation of Na6(CO3)(SO4) from Na2SO4.
(via Semantic Scholar)
www.cambridge.org (publisher PDF)
Sources: Crossref, NC State University Libraries
Added: September 7, 2020
2006 journal article
Benchmarking of Linear and Nonlinear Approaches for Quantitative Structure−Property Relationship Studies of Metal Complexation with Ionophores
Journal of Chemical Information and Modeling, 46(2), 808–819.
MeSH headings : Algorithms; Europium / chemistry; Ionophores / chemistry; Linear Models; Models, Theoretical; Nonlinear Dynamics; Organometallic Compounds / chemistry; Quantitative Structure-Activity Relationship; Silver / chemistry; Software Validation
TL;DR:
Individual structure-complexation property models obtained with nonlinear methods demonstrated a significantly better performance than the models built using multilinear regression analysis (MLRA), however, the averaging of several MLRA models based on SMF descriptors provided as good of a prediction as the most efficient nonlinear techniques.
(via Semantic Scholar)
Source: Crossref
Added: August 28, 2020
2006 journal article
Platinum(II) Diimine Diacetylides: Metallacyclization Enhances Photophysical Properties
Inorganic Chemistry, 45(11), 4304–4306.
Contributors: F. Hua*, S. Kinayyigit*, J. Cable* & F. Castellano*
TL;DR:
Time-dependent density functional theory calculations are used to reveal the nature of the excited states in these molecules that are responsible for the charge-transfer transitions, and indicate that the planarization and rigidity introduced by the cyclic diacetylide leads to a lower-energy- absorbing species displaying enhanced photophysics relative to the analogous Pt(dbbpy)(CCPh)2.
(via Semantic Scholar)
Sources: Crossref, ORCID, NC State University Libraries
Added: August 28, 2020
2006 journal article
Observation of Triplet Intraligand Excited States through Nanosecond Step-Scan Fourier Transform Infrared Spectroscopy
Inorganic Chemistry, 45(6), 2370–2372.
Contributors: D. Polyansky *, E. Danilov * & F. Castellano*
TL;DR:
The current results illustrate that triplet electron density can be directly tracked by time-resolved infrared measurements in metal-organic chromophores and that frequency shifts comparable to those observed in charge-transfer systems can be realized.
(via Semantic Scholar)
UN Sustainable Development Goal Categories
7. Affordable and Clean Energy
(OpenAlex)
Sources: Crossref, ORCID, NC State University Libraries, Web Of Science
Added: August 28, 2020
2006 journal article
Photophysics in bipyridyl and terpyridyl platinum(II) acetylides
Coordination Chemistry Reviews, 250(13-14), 1819–1828.
Contributors: F. Castellano* , I. Pomestchenko*, E. Shikhova*, F. Hua*, M. Muro* & N. Rajapakse*
author keywords: platinum; photochemistry; photophysics; photoluminescence; transient spectroscopy
Sources: Crossref, ORCID, NC State University Libraries
Added: August 28, 2020
2006 journal article
Photochemical Upconversion: Anthracene Dimerization Sensitized to Visible Light by a RuII Chromophore
Angewandte Chemie International Edition, 45(36), 5957–5959.
Contributors: R. Islangulov* & F. Castellano*
author keywords: anthracene; cycloaddition; dimerization; photochemistry; upconversion
Sources: Crossref, ORCID, NC State University Libraries
Added: August 28, 2020
2006 journal article
Expedient Synthesis of the α-C-Glycoside Analogue of the Immunostimulant Galactosylceramide (KRN7000)
Organic Letters, 8(15), 3375–3378.
MeSH headings : Adjuvants, Immunologic / chemical synthesis; Adjuvants, Immunologic / pharmacology; Galactosylceramides / chemical synthesis; Galactosylceramides / pharmacology; Glycosides / chemical synthesis; Imines / chemistry; Molecular Structure; Stereoisomerism
TL;DR:
Key reactions in a concise synthesis of an alpha-C-galactosylceramide analogue of KRN7000 include a diastereoselective alkenylalane addition to an N-tert-butanesulfinyl imine and the use of an epoxidation/carbamate ring opening sequence to install the aminodiol stereotriad.
(via Semantic Scholar)
Sources: Crossref, NC State University Libraries
Added: August 28, 2020
2006 journal article
Exploration of Basis Set Issues for Calculation of Intermolecular Interactions
The Journal of Physical Chemistry A, 110(31), 9529–9541.
TL;DR:
The results draw attention to the linear dependence problems inevitably present in accurate calculations and confirm the need for underlying standard basis sets that provide good descriptions of core and valence electrons for the tessellation and augmentation approaches to be reliable.
(via Semantic Scholar)
UN Sustainable Development Goal Categories
7. Affordable and Clean Energy
(OpenAlex)
Sources: Crossref, NC State University Libraries
Added: August 28, 2020
2006 journal article
Synthesis of Cationic Oxorhenium Salen Complexes via μ-Oxo Abstraction and Their Activity in Catalytic Reductions
Inorganic Chemistry, 45(6), 2385–2387.
TL;DR:
Cationic oxorhenium salen complexes are prepared by the abstraction of bridging oxo ligands with [Et3Si][B(C6F5)4] and [Ph3C]; these complexes catalyze the reduction of 2-butanone with Et3SiH under ambient conditions.
(via Semantic Scholar)
Sources: Crossref, NC State University Libraries
Added: August 28, 2020
2006 journal article
Identification of Subunit−Subunit Interactions in Bacteriophage P22 Procapsids by Chemical Cross-linking and Mass Spectrometry
Journal of Proteome Research, 5(2), 370–377.
author keywords: bacteriophage P22; capsid interactions; chemical cross-linking; mass spectrometry
MeSH headings : Amino Acid Substitution / genetics; Bacteriophage P22 / metabolism; Capsid / metabolism; Capsid Proteins / genetics; Capsid Proteins / metabolism; Cross-Linking Reagents; Cysteine / chemistry; Cysteine / genetics; Mass Spectrometry; Models, Molecular; Protein Binding; Protein Subunits / metabolism; Threonine / chemistry; Threonine / genetics; Virus Assembly
TL;DR:
To build a detailed structure model, the secondary structure elements of the P22 coat protein are predicted, and the prediction onto identified helical elements of cryoEM 3D reconstruction is attempted.
(via Semantic Scholar)
Sources: Crossref, NC State University Libraries
Added: August 28, 2020
2006 journal article
Chromatin Assembly Factor 1 Interacts with Histone H3 Methylated at Lysine 79 in the Processes of Epigenetic Silencing and DNA Repair†
Biochemistry, 45(9), 2852–2861.
MeSH headings : Amino Acid Sequence; Cell Extracts; Chromatin Assembly Factor-1; Chromosomal Proteins, Non-Histone / genetics; Chromosomal Proteins, Non-Histone / isolation & purification; Chromosomal Proteins, Non-Histone / metabolism; DNA Repair / physiology; DNA-Binding Proteins / genetics; DNA-Binding Proteins / isolation & purification; DNA-Binding Proteins / metabolism; Epigenesis, Genetic / physiology; Gene Silencing; Histones / metabolism; Lysine / metabolism; Mass Spectrometry; Methylation; Molecular Sequence Data; Nucleosomes / metabolism; S Phase; Saccharomyces cerevisiae / metabolism; Silent Information Regulator Proteins, Saccharomyces cerevisiae / metabolism
TL;DR:
Together, these data indicate that CAF-1 interacts with H3 methylated at lysine 79 during the processes of epigenetic silencing and DNA repair.
(via Semantic Scholar)
Sources: Crossref, NC State University Libraries
Added: August 28, 2020
2006 journal article
Focus in Honor of James A. McCloskey, Recipient of the 2005 ASMS award for a distinguished contribution in mass spectrometry
Journal of the American Society for Mass Spectrometry, 17(10), I1–I2.
MeSH headings : Awards and Prizes; Biochemistry; Chemistry, Analytic; History, 20th Century; History, 21st Century; Mass Spectrometry; Nucleic Acids / analysis; Texas; Utah
Sources: Crossref, NC State University Libraries
Added: February 24, 2020
2006 journal article
Hybrid Approaches to Nanolithography: Photolithographic Structures with Precise, Controllable Nanometer-Scale Spacings Created by Molecular Rulers
Advanced Materials, 18(8), 1020–1022.
Sources: Crossref, NC State University Libraries
Added: February 5, 2020
2006 journal article
PNA/dsDNA complexes: Site specific binding and dsDNA biosensor applications
Journal of the American Chemical Society, 128(26), 8484–8492.
Contributors: E. Baker* , J. Hong*, B. Gaylord*, G. Bazan * & M. Bowers *
MeSH headings : Biosensing Techniques / methods; DNA / chemistry; DNA Probes / chemistry; Electrophoresis, Polyacrylamide Gel; Fluorescence Resonance Energy Transfer; Mass Spectrometry / methods; Molecular Structure; Peptide Nucleic Acids / chemistry; Sensitivity and Specificity
TL;DR:
The capability and specificity of binding indicates that the CCP/PNA assay is a feasible detection method for dsDNA and eliminates the need for thermal denaturing steps typically required for DNA hybridization probe assays.
(via Semantic Scholar)
UN Sustainable Development Goal Categories
7. Affordable and Clean Energy
(OpenAlex)
Source: ORCID
Added: December 5, 2019
2006 journal article
Non-covalent complexes of biological interest: Nucleotide-drug interactions and peptide/protein self assembly
Abstracts of Papers of the American Chemical Society, 231. http://gateway.webofknowledge.com/gateway/Gateway.cgi?GWVersion=2&SrcAuth=ORCID&SrcApp=OrcidOrg&DestLinkType=FullRecord&DestApp=WOS_CPL&KeyUT=WOS:000238125900429&KeyUID=WOS:000238125900429
Contributors: M. Bowers, S. Bernstein, E. Baker , T. Wyttenbach, J. Shea & D. Teplow
Source: ORCID
Added: December 5, 2019
2006 journal article
G-quadruplexes in telomeric repeats are conserved in a solvent-free environment
International Journal of Mass Spectrometry, 253(3), 225–237.
Contributors: E. Baker* , S. Bernstein *, V. Gabelica *, E. De Pauw * & M. Bowers *
author keywords: ion mobility; G-quadruplexes; DNA
TL;DR:
To determine if G-quadruplexes are present in a solvent-free environment, different lengths of the telomeric repeat d(T2AG3)n and dTG4T were investigated with mass spectrometry, ion mobility and molecular dynamics calculations.
(via Semantic Scholar)
Source: ORCID
Added: December 5, 2019
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