Works Published in 2005
Displaying works 41 - 60 of 219 in total
Sorted by most recent date added to the index first, which may not be the same as publication date order.
2005 journal article
Catalytic Reduction of Amides to Amines with Hydrosilanes Using a Triruthenium Carbonyl Cluster as the Catalyst
Organic Syntheses, 82, 188.
Ed(s): P. Wipf & J. Pierce
Sources: Crossref, ORCID
Added: December 24, 2020
2005 journal article
Lipase-Catalyzed Resolution of 4-Trimethylsilyl-3-Butyn-2-ol and Conversion of the (R)-Enantiomer to (R)-3-Butyn-2-yl Mesylate and (P)-1-Tributylstannyl-1,2-Butadiene
Organic Syntheses, 4, 43–55.
Sources: Crossref, ORCID
Added: December 24, 2020
2005 journal article
Structure-guided saturation mutagenesis of N-acetylneuraminic acid lyase for the synthesis of sialic acid mimetics
Protein Engineering, Design and Selection, 18(5), 239–246.
author keywords: N-acetylneuraminic acid lyase; sialic acid mimetics; structure-guided saturation mutagenesis; synthesis
MeSH headings : Amides / metabolism; Amino Acid Substitution; Biomimetics; Escherichia coli / enzymology; Molecular Structure; Mutagenesis; N-Acetylneuraminic Acid / metabolism; Oxo-Acid-Lyases / chemistry; Oxo-Acid-Lyases / genetics; Protein Engineering; Structure-Activity Relationship; Substrate Specificity
TL;DR:
Engineering efforts provide a scaffold for the further tailoring of NAL for the synthesis of sialic acid mimetics, including 6-dipropylcarboxamides, through structure-guided saturation mutagenesis.
(via Semantic Scholar)
academic.oup.com (publisher PDF)
Sources: Crossref, ORCID
Added: December 22, 2020
2005 journal article
The Met-Tyr-Trp Cross-link in Mycobacterium tuberculosis Catalase-peroxidase (KatG)
Journal of Biological Chemistry, 280(24), 22651–22663.
Contributors: R. Ghiladi* , G. Knudsen *, K. Medzihradszky * & P. Ortiz De Montellano*
MeSH headings : Amino Acid Sequence; Bacterial Proteins / chemistry; Bacterial Proteins / physiology; Binding Sites; Catalase / chemistry; Catalase / physiology; Catalysis; Chromatography, High Pressure Liquid; Cross-Linking Reagents / pharmacology; Crystallography, X-Ray; Heme / chemistry; Hydrogen Peroxide / chemistry; Kinetics; Mass Spectrometry; Methionine / chemistry; Models, Chemical; Models, Molecular; Molecular Sequence Data; Mycobacterium tuberculosis / enzymology; Peptides / chemistry; Peracetic Acid / chemistry; Plasmids / metabolism; Protein Binding; Recombinant Proteins / chemistry; Spectrophotometry; Time Factors; Trypsin / pharmacology; Tryptophan / chemistry; Tyrosine / chemistry; Ultraviolet Rays
TL;DR:
The structure-function-spectroscopy relationship in KatG is discussed with relevance to the role that the Met-Tyr-Trp cross-link plays in the catalase-peroxidase mechanism.
(via Semantic Scholar)
UN Sustainable Development Goal Categories
3. Good Health and Well-being
(OpenAlex)
Sources: ORCID, Crossref
Added: December 15, 2020
2005 journal article
Role of the Met−Tyr−Trp Cross-Link inMycobacterium tuberculosis Catalase-Peroxidase (KatG) As Revealed by KatG(M255I)
Biochemistry, 44(46), 15093–15105.
Contributors: R. Ghiladi* , K. Medzihradszky * & P. Ortiz De Montellano*
MeSH headings : Amino Acid Sequence; Bacterial Proteins / chemistry; Bacterial Proteins / genetics; Catalase / chemistry; Catalase / genetics; Chromatography, High Pressure Liquid; Cross-Linking Reagents; Mass Spectrometry; Methionine / chemistry; Molecular Sequence Data; Peptide Fragments / chemistry; Peracetic Acid / chemistry; Peroxidases / analysis; Spectrophotometry; Spectrophotometry, Ultraviolet; Tryptophan / chemistry; Tyrosine / chemistry
TL;DR:
Insight into the contributions of the individual Tyr-Trp and Met-Tyr cross-links to catalase activity is presented, as is the overall contribution of the Met-tyr-trp cross-link to the structure-function-spectroscopy relationship and catalases-peroxidase mechanism in KatG.
(via Semantic Scholar)
Sources: ORCID, Crossref
Added: December 15, 2020
2005 journal article
Heme-copper/dioxygen adduct formation relevant to cytochrome c oxidase: Spectroscopic characterization of [(<sup>6</sup>L)Fe<sup>III</sup>-(O <inf>2</inf><sup>2-</sup>)-Cu<sup>II</sup>]<sup>+</sup>
Journal of Biological Inorganic Chemistry, 10(1), 63–77.
Contributors: R. Ghiladi* , H. Huang *, P. Moënne-Loccoz *, J. Stasser*, N. Blackburn *, A. Woods *, R. Cotter *, C. Incarvito*, A. Rheingold *, K. Karlin *
author keywords: heme-copper; iron(II)-copper(I) complex; peroxo complex; mass spectrometry; resonance Raman spectroscopy; dioxygen adduct; model compound
MeSH headings : Binding Sites; Copper / chemistry; Copper / metabolism; Electron Transport Complex IV / chemistry; Electron Transport Complex IV / metabolism; Heme / chemistry; Heme / metabolism; Molecular Conformation; Oxygen / chemistry; Oxygen / metabolism; Solvents; Spectrum Analysis; Temperature
TL;DR:
1H and 2H NMR spectroscopy reveals that 2 is the first heme-copper peroxo complex which is high-spin, with downfield-shifted pyrrole resonances and upfield shifted peaks at δ= −22, −35, and −40 ppm, similar to the pattern observed for the μ-oxocomplex.
(via Semantic Scholar)
Source: ORCID
Added: December 15, 2020
2005 journal article
Correlation between Isoniazid Resistance and Superoxide Reactivity in Mycobacterium tuberculosis KatG
Journal of the American Chemical Society, 127(38), 13428–13442.
Contributors: R. Ghiladi* , K. Medzihradszky *, F. Rusnak* & P. Ortiz De Montellano*
MeSH headings : Bacterial Proteins / chemistry; Catalase / chemistry; Drug Resistance, Microbial; Free Radicals / chemistry; Isoniazid / chemistry; Isoniazid / pharmacology; Mycobacterium tuberculosis / drug effects; Mycobacterium tuberculosis / enzymology; Oxidation-Reduction; Oxygen Consumption / drug effects; Structure-Activity Relationship; Time Factors
TL;DR:
A mechanism for isoniazid resistance which accounts for the observed reactivity for each of the compound I, II, and III intermediates is proposed and suggests that the compound III pathway may be the primary factor in determining overall isoniaZid resistance by specific KatG mutants, with secondary contributions arising from the compounds I and II pathways.
(via Semantic Scholar)
UN Sustainable Development Goal Categories
3. Good Health and Well-being
(OpenAlex)
Sources: ORCID, Crossref
Added: December 15, 2020
2005 journal article
Ultrafast energy migration in platinum(II) diimine complexes bearing pyrenylacetylide chromophores
Journal of Physical Chemistry A, 109(11), 2465–2471.
Contributors: E. Danilov, I. Pomestchenko, S. Kinayyigit, P. Gentili, M. Hissler, R. Ziessel, F. Castellano
Source: ORCID
Added: December 15, 2020
2005 journal article
Influence of a Gold(I)−Acetylide Subunit on the Photophysics of Re(Phen)(CO)3Cl
Inorganic Chemistry, 44(10), 3412–3421.
Contributors: I. Pomestchenko*, D. Polyansky * & F. Castellano*
TL;DR:
In fac-Re(phenC triple bond CH)(CO)(3)Cl, the RT excited-state decay is most consistent with a metal-to-ligand charge transfer (MLCT) assignment, whereas at 77 K, the lowest excited state is dominated by the triplet intraligand ((3)IL) state, localized within the diimine ligand.
(via Semantic Scholar)
Sources: ORCID, Crossref, NC State University Libraries
Added: December 15, 2020
2005 encyclopedia entry
Dirhodium(II) Tetrakis[R 2-oxaazetidine-4(S)-carboxylate]
In Encyclopedia of Reagents for Organic Synthesis.
UN Sustainable Development Goal Categories
2. Zero Hunger
(OpenAlex)
Source: ORCID
Added: December 15, 2020
2005 journal article
Adiabatic demagnetization of a pyrochlore antiferromagnet Gd<inf>2</inf>Ti<inf>2</inf>O<inf>7</inf>
Journal of Magnetism and Magnetic Materials, 290-291 PART 1, 709–711.
Contributors: S. Sosin *, L. Prozorova*, A. Smirnov* , A. Golov *, I. Berkutov*, O. Petrenko *, G. Balakrishnan *, M. Zhitomirsky*
author keywords: magnetocaloric effect; frustration; rare-earth compounds
UN Sustainable Development Goal Categories
7. Affordable and Clean Energy
(OpenAlex)
Source: ORCID
Added: December 4, 2020
2005 journal article
Magnetocaloric effect in pyrochlore antiferromagnet Gd<inf>2</inf>Ti<inf>2</inf>O<inf>7</inf>
Physical Review B - Condensed Matter and Materials Physics, 71(9).
Contributors: S. Sosin *, L. Prozorova*, A. Smirnov* , A. Golov *, I. Berkutov*, O. Petrenko *, G. Balakrishnan *, M. Zhitomirsky*
Source: ORCID
Added: December 4, 2020
2005 journal article
Field-controlled phase separation at the impurity-induced magnetic ordering in the spin-peierls magnet CuGeO<inf>3</inf>
Physical Review Letters, 94(5).
Contributors: V. Glazkov *, A. Smirnov* , H. Von Nidda *, A. Loidl *, K. Uchinokura* & T. Masuda *
TL;DR:
The paramagnetic fraction surviving at the impurity-induced antiferromagnetic phase transition in the spin-Peierls magnet CuGeO3 is found to increase with an external magnetic field.
(via Semantic Scholar)
Source: ORCID
Added: December 4, 2020
2005 journal article
The method of possible states and its application to the chemical thermodynamic analysis of nonequilibrium processes in a multicomponent mixture of reacting gases under isobaric adiabatic conditions
Theoretical Foundations of Chemical Engineering, 39(3), 250–258.
Contributors: A. Smirnov*
Source: ORCID
Added: December 4, 2020
2005 journal article
Applications of a time correlation function theory for the fifth-order Raman response function I: Atomic liquids
The Journal of Chemical Physics, 123(19), 194507.
TL;DR:
The new TCF theory is employed to calculate the fifth-order Raman response function for liquid xenon and investigate several of the polarization conditions for which experiments can be performed on an isotropic system.
(via Semantic Scholar)
Sources: Crossref, NC State University Libraries
Added: September 19, 2020
2005 journal article
A theoretical description of the polarization dependence of the sum frequency generation spectroscopy of the water/vapor interface
The Journal of Chemical Physics, 123(14), 144705.
TL;DR:
An improved time correlation function (TCF) description of sum frequency generation (SFG) spectroscopy was developed and applied, and several resonances are shown to be due to a single spectroscopic species while the "donor" O-H region is shown to consist of three distinct species-consistent with an earlier experimental analysis.
(via Semantic Scholar)
UN Sustainable Development Goal Categories
6. Clean Water and Sanitation
(OpenAlex)
Sources: Crossref, NC State University Libraries
Added: September 19, 2020
2005 journal article
Identification of a wagging vibrational mode of water molecules at the water/vapor interface
Physical Review E, 71(5).
TL;DR:
An improved time correlation function description of sum frequency generation (SFG) spectroscopy was applied to theoretically describe the water/vapor interface and the resulting spectra compare favorably in shape and relative magnitude to extant experimental results in the O-H stretching region of water.
(via Semantic Scholar)
UN Sustainable Development Goal Categories
6. Clean Water and Sanitation
(OpenAlex)
Sources: Crossref, NC State University Libraries
Added: September 19, 2020
2005 journal article
Negative differential resistance: Molecular structure, organization and mechanism.
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 229, U726.
Contributors: C. Gorman
Source: ORCID
Added: September 17, 2020
2005 journal article
Structural and Electron-Transfer Characteristics of O-, S-, and Se-Tethered Porphyrin Monolayers on Si(100) [J. Am. Chem. Soc.2004,126, 15603−15612].
Journal of the American Chemical Society, 127(25), 9308–9308.
TL;DR:
Collectively, the studies reported herein provide a detailed picture of how the anchor atom and the linker type influence the structural and electron-transfer characteristics of these general classes of monolayers.
(via Semantic Scholar)
Sources: Crossref, NC State University Libraries
Added: September 6, 2020
2005 journal article
Substructural fragments: an universal language to encode reactions, molecular and supramolecular structures
Journal of Computer-Aided Molecular Design, 19(9-10), 693–703.
author keywords: chemical reactions; clustering; condensed graphs of reactions; exchange of information; hydrogen bonds; QSPR; similarity; solubility; substructural fragments
MeSH headings : Computer Simulation; Hydrogen Bonding; Macromolecular Substances; Models, Chemical; Molecular Structure; Quantitative Structure-Activity Relationship; Solubility; Thermodynamics; Water
TL;DR:
Substructural fragments are proposed as a simple and safe way to encode molecular structures in a matrix containing the occurrence of fragments of a given type and the knowledge retrieved from QSPR modelling can also be stored in that matrix in addition to the information about fragments.
(via Semantic Scholar)
Source: Crossref
Added: August 28, 2020
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