471 items found

Tags: Chemical Sciences not elsewhere classified keywords.Physical and Theoretical Chemistry

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  • publication

    Perylene Synthesis by the Parallel Cycloaromatization of Adjacent Enediynes

    As part of an investigation into new synthetic routes to poly(peri-naphthalene), the synthesis and cycloaromatization of tetraethynylbiphenyls is described. The...
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    Stereochemical Features of the Physical and Chemical Interactions of Singlet ...

    Oxazolidinone-substituted enecarbamates represent a mechanistically rich system for the study of stereoelectronic, steric, and conformational effects on stereoselectivity and...
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    Confined Polar Mixtures within Cylindrical Nanocavities

    Using molecular dynamics experiments, we have extended our previous analysis of equimolar mixtures of water and acetonitrile confined between silica walls [J. Phys. Chem. B...
  • publication

    Effect of a 17α-(3-Hydroxypropyl)-17β-acetyl Substituent Pattern on the Gluco...

    Replacing the 17α-acetoxy substituent in an antiprogestational 17β-acetyl-11β-arylestra-4,9-dien-3-one by 3-hydroxypropyl significantly diminished glucocorticoid receptor...
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    Aryl Bridged 1-Hydroxypyridin-2-one: Effect of the Bridge on the Eu(III) Sens...

    The efficiency of Eu3+ luminescence by energy transfer from an antenna ligand can be strongly dependent on the metal ion coordination geometry. The geometric component of the...
  • publication

    Thermodynamic Behavior of Poly(3-alkyl Thiophene) Blends:  Equilibrium Cocrys...

    The equilibrium cocrystal formation of poly(3-alkyl thiophene) (P3AT) blends has been studied by isothermal cocrystallization in a differential scanning calorimeter (DSC-7). The...
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    Sagittamides A and B. Polyacetoxy Long-Chain Acyl Amino Acids from a Didemnid...

    An unidentified tunicate from Pohnpei, Micronesia, yielded sagittamides A and Bcompounds comprising a long-chain C26 dicarboxylic acid that acylates terminal l-valine and...
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    Asymmetric Total Synthesis of the Proposed Structure of the Medicinal Alkaloi...

    A highly step-economic asymmetric synthesis of the tetracyclic structure assigned to the medicinal alkaloid jamtine has been accomplished using a chiral lithium amide base...
  • publication

    Design and Synthesis of Potent Cystine-Free Cyclic Hexapeptide Agonists at th...

    Cyclic hexapeptides, incorporating a dipeptide unit in place of the disulfide bond found in urotensin, were prepared and screened at the human urotensin receptor. The bridging...
  • publication

    Infrared and Computational Studies of the Adsorption of Methanol and Ethanol ...

    The adsorption of methanol and ethanol on room-temperature single-walled carbon nanotubes (SWCNTs) has been investigated using Fourier transform infrared (FTIR) spectroscopy and...
  • publication

    Precipiton Reagents:  Precipiton Phosphines for Solution-Phase Reductions

    Several Precipiton phosphines were prepared and employed in the Staudinger reaction and in the reduction of secondary ozonides. Both amines and aldehdyes were obtained in good...
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    Total Synthesis of (±)-Hedychenone:  Trimethyldecalin Terpene Systems via Ste...

    The total synthesis of hedychenone 1 is described. The cycloaddition of the hindered diene 2 and the allenecarboxylate 3 has been shown conclusively to proceed via the [2+2]...
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    Commercialization and Late-Stage Development of a Semisynthetic Antifungal AP...

    Many years ago anidulafungin 1 was identified as a potentially useful medicine for the treatment of fungal infections. Its chemical and physical properties as a relatively high...
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    Pore Shape Affects Spontaneous Charge Redistribution in Small Pores

    A complete understanding of charge redistribution (spontaneous movement of charge once the system has been placed on open-circuit) in porous materials is desirable because...
  • publication

    Ab Initio Study on the Oxidation of NCN by OH: Prediction of the Individual a...

    The mechanism for the reaction of NCN with OH has been investigated by ab initio molecular orbital and transition-state theory calculations. The potential energy surface (PES)...
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    Efficient Charge Transport through a Metal Oxide Semiconductor in the Nanocom...

    A nanocomposite film of tungsten trioxide (WO3) and [Ru(bpy)3]2+ (bpy = 2,2‘-bipyridine) (denoted as Ru−WO3) was prepared from an aqueous colloidal triad solution containing...
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    Unusual Transannular Cyclization Products of Sarcophytoxide, a 14-Membered Ma...

    Treatment of sarcophytoxide with trimethylsilyl trifluoromethanesulfonate afforded an aromatic ketone as an unusual cyclization product. The modified Mosher's method and X-ray...
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    Theoretical Investigation of 1,2-Interchange of a Chlorine Atom and Methyl Gr...

    A recent photofragment translational spectroscopy study of 1,1-dichloroacetone at 193 nm reported two primary unimolecular decomposition channels: C−Cl bond cleavage and...
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    Direct Observation of a Lattice-Framework Silylene:  A Planar Four-Membered-R...

    The n−p transition of the lattice-framework silylene 2,3,4,6,7,8-hexa-tert-butyl-1,5-disilatricyclo[4.2.0.01,4]octa-2,7-diene-5,5-diyl was observed by differential transmission...
  • publication

    Surface Plasmon Resonance Sensitivity of Metal Nanostructures:  Physical Basi...

    In this letter, we show using extended Mie theory simulations that the sensitivity of the surface plasmon resonance (SPR) of a dielectric core-metal nanoshell increases...