In the course of the routine use of NMR as an aid for organic chemistry, a day-to-day problem is the identifica- tion of signals deriving from common contaminants (water, solvents, stabilizers, oils) in less-than-analyti- cally-pure samples. This…
Chemistry
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Contents 1. Historic Introduction 293 2. General Background: Quantum Size Effect and Single-Electron Transitions 294 3. Synthesis and Assembly 296 3.1. Citrate Reduction 296 3.2. The Brust-Schiffrin Method: Two-Phase Synthesis and Stabilization by…
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Content 1. General Introduction and Comments 1025 2. Preparation of Nanostructures of Different Shapes 1027 2.1. Introduction: Nucleation and Particle Growth 1027 2.2. Preparation Methods 1028 2.2.1. Sol Process 1028 2.2.2. Micelles 1031 2.2.3.…
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The palladium-catalyzed cross-coupling reaction of organogold(I) reagents (alkyl, alkenyl, aryl, and alkynyl) with organic electrophiles, such as aryl and alkenyl halides, aryl triflates, benzyl bromide, and benzoyl chloride is reported. The…
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The amide functionality is a common feature in small or complex synthetic or natural molecules. For example, it is ubiquitous in life, as proteins play a crucial role in virtually all biological processes such as enzymatic catalysis (nearly all…
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Until now, photovoltaics-the conversion of sunlight to electrical power-has been dominated by solid-state junction devices, often made of silicon. But this dominance is now being challenged by the emergence of a new generation of photovoltaic cells,…
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Graphene is a rapidly rising star on the horizon of materials science and condensed-matter physics. This strictly two-dimensional material exhibits exceptionally high crystal and electronic quality, and, despite its short history, has already…
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For binary mixtures the phase separation depends on various typical parameters like pressure and temperature. In addition, in 1965 Debye and Kleboth showed that it can also be influenced by external electric fields. They found that a moderate…
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From a theory of Hohenberg and Kohn, approximation methods for treating an inhomogeneous system of interacting electrons are developed. These methods are exact for systems of slowly varying or high density. For the ground state, they lead to…
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Generalized gradient approximations (GGA's) for the exchange-correlation energy improve upon the local spin density (LSD) description of atoms, molecules, and solids. We present a simple derivation of a simple GGA, in which all parameters (other…
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Rhodopsin, the pigment responsible for vision in animals, insect and fish is a typical G protein (guanyl-nucleotide binding protein) consisting of seven transmembrane alpha helices and their interconnecting extramembrane loops. In the case of bovine…
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We deeply sampled the organismal, genetic, and transcriptional diversity in fecal samples collected from a monozygotic (MZ) twin pair and compared the results to 1,095 communities from the gut and other body habitats of related and unrelated…
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A correlation-energy formula due to Colle and Salvetti Theor. Chim. Acta 37, 329 (1975), in which the correlation energy density is expressed in terms of the electron density and a Laplacian of the second-order Hartree-Fock density matrix, is…
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Tables of 1H and 13C NMR chemical shifts have been compiled for common organic compounds often used as reagents or found as products or contaminants in deuterated organic solvents. Building upon the work of Gottlieb, Kotlyar, and Nudelman in the…
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A fluorescent derivative of D-glucose, 2-NBDG, which was previously developed for the evaluation of glucose uptake activity by living cells, was used on Escherichia coli cells and its fate after incorporation in the cells was investigated. 2-NBDG…
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A Second Generation Force Field for the Simulation of Proteins, Nucleic Acids, and Organic MoleculesWe present the derivation of a new molecular mechanical force field for simulating the structures, conformational energies, and interaction energies of proteins, nucleic acids, and many related organic molecules in condensed phases. This effective…
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With transport now the major source of many air pollutants, scientists need to fill in important gaps in our understanding of associated health risks.
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The highly enhanced electrochemiluminescence from a novel hybrid gold/silica/CdSe-CdS quantum-dot nanostructure has been reported for the first time, and successfully applied to develop an ultrasensitive ECL immunosensor for the detection of a…
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Insights into conducting research and the writing of scientific papers are given by Prof. Whitesides in this short essay. The manuscript and its guidelines has been circulated within the Whitesides' research group since 1989.
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The palladium-catalyzed arylative dearomatization of phenols to yield spirocyclohexadienone products in good to excellent yields has been developed. Preliminary results demonstrate that the formation of the spirocyclic all-carbon quaternary center…
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