Browsing by FAS Department "Chemistry and Chemical Biology"
Now showing items 21-40 of 1213
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Adiabatic Quantum Simulation of Quantum Chemistry
(Nature Publishing Group, 2014)We show how to apply the quantum adiabatic algorithm directly to the quantum computation of molecular properties. We describe a procedure to map electronic structure Hamiltonians to 2-body qubit Hamiltonians with a small ... -
Adiabatic Quantum Simulators
(2011)In his famous 1981 talk, Feynman proposed that unlike classical computers, which would presumably experience an exponential slowdown when simulating quantum phenomena, a universal quantum simulator would not. An ideal ... -
Advanced atomic layer deposition and epitaxy processes
(2015)Atomic Layer Deposition (ALD) was used to grow single-crystalline epitaxial layers of high-k dielectric oxides on semiconductors with remarkably few defects or traps at the interfaces. La2O3 on GaAs(111) produced record-breaking ... -
Advanced Metallization Processes for Complex Structures in Microelectronics by Direct-Liquid-Evaporation Chemical Vapor Deposition
(2017-07-27)With the rapid advancement of semiconductor industry, fabrications of complex microelectronic devices are going beyond the conventional planar geometries into three-dimensionality (3D). Besides, since the emerging of ... -
Advanced Physical Techniques in Inorganic Chemistry: Probing Small Molecule Activation
(2016-05-16)Robust and efficient catalysts are necessary for realizing chemical energy storage as a solution for the intermittency associated with renewable energy sources. To aid in the development of such catalysts, physical methods ... -
Advances in Crystal Growth and Assembly for Imparting Novel Photonic Properties to Semiconductor Nanowires
(2015-08-17)Semiconductor nanowires comprise a versatile materials platform with which to characterize the properties of nanomaterials. The vast range of structural and compositional diversity of nanowires has also enabled their use ... -
Advancing Biological Understanding and Therapeutics Discovery with Small-Molecule Probes
(Elsevier BV, 2015)Small-molecule probes can illuminate biological processes and aid in the assessment of emerging therapeutic targets by perturbing biological systems in a manner distinct from other experimental approaches. Despite the ... -
ALD of Manganese Silicate
(2015) -
All-Atom Model for Stabilization of α-Helical Structure in Peptides by Hydrocarbon Staples
(American Chemical Society (ACS), 2009)Recent work has shown that the incorporation of an all-hydrocarbon “staple” into peptides can greatly increase their α-helix propensity, leading to an improvement in pharmaceutical properties such as proteolytic stability, ... -
All-Optical Interrogation of Neural Circuits
(Society for Neuroscience, 2015)There have been two recent revolutionary advances in neuroscience: First, genetically encoded activity sensors have brought the goal of optical detection of single action potentials in vivo within reach. Second, optogenetic ... -
Allene Synthesis from 2-Alkyn-1-Ols
(Elsevier, 1989)Activation of 2-alkyn-1-01s as their methanesulfonate esters and displacement with hydrazine urnishes the corresponding alkynyl hydrazine derivatives which undergo smooth oxidative rearrangement with diethyl azodicarboxylate ... -
Allosteric Communication in Myosin V: From Small Conformational Changes to Large Directed Movements
(Public Library of Science, 2008)The rigor to post-rigor transition in myosin, a consequence of ATP binding, plays an essential role in the Lymn–Taylor functional cycle because it results in the dissociation of the actomyosin complex after the powerstroke. ... -
Alternating layer addition approach to CdSe/CdS core/shell quantum dots with near-unity quantum yield and high on-time fractions
(Royal Society of Chemistry (RSC), 2012)We report single-particle photoluminescence (PL) intermittency (blinking) with high on-time fractions in colloidal CdSe quantum dots (QD) with conformal CdS shells of 1.4 nm thickness, equivalent to approximately 4 CdS ... -
Amino Acid Metabolic Origin as an Evolutionary Influence on Protein Sequence in Yeast
(Springer-Verlag, 2009)The metabolic cycle of Saccharomyces cerevisiae consists of alternating oxidative (respiration) and reductive (glycolysis) energy-yielding reactions. The intracellular concentrations of amino acid precursors generated by ... -
Analog Modeling of Worm-Like Chain Molecules Using Macroscopic Beads-on-a-String
(Royal Society of Chemistry (RSC), 2012)This paper describes an empirical model of polymer dynamics, based on the agitation of millimeter-sized polymeric beads. Although the interactions between the particles in the macroscopic model, and those between the ... -
Analysis of Inorganic Polyphosphates by Capillary Gel Electrophoresis
(American Chemical Society, 2010)This paper describes the development of a method that uses capillary gel electrophoresis (CGE) to analyze mixtures of inorganic polyphosphate ((P\(_i\))\(_n\)). Resolution of (P\(_i\))\(_n\) on the basis of n, the number ... -
Analytical Devices Based on Direct Synthesis of DNA on Paper
(American Chemical Society (ACS), 2016)This paper addresses a growing need in clinical diagnostics for parallel, multiplex analysis of biomarkers from small biological samples. It describes a new procedure for assembling microarrays of ssDNA and proteins on ... -
Analytical nuclear gradients for the range-separated many-body dispersion model of noncovalent interactions
(Royal Society of Chemistry (RSC), 2016)An accurate treatment of the long-range electron correlation energy, including van der Waals (vdW) or dispersion interactions, is essential for describing the structure, dynamics, and function of a wide variety of systems. ... -
Analyzing Forensic Evidence Based on Density with Magnetic Levitation
(Wiley-Blackwell, 2013)This paper describes a method for determining the density of contact trace objects with magnetic levitation (MagLev). MagLev measurements accurately determine the density (±0.0002 g/cm3) of a diamagnetic object and are ...