Abstract
We describe a strategy for inducing enantioselectivity in reactions of protio-iminium ions, wherein a chiral catalyst interacts with the highly reactive intermediate through a network of noncovalent interactions. This interaction leads to an attenuation of the reactivity of the iminium ion and allow...
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PMID: 20167783
PDF is available here.
Abstract
We show that metal-organic frameworks (MOFs) can incorporate a large number of different functionalities on linking groups in a way that mixes the linker, rather than forming separate domains. We made complex MOFs from 1,4-benzenedicarboxylate (denoted by "A" in this work) and its derivatives -NH2,...
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PMID: 20150497
PDF is available here.
Dehui Duan,
Dina M Sigano,
James A Kelley,
Christopher C Lai,
Nancy E Lewin,
Noemi Kedei,
Megan L Peach,
Jeewoo Lee,
Thushara P Abeyweera,
Susan A Rotenberg,
Hee Kim,
Young Ho Kim,
Saïd El Kazzouli,
Jae-Uk Chung,
Howard A Young,
Matthew R Young,
Alyson Baker,
Nancy H Colburn,
Adriana Haimovitz-Friedman,
Jean-Philip Truman,
Damon A Parrish,
Jeffrey R Deschamps,
Nicholas A Perry,
Robert J Surawski,
Peter M Blumberg and
Victor E Marquez
Abstract
We have termed "chemical zip codes", are able to transform a relatively small chemical space into a larger universe of biological activities, as membrane-containing organelles within the cell appear to be able to decode these "chemical zip codes". It is postulated that after binding to protein kinas...
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PMID: 18698758
PDF is available here.
Abstract
Green chemistry for chemical synthesis addresses our future challenges in working with chemical processes and products by inventing novel reactions that can maximize the desired products and minimize by-products, designing new synthetic schemes and apparati that can simplify operations in chemical p...
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PMID: 18768813
PDF is available here.
Abstract
We assessed the capabilities of linear regression and neural network models for this purpose. All models were generated with a data set of inventory data on 103 chemicals. Different input sets were chosen as ways to transform the chemical structure into a numerical vector of descriptors and the effe...
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PMID: 18800554
PDF is available here.
Abstract
Alkyne-modified biomolecules can be immobilized site- and chemoselectively on sulfonylazide slides under very mild conditions by means of the click sulfonamide reaction.
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PMID: 18685756
PDF is available here.
Abstract
Collisions of molecules in a thermal gas are difficult to control. Thermal motion randomizes molecular encounters and diminishes the effects of external radiation or static electromagnetic fields on intermolecular interactions. The effects of the thermal motion can be reduced by cooling molecular ga...
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PMID: 18612510
PDF is available here.
Abstract
Additivity among drugs acting on different receptors is only likely if the concentrations responsible for the drug effect of interest are well below the concentration associated with 50% receptor occupancy....
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PMID: 18633029
PDF is available here.
Abstract
We have investigated the molecular basis of CBD at Los Alamos National Laboratory during the past six years, employing a multidisciplinary approach of bioinorganic chemistry and immunology. The results of this work, including speciation, inhalation and dissolution, and immunology will be discussed....
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PMID: 18566702
PDF is available here.
Abstract
Natural rates of chemical production, release, and transport of fluid-borne molecules drive fundamental biological responses to these stimuli. The scaling of the field signaling environment to laboratory conditions recreates essential features of the dynamics and establishes ecological relevance. If...
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PMID: 18521680
PDF is available here.
Abstract
Intense current interest in healthy foods, combined with new technologies in communication, have prompted changes in the Journal of Agricultural and Food Chemistry (JAFC) to allow it to remain a primary means for disseminating new research information about the chemistry of foods and agriculture. JA...
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PMID: 18494489
PDF is available here.
Abstract
We describe research carried out on oxide samples from the western dump of the Sarcheshmeh copper mine. Each sample was split into two parts and a portion of each was exposed to heap-leaching conditions in a column. Subsequently, polished sections, thin sections, and powdered samples were subjected...
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PMID: 18096317
PDF is available here.
Abstract
The Internet has spawned access to unprecedented levels of information. For chemists the increasing number of resources they can use to access chemistry-related information provides them a valuable path to discovery of information, one which was previously limited to commercial and therefore constra...
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PMID: 18549975
PDF is available here.
Abstract
Spheres, or more usually spherical surfaces, are important in electron backscatter diffraction. Both electron backscatter patterns (EBSPs) and pole figure texture data are more accurately represented on the spherical surface, S(2); and unit quaternions, which are the optimal method for orientation c...
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PMID: 18503674
PDF is available here.
Abstract
UDP-N-acetylmuramic acid (UDP-MurNAc) is a substrate of MurC, an important enzyme in the intracellular pathway of bacterial peptidoglycan biosynthesis. Various approaches towards preparation of UDP-MurNAc have been published but these synthetic preparations were shown to include many problematic ste...
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PMID: 18380394
PDF is available here.
Abstract
The capabilities and potential of polyimide and polyimide tubing are gaining popularity in the medical design market place as a result of the increasing need for minimally invasive surgical devices. This article looks at the myths surrounding the tubing to better understand its advantages for medica...
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PMID: 18557403
PDF is available here.
Abstract
A novel way of describing molecules in terms of their surfaces and local properties at the surfaces is described. The use of these surfaces and properties to explain chemical reactivity and model simple molecular properties has already been demonstrated. This study reports an examination of the use o...
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PMID: 18484499
PDF is available here.
Abstract
The existence of infectious agents smaller than bacteria was demonstrated already during the 1890s. After this discovery it took more than 50 years before a resilient definition of viruses could be given. There were separate developments of knowledge concerning plant viruses, bacterial viruses and a...
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PMID: 18446425
PDF is available here.
Author(s) unavailable
Abstract
The runners-up for 2007's Breakthrough of the Year include advances in cellular and structural biology, astrophysics, physics, immunology, synthetic chemistry, neuroscience, and computer science.
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PMID: 18096772
PDF is available here.
Abstract
These results indicate that carbohydrate characteristics (e.g., glycoside linkage) have a major impact on S(0) metabolism and hydrogen production in P. furiosus. Furthermore, such issues need to be considered in designing and implementing metabolic strategies for production of biofuel by fermentativ...
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PMID: 17827328
PDF is available here.
Abstract
The objective of this report is to introduce the novel concept of utilizing sulfenamides as prodrugs for compounds containing an NH-acidic functionality, particularly weakly acidic amide-type functionalities (amides, ureas, carbamates, etc.). Included are the syntheses and physicochemical characteri...
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PMID: 17604170
PDF is available here.
Abstract
Metalloenzymes catalyze reactions of molecular oxygen and its reduced forms through the controlled formation of metal-bound, activated oxygen intermediates. These intermediates have been a challenge to characterize and new experimental approaches capable of relating structure to reactivity under phy...
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PMID: 17307017
PDF is available here.
Abstract
Life is the product of chemistry, which obeys deterministic laws, and of natural selection, which operates on variants offered to it by chance, but may, in a number of cases, have been provided with a sufficiently extensive array of variants to be optimizing. Thus, the origin and evolution of life h...
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PMID: 17443872
PDF is available here.
Abstract
Our last attempts are with a minimal genome consisting of 37 enzymes, a set which is able to express proteins using the ribosomal machinery. These minimal cells are not yet capable of self-reproduction, and this and other shortcomings within the project are critically reviewed....
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PMID: 17443874
PDF is available here.
Abstract
Achieving a fundamental understanding of the phenomena that will underpin both global stewardship and future technologies in energy calls for a thoughtful balance between large-scale immediate solutions using existing technology and the fundamental research needed to provide better solutions in the...
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PMID: 17289985
PDF is available here.
Abstract
Molecular dynamics simulations were performed to study the behavior of nanoscale water droplets at solid surfaces. Simulations of droplets on heterogeneous patterned surfaces show that the relative sizes of the domains and the droplets play an important role as do the interactions between the solid...
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PMID: 17241031
PDF is available here.
Abstract
We conducted a qualitative study to determine the range of promotional practices influencing drug usage in Mumbai. Open-ended interviews were conducted with 15 senior executives in drug companies, 25 chemists and 25 doctors; focus group discussions were held with 36 medical representatives. The stud...
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PMID: 18630221
PDF is available here.
Abstract
We present a novel unit of evolution: a self-reproducing cell in a two-dimensional artificial chemistry. The cells have a strip of genetic material that is used to produce enzymes, each catalyzing a specific reaction that may affect the survival of the cell. The enzymes are kept inside the cell by a...
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PMID: 17204010
PDF is available here.
Abstract
The binding stoichiometry taken together with modeling data suggest that not all modules are functionally equivalent. Determination of the full-length IRBP structure will be a significant breakthrough in understanding the functional roles of IRBP in the visual cycle. The advances presented here will...
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PMID: 18079675
PDF is available here.
Abstract
We describe the prospects of bioinformatics for drug discovery and discuss the current status, problems, and future direction of the interface between bioinformatics and docking studies. We also describe our recent work on sequence and structure analysis using the guanidino-modifying enzymes superfa...
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PMID: 17202790
PDF is available here.
Abstract
We have discovered a micro/nanopatterning technique based on the patterning of a PDMS membrane/film, which involves bonding a PDMS structure/stamp (that has the desired patterns) to a PDMS film. The technique, which we call "bond-detach lithography", was demonstrated (in conjunction with other micro...
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PMID: 17294484
PDF is available here.
Abstract
The conceptual divide between formal systems of computation and abstract models of chemistry is considered. As an attempt to concretely bridge this divide, a formalism is proposed that describes a constructive artificial chemistry on a space of directed graph structures. The idea for the formalism o...
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PMID: 16733079
PDF is available here.
Abstract
I advocate that the Nobel committee should expand the number of Nobel laureates and Prize categories as a service to world science. (1) There is a large surplus of high quality prize candidates deserving of recognition. (2) There has been a vast expansion of research with a proliferation of major su...
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PMID: 17127013
PDF is available here.
Abstract
Today's sciences seem to converge all towards very similar foundational questions. Such claims, both of epistemological and ontological nature, seem to rediscover, in a new fashion some of the most relevant topics of ancient Greek and Mediaeval philosophy of nature, logic and metaphysics, such as th...
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PMID: 17465322
PDF is available here.
Abstract
The focus in environmental research is shifting from emission abatement to critical process analysis, including assessment of resource consumption. The exergy theory offers a thermodynamic methodology to account for the consumption of natural resources. However, exergy data on mineral resources avai...
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PMID: 17144320
PDF is available here.
Abstract
The oxygen-atom-transfer (OAT) reactivity of [LiPrMoO2(OPh)] (1, LiPr=hydrotris(3-isopropylpyrazol-1-yl)borate) with the tertiary phosphines PEt3 and PPh2Me in acetonitrile was investigated. The first step, [LiPrMoO2(OPh)]+PR3-->[LiPrMoO(OPh)(OPR3)], follows a second-order rate law with an associati...
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PMID: 16865754
PDF is available here.
Abstract
Complexes of the types LPtCl2 and [L2Pt]X2 [L = substituted 3-(pyridin-2'-yl)-1,2,4-triazine] were synthesized and characterized by NMR spectroscopy and, for the first time, by X-ray crystallography in an effort to determine the coordination properties of this novel class of inorganic medicinal agen...
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PMID: 16933918
PDF is available here.
Abstract
We have systematically studied the factors that may affect the computed barriers, including the QM/MM setup, the optimization procedures, and the choice of QM region, basis set, and protonation states. It is found that the ChemShell and QSite programs used in the published QM/MM calculations yield s...
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PMID: 16788908
PDF is available here.
Abstract
Inorganic chemistry and biology can benefit greatly from each other. Although synthetic and physical inorganic chemistry have been greatly successful in clarifying the role of metal ions in biological systems, the time may now be right to utilize biological systems to advance coordination chemistry....
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PMID: 16900547
PDF is available here.
Abstract
The radicals and anions derived from the 9H tautomer of adenine by adding a hydrogen atom to one of the four double bonds of the adenine framework have been studied. Computations were carried out using a carefully calibrated density functional (B3LYP) method and basis set (DZP++). Optimized geometri...
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PMID: 16810726
PDF is available here.
Abstract
We identified a scaling limit in which the global deterministic bifurcation picture is fundamentally altered by fluctuations. Numerical simulations of the model are found to be in quantitative agreement with theoretical predictions....
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PMID: 16821899
PDF is available here.
Abstract
Cholic acid has been converted into triamine with the all-trans polycyclic allocholanoyl skeleton and co-directed, axial amino groups; the potential of this system as a scaffold is illustrated by conversion to a preorganised anion receptor.
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PMID: 16733571
PDF is available here.