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Chemistry, Physical (4):
Recent article
Chemistry, Physical
Biophysics (40)1 2011
Abstract
I was able to participate in the great adventure of the last half of the twentieth century: the revolution in biology that advanced the field of protein chemistry to so great an extent. The future is bright and limitless, with greater understanding of biology yet to come....
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PMID: 21545283
PDF is available here.
PDF is available here.
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Abstract
Abstract
Membrane gas separation technologies (air separation, hydrogen recovery from dehydrogenation processes, etc.) use traditionally the glassy polymer membranes with dominating permeability of "small" gas molecules. For this purposes the membranes based on the low free volume glassy polymers (e.g., polys...
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PMID: 21094931
PDF is available here.
PDF is available here.
Ceska a Slovenska farmacie : casopis Ceske farmaceuticke spolecnosti a Slovenske farmaceuticke spolecnosti (60)2 2011
Abstract
The present paper deals with a complex spectral and physicochemical evaluation of mono[{3-[4-(2-etoxyetoxy)-benzoyloxy]-2-hydroxypropyl}-isopropylammonium]fumarate, a potential ultrashort acting beta1-blocker. The identity of the substance under study (labelled as UPB-1) was confirmed by 1H- and 13C-...
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PMID: 21650011
PDF is available here.
PDF is available here.
Abstract
These results indicate that the present NDT cores, in particular the linear-shaped, centrosymmetric naphtho[2,3-b:6,7-b']dithiophene, are promising building blocks for the development of organic semiconducting materials....
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PMID: 21388124
PDF is available here.
PDF is available here.
Abstract
Salusin-beta is a 20 amino acid bioactive peptide originally identified using bioinformatic analyses of human full-length enriched cDNA library. Salusin-beta has been shown to exert potent hypotensive, bradycardic, and pro-atherosclerotic effects. The form in which it exists in biological fluids rema...
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PMID: 21476293
PDF is available here.
PDF is available here.
YAKUGAKU ZASSHI (131)2 2011
Abstract
We are directly exposed has been expanding rapidly. The safety of such nanomaterials has not been well assessed, because nanomaterials have been considered as safe as common larger sized materials which are known not to be absorbed by the body. Therefore, WHO and OECD are collecting safety informati...
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PMID: 21297362
PDF is available here.
PDF is available here.
YAKUGAKU ZASSHI (131)2 2011
Abstract
We have attempted to elucidate the pharmacodynamics and immunotoxicity of nanomaterials, in order to develop novel safe nanomaterials and to establish scientifically based regulations. In this review, we would like to introduce our data on the immunotoxicity of nanosilicas, especially the relationsh...
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PMID: 21297365
PDF is available here.
PDF is available here.
YAKUGAKU ZASSHI (131)2 2011
Abstract
We have not only collected hazard information on NMs but have also analyzed the linkage between silica particle size and their hazards. We have demonstrated that NM with a diameter of under 100 nm can penetrate the stratum corneum of mouse skin and are taken up by living cells such as keratinocytes...
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PMID: 21297364
PDF is available here.
PDF is available here.
YAKUGAKU ZASSHI (131)2 2011
Abstract
We revealed that the nanomaterials were competent to cause chronic effects, by analyzing the intraperitoneal administration studies and carcinogenic promotion studies. These studies suggested that even aggregated nanomaterials were crumbled into nanosized particles inside the body during the long-te...
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PMID: 21297361
PDF is available here.
PDF is available here.
Bulletin for the history of chemistry / Division of the History ofChemistry of the American Chemical Society (36)1 2011
Abstract
Waste Management (30)11 2010
Abstract
This study investigates changes in waste microbial community composition and biomass during in situ aeration in laboratory-scale columns over 32 weeks. Microbial profiles were assessed in solid and leachate samples in relation to physical-chemical parameters using phospholipid ester linked fatty aci...
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PMID: 20483579
PDF is available here.
PDF is available here.
A comparison between physically and chemically driven etching in the oxidation of graphite surfaces.
Abstract
The etching of graphite surfaces by two different types of oxidative treatments, namely dielectric barrier discharge (DBD) air plasma and ultraviolet-generated ozone (UVO), has been investigated and compared by means of scanning tunneling microscopy (STM), Raman spectroscopy and X-ray photoelectron...
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PMID: 20132943
PDF is available here.
PDF is available here.
The Journal of Chemical Physics (132)14 2010
Abstract
A study by molecular dynamics (MD) simulation of the acetonitrile diffusion into a polypyrrole film was carried out with atomic detail in a 0.1N lithium perchlorate solution. From the simulated trajectories, the acetonitrile behavior was estimated from bulk solution to the interior of the polypyrrol...
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PMID: 20406005
PDF is available here.
PDF is available here.
Abstract
My research has included chemical physics, electron and NMR spectroscopy, membrane biophysics, and immunology. This research was curiosity driven as well as problem and technique oriented. A theoretical equation was developed for relating nuclear hyperfine splittings to electron spin distributions i...
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PMID: 20462374
PDF is available here.
PDF is available here.
Abstract
We employ both molecular dynamics (MD) simulations at a temperature below the glass transition temperature T(g) of the polymer bulk, and molecular statics (MS), or energy minimization, to study the interfiber interactions between prototypical polymeric fibers of 4.6 nm diameter, comprising multiple...
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PMID: 20384291
PDF is available here.
PDF is available here.
Abstract
Nanosomal Tacrolimus is well characterized product which provides a new treatment option. It contains no alcohol or surfactants like HCO-60. Thus, Nanosomal Tacrolimus presents a new and improved therapeutic approach for organ transplant patients compared to the marketed HCO-60 based Tacrolimus prod...
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PMID: 20026256
PDF is available here.
PDF is available here.
Waste Management (30)3 2010
Abstract
We may conclude that the final product is suitable for agricultural purposes without a risk of transmitting the pathogenic germs into the environment.
Copyright 2009 Elsevier Ltd. All rights reserved....
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PMID: 19932605
PDF is available here.
PDF is available here.
Abstract
We discuss the progress that was achieved in the last decade in the exploration of new detection methods based on DNA-incorporating nanomaterials as well as their applications to gene delivery. The comparison between various detection platforms, their sensitivity and selectivity, and specific applic...
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PMID: 20148641
PDF is available here.
PDF is available here.
Journal of Physical Chemistry A: Molecules, Spectroscopy, Kinetics, Environment and General Theory (113)47 2009
Abstract
Nature Methods (5)11 2009
Abstract
Journal of Physical Chemistry B (113)35 2009
Abstract
We studied binding energetics using the exact GB model, in which Born radii are computed from the Poisson-Boltzmann (PB) equation. Our results showed that accurate Born radii lead to very good agreement between GB and PB in electrostatic calculations for ligand binding. However, recently developed G...
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PMID: 19678651
PDF is available here.
PDF is available here.
Journal of Physical Chemistry B (113)35 2009
Abstract
We have characterized the collapse of the denatured chain and its relation to structure formation. Two mutants, K28C/H124C and K28C/K97C, were constructed and labeled for monitoring the behaviors of the global molecule and the beta subdomain, respectively. For both the labeled mutants, only native a...
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PMID: 19678648
PDF is available here.
PDF is available here.
Journal of Physical Chemistry B (113)35 2009
Abstract
The sol-to-gel transition was monitored via the use of time-resolved recording of the fluorescence emission of viscosity-sensitive probes. Two dyes were chosen for the study, water-soluble DASPMI and a hydrophobic BODIPY, and steady-state, time-resolved and time-tagged fluorescence measurements were...
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PMID: 19708714
PDF is available here.
PDF is available here.
Journal of Physical Chemistry B (113)35 2009
Abstract
We performed a comparative study of the adsorption of an in vitro selected peptide on two different carbon surfaces: a flat graphene and a curved (0,15) nanotube. The sequence was selected from recent experiments, as the one giving the highest carbon affinity for carbon nanotubes. Rigid docking of t...
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PMID: 19673499
PDF is available here.
PDF is available here.
Abstract
The thermoresponsive PEG-based copolymer poly[2-(2-methoxyethoxy)ethyl methacrylate-co-oligo(ethylene glycol) methacrylate) (P(MEO(2)MA-co-OEGMA)] was grafted onto a silicon wafer, and its chain conformation in aqueous solution was studied by neutron reflectometry. The effects of temperature and sal...
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PMID: 19705903
PDF is available here.
PDF is available here.
Abstract
We have focused on the incorporation of magnetite nanoparticles (NPs) into poly(allylamine hydrochloride)/poly(sodium 4-styrenesulfonate) polyelectrolyte multilayers (PEMs). The main goal of presented studies was to control the two-dimentional ordering of NPs within polyelectrolyte films. The orderi...
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PMID: 19705904
PDF is available here.
PDF is available here.
Abstract
The influence of the number of repeating units in self-assembled monolayers (SAMs) of ethylene glycol and of their end-group termination on the settlement and adhesion of two types of algal cells, viz., zoospores of the macroalga Ulva and cells of the diatom Navicula , was studied. The findings are...
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PMID: 19469528
PDF is available here.
PDF is available here.
Journal of Antibiotics (62)10 2009
Abstract
We present the structure based on physicochemical and spectroscopic NMR investigations and on quantum chemical structure modeling. The structure of a molecule suggests the biosynthetic path starting from 3'-hydroxy tyrosine. The synthesis was undertaken and it resulted in NMR data that fully agree w...
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PMID: 19713991
PDF is available here.
PDF is available here.
Journal of Antibiotics (62)10 2009
Abstract
A novel metabolite, LL-Z1272alpha epoxide, structurally related to ascochlorin, was isolated from the cultured mycelium of Ascochyta viciae J-29, a mutant derived from A. viciae Libert. The structure was elucidated on the basis of spectroscopic data. The epoxide is proposed to be enzymatically forme...
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PMID: 19680284
PDF is available here.
PDF is available here.
Abstract
Surface seawater and boundary layer atmospheric samples were collected on the FS Polarstern during cruise ARKXX in the North Atlantic and Arctic Ocean in 2004. Samples were analyzed for persistent organic pollutants (POPs), with a focus on organochlorine pesticides, including hexachlorocyclohexanes...
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PMID: 19731655
PDF is available here.
PDF is available here.
Abstract
Our data suggest diffusive transport through clay-rich aquitards is limited to colloids with mean diameters < 2-2.2 nm and that measuring the diameter of dissolved organic carbon from nonfractured clay-rich aquitards may be an effective method to estimate effective pore throat diameters of these med...
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PMID: 19731656
PDF is available here.
PDF is available here.
Abstract
We collected all peer-reviewed total organic carbon (TOC)-normalized in situ sediment-porewater distribution coefficients, K(TOC), for impacted sediments. This entailed several hundreds of data for PAHs, PCBs, PCDD/Fs, and chlorinated benzenes, covering a large variety of sediments, locations, and e...
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PMID: 19731647
PDF is available here.
PDF is available here.
Journal of Antibiotics (62)10 2009
Abstract
Eight new inositol phosphorylceramide synthase inhibitors: haplofungin A, B, C, D, E, F, G and H, were discovered in a culture broth of the fungus Lauriomyces bellulus SANK 26899. The planar structures for these haplofungins were elucidated by various spectroscopic analyses and a GC/MS analysis of t...
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PMID: 19644519
PDF is available here.
PDF is available here.
Abstract
The submitochondria location of a mitochondrial protein is very important for further understanding the structure and function of this protein. Hence, it is of great practical significance to develop an automated and reliable method for timely identifying the submitochondria location...
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PMID: 19341746
PDF is available here.
PDF is available here.
Abstract
Treatment of dense nonaqueous phase liquid (DNAPL) source zones using suspensions of reactive iron particles relies upon effective transport of the nano- to submicrometer scale iron particles within the subsurface. Recognition that poor subsurface transport of iron particles results from particle-pa...
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PMID: 19673307
PDF is available here.
PDF is available here.
Abstract
We used a new methodological approach to finally describe the MnP lipophilicity, using the conventional log P(OW) means, for a series of biologically active ortho and meta isomers of Mn(III) N-alkylpyridylporphyrins. Three new porphyrins (MnTnBu-3-PyP, MnTnHex-3-PyP, and MnTnHep-2-PyP) were synthesi...
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PMID: 19361553
PDF is available here.
PDF is available here.
Abstract
The objectives of our study were to prepare a biodegradable nanoparticulate system of chloramphenicol (CHL) and to evaluate its ability to prolong in vitro release of CHL compared to free drug suspension (FDS). CHL-loaded polylactide-co-glycolide nanoparticles (CHL-PLGA-NPs) were prepared by an emul...
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PMID: 19694181
PDF is available here.
PDF is available here.
Abstract
The current study analysed spatial-temporal modifications of the phytoplankton community and water quality, during dry and wet seasons. The phytoplankton community was studied in three areas: Armando Ribeiro Gonçalves Reservoir (ARG), which is an important public use reservoir in RN, Pataxó Ch...
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PMID: 19675924
PDF is available here.
PDF is available here.
Abstract
Journal of Physical Chemistry B (113)10 2009
Abstract
The confinement of D and L dimethyl tartrate in lecithin reverse micelles dispersed in cyclohexane has been investigated by FT-IR, polarimetry, electronic and vibrational circular dichroism (ECD and VCD), 1H NMR, and small-angle X-ray scattering (SAXS). Measurements have been performed at room tempe...
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PMID: 19708163
PDF is available here.
PDF is available here.
Journal of Physical Chemistry B (113)10 2009
Abstract
In this work, an array of molecular-level solvent features--including solute--solvent/solvent--solvent interactions, dipolarity, heterogeneity, dynamics, probe accessibility, and diffusion--were investigated across the entire composition of ambient mixtures containing the ionic liquid 1-butyl-3-meth...
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PMID: 19260713
PDF is available here.
PDF is available here.
Journal of Physical Chemistry B (113)10 2009
Abstract
We call these nonclassical Stark effects. Nonclassical Stark effects arise in the spectroscopy of intervalence charge transfer transitions and both ground- and excited-state electron transfer reactions. Because the movement of charge is ubiquitous in chemistry, biology, and materials science and bec...
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PMID: 19708160
PDF is available here.
PDF is available here.
Journal of Physical Chemistry B (113)10 2009
Abstract
Abstract
Infrared-visible sum-frequency-generation spectroscopy (SFG) is used to investigate the interfacial structure of hexadecanol (C16H33OH) and heneicosane (C21H44) in contact with polystyrene films (PS) spin coated on a sapphire substrate. The interfacial structure of hexadecanol is very different from...
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PMID: 19708209
PDF is available here.
PDF is available here.
Abstract
We introduce a new force field (43A1-S3) for simulation of membranes by the Gromacs simulation package. Construction of the force fields is by standard methods of electronic structure computations for bond parameters and charge distribution and specific volumes and heats of vaporization for small-mol...
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PMID: 19708111
PDF is available here.
PDF is available here.
Abstract
We have modified classical LSW theory, allowing for the derivation of inhibition rate constants. It was found that the investigated synAFGPmi inhibit ice recrystallization at concentrations down to approximately 3 microg mL(-1) or, equivalently, approximately 1 micromol L(-1) for the largest synAFGP...
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PMID: 19708116
PDF is available here.
PDF is available here.
Abstract
We have analyzed GeneChip oligonucleotide microarray data taken from a set of five benchmark experiments including dilution, Latin Square, and "Golden spike" designs. Our analysis concentrates on the important effect of changes in the unwanted nonspecific background inherent in the technology due to...
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PMID: 19708217
PDF is available here.
PDF is available here.
Using support vector machines to distinguish enzymes: approached by incorporating wavelet transform.
Abstract
The enzymatic attributes of newly found protein sequences are usually determined either by biochemical analysis of eukaryotic and prokaryotic genomes or by microarray chips. These experimental methods are both time-consuming and costly. With the explosion of protein sequences registered in the datab...
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PMID: 19049810
PDF is available here.
PDF is available here.
Abstract
A systematic computational approach to describe the conformational dynamics of biomolecules in reduced dimensionality is presented. The method is based on (i) the decomposition of a high-dimensional molecular dynamics trajectory into a few "system" and (many) "bath" degrees of freedom and (ii) a Lan...
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PMID: 19173509
PDF is available here.
PDF is available here.
Abstract
We demonstrate the feasibility of a pure coordinate space implementation in the case of intermediate damping strength and temperature, for times long enough to observe thermal equilibration. After a thorough numerical investigation of the analytically solvable harmonic oscillator case, a Morse oscil...
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PMID: 19173508
PDF is available here.
PDF is available here.
Abstract
These results provide experimental support to a Fermi resonance model previously used for simulations of the N-H stretching infrared absorption band shape and insight into relaxation from the initially excited combination bands....
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PMID: 19173529
PDF is available here.
PDF is available here.
Abstract
The vertical spectrum and the radiationless decay of imidazole have been investigated theoretically. Benchmark calculations were performed employing different methods and levels. Four different conical intersections were characterized and the reaction paths connecting the Franck-Condon region to the...
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PMID: 19173519
PDF is available here.
PDF is available here.
Abstract
Accurate variational Born-Oppenheimer calculations of the 1 (1)A(1) ('), 2 (1)A(1) ('), 2 (3)A(1) ('), and 1 (1)E(') states of the H(3) (+) ion at the ground-state equilibrium geometry are reported. The wave functions of the states are expanded in terms of explicitly correlated spherical Gaussian fu...
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PMID: 19173507
PDF is available here.
PDF is available here.
Abstract
We demonstrate that this time-dependent analog of Koopmans' theorem is not valid, and instead of the time evolution of the HOMO, the time evolution of the orbitals that remain occupied in the cation determines the evolution of the initially created hole in the framework of time-dependent single-dete...
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PMID: 19173505
PDF is available here.
PDF is available here.
Abstract
Determining the carcinogenicity and carcinogenic potency of new chemicals is both a labor-intensive and time-consuming process. In order to expedite the screening process, there is a need to identify alternative toxicity measures that may be used as surrogates for carcinogenic potency. Alternative t...
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PMID: 18977375
PDF is available here.
PDF is available here.
Abstract
Chemoselective cross-coupling reactions were demonstrated for C-S bonds in the BODIPY dyes 1 and 4, and similar reactions were applied to make the two-dye cassette system 11.
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PMID: 19081940
PDF is available here.
PDF is available here.
Abstract
The schemes of isolation and purification of proteolytic complex of Bacillus sp. have been developed, which include fractionation by ammonium sulphate and separation on TSK-gels: ion-exchange chromatography on Toyopearl DEAE-650 (M) and gel-filtration on Toyopearl HW-50. It has been established that...
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PMID: 19663321
PDF is available here.
PDF is available here.
Abstract
Starch occurs as highly organized structures, known as starch granules. Starch has unique thermal properties and functionality that have permitted its wide use in food products and industrial applications. When heated in water, starch undergoes a transition process, during which the granules break d...
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PMID: 18772106
PDF is available here.
PDF is available here.
Abstract
G-protein coupled receptors (GPCRs) are a superfamily of membrane integral proteins responsible for a large number of physiological functions. Approximately 50% of marketed drugs are targeted toward a GPCR. Despite showing a high degree of structural homology, there is a large variance in sequence w...
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PMID: 19153682
PDF is available here.
PDF is available here.