Abstract
In this study, the hydrolytic reaction mechanism of HPNP by two effective mononuclear Zn(II) catalysts was explored by using density functional calculations. With the assumption that the active catalyst is in Zn-aqua form, the water-assisted proton transfer mode was found to be energetically the mos...
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PMID: 20603674
PDF is available here.
Abstract
Aleuritic (9,10,16-trihydroxypalmitic) acid self-assembly on mica from solution has been studied using AFM, ATR-FTIR and MD simulations. The goal of this study is to define the role of hydroxyl groups in the interaction between molecules as reference data to understand the mechanism of formation of...
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PMID: 20603671
PDF is available here.
Abstract
Mesoporous beta-Ni(OH)(2) synthesized by a soft template method as a cathode material in a nickel based battery can provide higher specific discharge capacity in comparison with other micro/nanostructures.
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PMID: 20664885
PDF is available here.
Abstract
Hydroxyapatite formation was examined at the surface of self-assembled monolayers (SAMs) modified with four functional groups, -COOH, -NH(2), -CH(3), and -OH. For COOH-SAM and NH(2)-SAM, scanning electron spectroscopic observation showed that flake-like sheet crystals covered the whole wafer and sma...
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PMID: 20657151
PDF is available here.
Abstract
Nuclease P1 is a trinuclear zinc enzyme that catalyzes the hydrolysis of single-stranded DNA and RNA. Density functional calculations are used to elucidate the reaction mechanism of this enzyme with a model of the active site designed on the basis of the X-ray crystal structure. 2-Tetrahydrofuranyl...
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PMID: 20604512
PDF is available here.
Abstract
This report describes the development of a method that enables a rapid (less than 20s), quantitative, and irreversible reduction and inactivation of disulfide-containing proteins at room temperature (20 to 25 degrees C). The formula comprises the ingredients of optimized concentrations of denaturant...
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PMID: 20488157
PDF is available here.
Abstract
We investigate whether intrinsic defects in ice surface segregate. We predict that hydronium, hydroxide, and the Bjerrum L- and D-defects are all more stable at the surface. However, the energetic cost to create a D-defect at the surface and migrate it into the bulk crystal is smaller than its bulk...
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PMID: 20615938
PDF is available here.
Abstract
Palladium nanoparticles have been electrochemically supported on zirconium oxide nanostructured powders and all the nanomaterials have been characterized by several analytical techniques. The Pd/ZrO(2) nanocatalyst is demonstrated to be a very efficient catalyst in Heck, Ullmann, and Suzuki reaction...
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PMID: 20657374
PDF is available here.
Abstract
Electrofilter powders, a by-product of the Bayer process for the production of alumina from bauxite, were leached with sulphuric acid to dissolve gibbsite and transition aluminas, thus obtaining a commercial aluminium sulphate solution and a solid residue. This residue is treated again under more dr...
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PMID: 20207078
PDF is available here.
Abstract
We studied proton dynamics of a short hydrogen bond of the crystalline sodium hydrogen bissulfate, a hydrogen-bonded ferroelectric system. Our approach was based on the established Car-Parrinello molecular dynamics (CPMD) methodology, followed by an a posteriori quantization of the OH stretching mot...
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PMID: 20550407
PDF is available here.
Abstract
A novel technique based on silicon micromachining for fabrication of linear arrays of high-frequency piezoelectric micromachined ultrasound transducers (pMUT) is presented. Piezoelectric elements are formed by deposition of lead zirconia titanate into etched features of a silicon substrate such that...
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PMID: 20529722
PDF is available here.
Abstract
We evaluated the ability of bile alcohols, which are structurally and physiologically similar to bile acids and are produced as the end products of cholesterol catabolism in evolutionarily primitive vertebrates, to act as TGR5 agonists. In a cell-based reporter assay and a cAMP production assay perf...
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PMID: 20023205
PDF is available here.
Abstract
To improve the corrosion resistance and biological performance of commercially pure titanium (cp-Ti) substrates, potassium hydroxide was employed to modify the surfaces of titanium substrates, followed by biomimetic deposition of apatite on the substrates in a simulated body fluid. T...
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PMID: 19963080
PDF is available here.
Abstract
A GPI anchor bearing unsaturated fatty acid lipid chains (1) was synthesized by a highly convergent strategy employing the para-methoxybenzyl group for permanent hydroxyl protection. The final global deprotection was achieved by an efficient three-step, one-pot procedure to give an 81% isolated yield...
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PMID: 20423078
PDF is available here.
Abstract
DMF (N,N-dimethylformamide)/KOH was found to be an efficient hydrogen source in the Pd(OAc)(2)-catalyzed transfer semihydrogenation of various functionalized internal alkynes to afford cis-alkenes in good to high yields with excellent chemo- and stereoselectivity. This catalytic process was also app...
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PMID: 20345142
PDF is available here.
Abstract
Mg-Al layered double hydroxides (LDHs) containing chloride (LDH-Cl) or carbonate (LDH-CO(3)) in the interlayer were obtained at room temperature and after calcitation at 450 degrees C (LDH-Cl-450 and LDH-CO(3)-450) and were characterized by X-ray diffraction and Fourier transform infrared analyses....
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PMID: 20405846
PDF is available here.
Abstract
The reaction of intracomplex proton transfer (44BPY(-.)...HO-H) (R)-->44BPYH(.)+ OH(-) that follows the photoreduction of 4,4'-bipyridine (44BPY) into its anion radical 44BPY(-) in the presence of 1,4-diazabicyclo[2.2.2]octane (DABCO) is investigated in acetonitrile-water mixtures by using picosecon...
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PMID: 20657486
PDF is available here.
Abstract
Many biosensor applications are based on streptavidin (SA) binding to partially biotinylated self-assembled thiol monolayers (SAMs). In our study, binary SAMs on gold were prepared from solutions containing 16-mercapto-1-hexadecanol (thiol I) and N-(8-biotinyl-3,6-dioxa-octanamidyl)-16-mercaptohexad...
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PMID: 20158172
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Abstract
We investigate with X-ray photoelectron spectroscopy the suitability of UV/ozonolysis previously employed to remove alkanethiols from gold, for removing 40-mer, single- and double-stranded synthetic DNA. We find that while UV/O(3) can indeed remove thiolated DNA from gold slides, the treatment times...
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PMID: 20000594
PDF is available here.
Abstract
In the present study, the density functional theory implemented in the Vienna Ab-initio Simulation Package has been used to investigate the alloying effects of different elements of calcium, zinc, yttrium, aluminum and iron when introduced in the Mg crystal lattice. In particular, studies have been...
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PMID: 19683600
PDF is available here.
Abstract
We found that the -OH group of Thr118 from bovine Rho exhibits a slow but measurable hydrogen/deuterium exchange (HDX) under native conditions. Given the location of Thr118 in the X-ray structures, isolated from the aqueous phase and in steric contact with the buried retinal chromophore, we assume t...
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PMID: 20356096
PDF is available here.
Abstract
A novel Pd(II)-catalyzed ortho-C-H olefination protocol has been developed using spatially remote, unprotected tertiary, secondary, and primary alcohols as the directing groups. Mono-N-protected amino acid ligands were found to promote the reaction, and an array of olefin coupling partners could be u...
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PMID: 20359184
PDF is available here.
Abstract
This study aimed to investigate the effects of dry and humid heat curing on the physical and drug release properties of polyvinyl acetate-polyvinyl pyrrolidone matrices. Both conditions resulted in increased tablet hardness; tablets stored under humid conditions showed high plasticity and deformed d...
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PMID: 20174981
PDF is available here.
Abstract
Zn(OH)(2)-catalyzed allylation reactions of allylboronates with aldehydes proceeded smoothly in aqueous media; when alpha-substituted allylboronates were employed, the alpha-addition products were obtained exclusively, and syn-adducts were formed selectively in most cases; the use of Zn(OH)(2) with...
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PMID: 20449270
PDF is available here.
Abstract
We prepared La-impregnated mesoporous silicates to investigate the adsorption of tetracycline in aqueous solution. Nitrogen adsorption-desorption isotherm tests confirmed the mesoporosity of the prepared materials, resulting in a decline in surface area and pore volume along with La loading amount....
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PMID: 20426265
PDF is available here.
Abstract
The first-order reaction of solvolysis of N-[2-(4-o-fluorophenylpiperazin-1-yl)ethyl]-2,5-dimethyl-1-phenylpyrrole-3,4-dicarboximide (PDI) was investigated as a function of pH at 333, 328, 323, 318 and 308 K in the pH range 1.11 - 12.78. The decomposition of PDI was followed by the HPLC method (Nucl...
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PMID: 20210076
PDF is available here.
Abstract
This study seeks to evaluate the efficacy and practicality of the molecular method, compared to the standard microbiological techniques for diagnosing fungal keratitis (FK).
Patients with eye findings suspected of FK were enrolled for cornea sampling. Scrapings from the affected areas of the infecte...
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PMID: 20699629
PDF is available here.
Abstract
In order to characterize the organic properties of waste activated sludge in a wastewater treatment plant, organic matter within sludge was extracted with NH3.H20 preferentially, and subsequently fractionated into five fractions using XAD-8/XAD-4 resins. Up to a 63.8%-71.1% of organic matter within...
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PMID: 20608497
PDF is available here.
Abstract
We have used EPR spectroscopy and BMPO spin-trap to investigate the catalytic properties and ligand modulation of redox activity of copper and iron in human cerebrospinal fluid (CSF). In contrast to iron, copper supplementation provoked a statistically significant increase in hydroxyl free radical g...
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PMID: 20196926
PDF is available here.
Abstract
Aromatic aldehydes bearing electron-donating groups are easily converted into their respective nitriles using NH(2)OH.HCl and TiO(2) under microwave irradiation, while those bearing an electron-withdrawing group give the corresponding oximes.
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PMID: 20110874
PDF is available here.
Abstract
IMPORTANCE OF THE FIELD: Therapy with zoledronic acid (ZOL) is a standard for patients with malignant bone disease. However, the antitumor effects of ZOL are demonstrated only in the preclinical setting and, therefore, they require pharmacological and molecular optimization. ZOL blocks protein isopr...
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PMID: 20001436
PDF is available here.
Abstract
We prepared a water-insoluble film by cross-linking pharmaceutical grade recombinant human serum albumin aiming to the clinical applications, and loaded the film with a synthetic antiplatelet drug, cilostazol. The resultant film possessed native albumin characteristics such as drug binding ability a...
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PMID: 20338098
PDF is available here.
Abstract
The studies on facilitated pertraction of PABA with Amberlite LA-2 and 1-octanol as phase modifier indicated the increase of the process efficiency and, implicitly, of the transport capacity of the liquid membrane by adding KOH in the stripping phase. Thus, the use of KOH led to the diminution of th...
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PMID: 20509318
PDF is available here.
Abstract
Garlic is one of the world's oldest medicines that has been employed not only for flavouring but also as a medical herb for its prophylactic and therapeutic actions. Most garlics' beneficial effects are due to the presence of the organosulphate molecule allicin. Allicin is a highly unstable molecule...
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PMID: 21520707
PDF is available here.
Abstract
Free radicals are highly reactive molecules generated during cellular metabolism. However, their overproduction results in oxidative stress, a deleterious process that can damage cell structures, including lipids and membranes, proteins and DNA. Antioxidants respond to this problem, scavenging free r...
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PMID: 21520714
PDF is available here.
Abstract
Layered double hydroxides (LDHs) constitute an important group of materials with many applications ranging from catalysis and absorption to carriers for drug delivery, DNA intercalation and carbon dioxide sequestration. The structures of LDHs are based upon double brucite-like hydroxide layers [M(2+...
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PMID: 21138162
PDF is available here.
Abstract
Glycan-protein interactions play important biological roles in biological processes. Although there are some methods such as glycan arrays that may elucidate recognition events between carbohydrates and protein as well as screen the important glycan-binding proteins, there is a lack of simple effect...
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PMID: 19939214
PDF is available here.
Abstract
Photooxygenation of 2-(gamma-hydroxyalkyl)furans followed by dehydration affords, in one synthetic operation and in high yield, gamma-spiroketal gamma-lactones. This newly developed technology was successfully applied to the synthesis of three different epimers of pyrenolide D, as well as to the fir...
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PMID: 19746914
PDF is available here.
Abstract
A sensitive electrochemical stripping voltammetric biosensor is designed for organophosphate pesticides (OPs) based on solid-phase extraction (SPE) using Ni/Al layered double hydroxides (LDHs) modified glassy carbon electrode (labeled as Ni/Al-LDHs/GCE). The Ni/Al-LDHs as the host are highly efficie...
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PMID: 19647988
PDF is available here.
Abstract
The Neisseria meningitidis sialic acid synthase (NeuB) catalyzes the metal-dependent condensation of N-acetylmannosamine (ManNAc) and phosphoenolpyruvate (PEP) to generate N-acetylneuraminic acid (NeuAc or sialic acid). N. meningitidis is a causative agent of meningitis and produces a capsular polys...
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PMID: 19719325
PDF is available here.
Abstract
These results indicate how a chemically consistent interpretation of amide hydrogen exchange can provide insight into both the population and the detailed structure of transient protein conformations....
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PMID: 19722680
PDF is available here.
Abstract
We conclude that the LDHs employed in this study can be used not only as adsorbents to remove MCPA from aqueous solutions, but also as supports for the slow release of this highly mobile herbicide, thus controlling its immediate availability and leaching....
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PMID: 19380194
PDF is available here.
Abstract
I and II, is unfolded, the loss of the ordered structure is less than previously found owing to the less curvature of the two-dimensional LDH nanosheet surface. This is the first report related to the investigations of protein structures, conformations, and orientations in the biohybrids consisting...
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PMID: 19689160
PDF is available here.
Abstract
Reactions of NO2, H2O, and CO2 with a thick (>20 monolayer equivalent (MLE)) BaO film supported on Pt(111) were studied with temperature programmed desorption (TPD) and X-ray photoelectron spectroscopy (XPS). NO2 reacts with a thick BaO layer to form surface nitrite-nitrate ion pairs at 300 K, while...
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PMID: 19588918
PDF is available here.
Abstract
Streaming current measurements were performed on poly(N-isopropylacrylamide)-co-N-(1-phenylethyl) acrylamide [P(NIPAAm-co-PEAAm)] thermoresponsive thin films above and below the transition temperature of the polymer (i.e., at 22 and 4 degrees C, respectively). Electrokinetic measurements (ionic stre...
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PMID: 19518102
PDF is available here.
Abstract
We showed that bivalency approach is effective in modulating multidrug resistance protein 1 (MRP1/ABCC1)-mediated doxorubicin (DOX) and etoposide (VP16) resistance in human 2008/MRP1 ovarian carcinoma cells. Flavonoid dimers bearing five or six ethylene glycol (EG) units with 6-methyl (4e, 4f) or 7-...
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PMID: 19725578
PDF is available here.
Abstract
We have performed a systematic study of chemically possible peroxo-type intermediates occurring in the non-heme di-iron enzyme class Ia ribonucleotide reductase, using spectroscopically calibrated computational chemistry. Density functional computations of equilibrium structures, Fe-O and O-O stretc...
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PMID: 19663382
PDF is available here.
Abstract
The emulsion liquid membrane technique was used for the extraction of hexavalent chromium ions from aqueous solution of waste sodium dichromate recovered from the pharmaceutical industry wastewater. The liquid membrane used was composed of kerosene oil as the solvent, Span-80 as the...
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PMID: 19286319
PDF is available here.
Abstract
A detailed study of the effect of pH, temperature, and pressure on the reaction of hydrogen peroxide with [Fe(III)(P(8-))](7-), where P(8-) represents the octa anionic porphyrin, was performed using stopped-flow techniques. Depending on the pH, different high valent iron-oxo species were formed. At...
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PMID: 19601585
PDF is available here.
Abstract
Effect of minor chemical structures such as 1,2-diol content, ethylene content, tacticity, a degree of polymerization, and a degree of saponification of the main chain on biodegradability of polyvinyl alcohol (PVA) is summarized. Most PVA-degraders are Gram-negative bacteria belonging to the Pseudom...
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PMID: 19590867
PDF is available here.
Abstract
The effect of hydroxide ions on proton transfer and H/D isotopic exchange of water molecules was examined at the surface of amorphous ice films at temperatures of 92-140 K. Excess hydroxide ions were provided onto a D(2)O-ice film by the hydrolysis of Na atoms, and H(2)O was adsorbed onto the surfac...
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PMID: 19655907
PDF is available here.
Abstract
The phenolic-group capacities of five humic substances, such as, the Aldrich humic acid, the humic and fulvic acids extracted from a soil, the humic and fulvic acids extracted from a peat have been precisely determined by the non-aqueous potentiometric titration technique. The titration by KOH in th...
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PMID: 19559903
PDF is available here.
Abstract
It is shown that the resonant frequencies and the transmission spectra of ring resonators can be adjusted by depositing or etching the cladding nitride layer on the ring waveguide without introducing an extra loss or extra variations of channel spacing. The cladding nitride layer increases the minim...
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PMID: 19582102
PDF is available here.
Abstract
These results could serve as guidelines in planning synthetic strategies involving other carbohydrates and their derivatives....
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PMID: 19508911
PDF is available here.
Abstract
The dynamics of water in Aerosol-OT reverse micelles are investigated with ultrafast infrared spectroscopy of the hydroxyl stretch. In large reverse micelles, the dynamics of water are separable into two ensembles: slow interfacial water and bulklike core water. As the reverse micelle size decreases...
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PMID: 19586114
PDF is available here.
Abstract
We observe a strong coupling of bending and OH stretching mode to the HOD rotation. As a result almost half of the total vibrational energy is transferred through the HOD rotation to the bath. At the same time the most efficient acceptor mode is the D(2)O rotation indicating the importance of resona...
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PMID: 19425790
PDF is available here.
Abstract
We developed an alcohol-free sol-gel approach to encapsulate biomolecules such as horseradish peroxidase (HRP) in an electrochemically induced three-dimensional porous silica matrix by a one-step process. In this sol-gel process, the electrochemically generated hydroxyl ions at the electrode surface...
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PMID: 19354263
PDF is available here.
Abstract
A layered gadolinium hydroxychloride (LGdH), [Gd2(OH)5(H2O)x]Cl, was synthesized from an aqueous solution of GdCl3.6H2O. The X-ray diffraction (XRD) and the selected area electron diffraction (SAED) studies showed that this compound crystallizes in the orthorhombic structure (a = 12.88(4) A, b = 7.3...
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PMID: 19319394
PDF is available here.
Abstract
Natural organic matter such as guar and humus are recalcitrant to conventional pretreatment technologies and can potentially foul processes such as membranes during water treatment. An innovative method of using synthetic layered double hydroxides (LDH) was investigated for removing common natural o...
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PMID: 19403978
PDF is available here.