Abstract
Accurate prediction of pure compounds autoignition temperature (AIT) is of great importance. In this study, the Artificial Neural Network-Group Contribution (ANN-GC) method is applied to evaluate the AIT of pure compounds. 1025 pure compounds from various chemical families are invest...
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PMID: 21388737
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Abstract
Isolated photosynthetic materials have a relatively short active life time that limits their effective use. To circumvent this limitation, various immobilization techniques have been designed to improve their stability both under storage and working conditions. The immobilization methods are identif...
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PMID: 20960134
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Abstract
L-cysteine adduction occurs at different rates by design in olefinic isoquinolinium diester neuromuscular blockers, yielding corresponding durations of action. Antagonism by exogenous L-cysteine is superior to anticholinesterases, inducing inactivation of the active molecules to restore function rap...
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PMID: 20526187
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Abstract
A new, facile, and efficient procedure for conjugate addition of indole and pyrrole with Michael acceptors have been developed for pulverization-activation reaction catalyzed by wet cyanuric chloride (2,4,6-trichloro-[1,3,5]-triazine or TCT) through grinding under solvent-free conditions at room tem...
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PMID: 19662504
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Abstract
Poly(N, N'-dibromo-N-ethyl-benzene-1, 3-di-sulfonamide) (PBBS) and N, N, N', N'- tetrabromobenzene-1,3-disulfonamide (TBBDA) are effective catalysts for the one-pot synthesis of 2-aryl-1-arylmethyl-1H-1,3-benzimidazoles and 1,5-benzodiazepines and new reagents for synthesis of benzimidazoles from o-...
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PMID: 19517262
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Abstract
The reaction of 2/4-pyridine carboxaldehyes with 2-tetralone analogs in the presence of catalytic amounts of Pd/C and trimethylsilyl chloride in DMF resulted in the formation of 1-(pyridin-2/4-ylmethyl)-2-naphthols in moderate to good yields as opposed to the expected 1-(pyridin-2/4-ylmethylene)-2-t...
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PMID: 19662503
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Abstract
Dynamic kinetic resolution (DKR) was demonstrated in the carbodiimide-mediated couplings of N-benzoyl-DL-amino acids with L-amino acid esters: the yields of the D-L-peptides significantly exceeded 50% in some cases. N-Benzoyl-DL-t-leucine afforded the D-L-peptide almost exclusively (up to 96% yield)...
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PMID: 19508192
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Abstract
A new class of 1,4-substituted 1,2,3-triazole-based unnatural amino acids is demonstrated by employing click reaction between N-Fmoc amino alkyl azides and propiolic acid. The resulting unnatural amino acids were isolated and then subjected to Fmoc deprotection to isolate 1,2,3-triazole based amino...
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PMID: 19961431
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Abstract
The sulfation of a water-insoluble Ganoderma lucidum polysaccharide (GLP) was successfully carried out with chlorosulfonic acid-pyridine in dimethyl formamide to prepare three sulfated GLP derivatives, named sGLP1, sGLP2, and sGLP3. The chemical structure of the sulfated GLP was confirmed by Fourier...
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PMID: 20163182
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Abstract
We have demonstrated that simple two- and three-carbon molecules (glycolaldehyde and glyceraldehyde), in the presence of aqueous sodium silicate, spontaneously form silicate complexes of four- and six-carbon sugars, respectively. Silicate selects for sugars with a specific stereochemistry and seques...
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PMID: 20167782
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Abstract
This paper presents a repair algorithm for the design of a Radial Basis Function (RBF) neural network. The proposed repair RBF (RRBF) algorithm starts from a single prototype randomly initialized in the feature space. The algorithm has two main phases: an architecture learning phase and a parameter...
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PMID: 20180254
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Abstract
Monoclonal antibodies and their derivatives such as antibody fragments, immunoconjugates and Fc fusions, represent the majority of therapeutic proteins in clinical development. Recent successes of such molecules in cancer and in the treatment of autoimmune diseases found a great hope in biotherapeut...
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PMID: 20035680
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Abstract
Calcium species in mineral aerosols collected simultaneously in Aksu (near the Taklimakan Desert), Qingdao (eastern China), and Tsukuba (Japan) during dust and nondust periods were determined using Ca K-edge X-ray absorption near-edge structure (XANES). From the fitting of XANES spectra, it was foun...
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PMID: 19764213
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Abstract
A process or reaction that peaks at high temperatures but not at low ones indicates competition between synthesis and degradation. A proposed phenomenological model composed of a decay factor superimposed on a growth term can describe both. Temperature elevation shortens the two subprocesses' charac...
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PMID: 19637869
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Abstract
The objective of this study was to demonstrate the regeneration of trichloroethylene (TCE) spent activated carbon using persulfate oxidation and iron activated persulfate (IAP) oxidation. Both processes resulted in decreases in the adsorbability of regenerated activated carbons. IAP...
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PMID: 19264399
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Abstract
The work is concerned with the kinetics, identification of intermediates and reaction pathways of the photocatalytic degradation of the herbicide clopyralid (3,6-dichloropyridine-2-carboxylic acid) in UV illuminated aqueous suspensions of TiO(2) (Degussa P25). In the investigated con...
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PMID: 19264403
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Abstract
The degradations of an anthraquinone dye, the reactive blue 4 (RB4), were studied by wet air oxidation (WAO), wet peroxide oxidation (WPO), photocatalytic oxidation, and electro-Fenton (EF) advanced oxidation. The RB4 oxidation was evaluated by the decrease in total organic carbon (T...
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PMID: 19269087
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Abstract
This paper describes the synthesis of a series of Pd(IV) complexes of general structure (N~C)(2)Pd(IV)(O(2)CR)(2) (N~C = a rigid cyclometalated ligand; O(2)CR = carboxylate) by reaction of (N~C)(2)Pd(II) with PhI(O(2)CR)(2). The majority of these complexes undergo clean C-O bond-forming reductive el...
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PMID: 19459631
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Abstract
The potential of Fourier transform (FT)-Raman spectroscopy to quantify the total conjugated linoleic acid (CLA) content was evaluated to find a technique for the routine control of CLA synthesis by chemical procedures. The calibration and validation samples were obtained by photoisomerization of lin...
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PMID: 19588975
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Abstract
We report dynamic measurements of the water-coordination number of lanthanide triflate-based catalysts using luminescence-decay measurements in a range of aqueous systems. This unique characterization method is a reliable, convenient, and fast approach to analyze lanthanide-based catalysts in aqueou...
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PMID: 19385628
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Abstract
Our results show that H(2)O(2) treatment, NaOH treatment, and H(2)O(2) pre-treatment plus subsequent NaOH treatment can mitigate leaching of nickel from the alloy. The porous NiTi samples modified by the two latter processes favor deposition of a layer composed of Ca and P due to the formation of bi...
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PMID: 18431757
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Abstract
Cellulase reaction mechanism was investigated with the use of following pure cellulosic substrates: Microcrystalline cellulose (Avicel), alpha-cellulose (Sigma), filter paper, cotton, and non-crystalline cellulose (NCC). NCC is amorphous cellulose prepared in our laboratory by treatment with concent...
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PMID: 19061239
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Abstract
The influence of a variety of microenvironmental factors on the inherent reactivity of membrane-located reagents is poorly understood. A goal of this review is to provide detailed profiles of membrane properties, including hydrophobicity, oxygen and nitric oxide solubility and diffusion rates, bilay...
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PMID: 19111611
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Abstract
We consider the kinetics of diffusion-influenced reactions which involve a reactant species that can be modeled as a sphere with two reactive patches located on its surface at an arbitrary angular distance. An approximate analytic expression for the rate coefficient is derived based on the Wilemski-...
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PMID: 19275409
PDF is available here.
Abstract
The mode-specific vibrational energy relaxation (VER) of the iron-protoporphyrin IX (the heme) was studied using a non-Markovian time-dependent perturbation theory at the UB3LYP/6-31G(d) level. The derived VER time constants of the excited nu(4) and nu(7) modes, 1.2+/-0.1 and 2.1+/-0.1 ps, respectiv...
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PMID: 19275428
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Abstract
We generalize the narrow escape time formula to a three-dimensional spine attached to the boundary. We treat in detail the case of an ellipsoidal spine and validate our analysis by Brownian simulations. Finally, we compute the narrow escape time when the spine is uniformly covered by small partially...
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PMID: 19275426
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Abstract
The densities of local anesthetics and adjuvants decrease with the increase in temperature and increase when glucose is added. The knowledge of the relative density helps select the most adequate local anesthetic to be administered in the subarachnoid space....
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PMID: 19488527
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Abstract
The first articles published by Anatol Zhabotinsky have been analyzed. The mechanisms of the Belousov-Zhabotinsky and Bray-Liebhafsky oscillating chemical reactions were compared. It was shown that the traditional chemical kinetics, the new methods of molecular biology as well as isotopic compositio...
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PMID: 20067197
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Abstract
Wastewaters from phenol and rubber synthesis were treated by the activated sludge process in a large-scale chemical factory in Shanghai, but the final effluent quality cannot conform with the local discharge limit without using river water for dilution. Therefore, this chemical factory had to upgrad...
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PMID: 19273902
PDF is available here.
Abstract
Combustion characteristics of gas fuel in a pyrolysis-melting incinerator having a 30 kg/h capacity were investigated. Pyrolyzed gas from waste was simulated by propane that was injected in the combustion chamber, and burnt through multi-staged combustion by distributing the combustion air to primar...
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PMID: 18325753
PDF is available here.
Abstract
The Smiles rearrangement is the intramolecular nucleophilic aromatic substitution reaction incorporating a heteroatom as the nucleophilic component and an activated electrophilic arene. One particular variation--the Truce-Smiles rearrangement--utilises a carbon-based nucleophile and an electrophilic...
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PMID: 18949118
PDF is available here.
Abstract
Physical conformation of SOM are of the same importance as, if not more important than, SOM chemical properties for HOC sorption. Although increasing amounts of research focus on SOM physical conformation regarding HOC sorption, proper mathematical description of its physical conformation and the re...
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PMID: 18923860
PDF is available here.
Abstract
In the present energy context, there is a growing interest for the fuel production from biomass. While the first generation of biofuels has shown its limits, a second generation appears that is based on the valorisation of the unused resources of lignocellulosic biomass. This could significantly inc...
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PMID: 18980739
PDF is available here.
Abstract
Direct burning of crop straw in the field has given or is giving rise to a serious pollution of atmosphere. The difficult decomposing of the crop straw by soil microorganisms is one of the reasons the crop straw is not popularly used in agriculture. Fourier transform infrared spectroscopy (FTIR) was...
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PMID: 15762520
PDF is available here.