bluuebunny/crossref_metadata_2025_split huggingface dataset:
Soft sensing and optimization of pesticide waste incinerator
Authors: Yan Zhengbing , Liu Xinggao 
Published: February 2012

ABSTRACTThree soft sensor models [radial basis function (RBF), support vector machine (SVM), and independent component analysis–support vector machine (ICA–SVM)] are developed to infer the Chemical Oxygen Demand (COD) of the quench water produced from the pesticide waste incinerator, respectively. An optimization model of COD is further proposed based on the aforementioned soft sensor models. Furthermore, chaos genetic algorithm is introduced to solve the optimization model. The procedure is demonstrated and discussed with the practical industrial cases, where the mean relative error of the proposed ICA–SVM model for COD prediction is 0.16%, and the mean COD of the practical factory is decreased from original 1140 mg/L to current 393 mg/L, decreasing 65.53%, with the proposed optimal soft sensing approach. © 2012 Curtin University of Technology and John Wiley & Sons, Ltd.
Intercalative polymerization of L‐lactide with organically modified clay by a reactive extrusion method and instrumental analyses of the poly(lactic acid)/clay nanocomposites
Authors: Nishida Masakazu , Tanaka Toshiyuki , Yamaguchi Tomohiro , Suzuki Kenzi , Kanematsu Wataru 
Published: February 2012

AbstractUsing a reactive extrusion‐molding process, we produced poly(lactic acid) (PLA) nanocomposites from L‐lactide monomer in the presence of organic montmorillonites. On the basis of X‐ray diffraction, scanning electron microscopy, and transmission electron microscopy analyses, we determined that the intercalation of the PLA between the clay layers in the mixing process, followed by disappearance of agglomeration, proceeded in the extrusion process. Although only a slight change in the chemical shifts in cross‐polarization/magic angle spinning 13C‐NMR was observed with the addition of the organic clay, the presence of the additive and the organic content of the nanocomposites affected the nuclear magnetic relaxation times [the 1H spin‐lattice relaxation time (T1H) and the 13C spin‐lattice relaxation time (T1C)] for different temperatures. The nanoclay suppressed increases in T1H at elevated temperatures and extended T1C values of C=O and CH around room temperature. © 2012 Wiley Periodicals, Inc. J Appl Polym Sci, 2012
Rapid synthesis of poly(p‐dioxanone)/montmorillonite nanocomposites under microwave irradiation
Authors: Wang Xiu‐Li , Li Ying , Li Bo , Wang Yu‐Zhong 
Published: February 2012

AbstractA rapid and “green” synthesis of poly(p‐dioxanone) (PPDO)/montmorillonite (MMT) nanocomposites was carried out smoothly and effectively nder constant microwave powers of 30, 60, 90, and 120 W in a microwave oven at a frequency of 2.45 GHz. The temperature of polymerization was in the range 103–224°C. PPDO, with a viscosity‐average molecular weight of 111,000 g/mol and a conversion of 85%, was obtained at 60 W for 10 min, in which the ratio of p‐dioxanone to AlEt3 was 300/1 (mol/mol). The intercalated structure of PPDO/MMT nanocomposites was confirmed by X‐ray diffraction and transmission electron microscopy. Thermogravimetry data showed that the thermal stability of the nanocomposites prepared under microwave irradiation was improved with respect to those prepared via conventional heating. © 2012 Wiley Periodicals, Inc. J Appl Polym Sci, 2012
Effects of processing sequence on clay dispersion, phase morphology, and thermal and rheological behaviors of PA6‐HDPE‐clay nanocomposites
Authors: Zhang Mingqian , Lin Bin , Sundararaj Uttandaraman 
Published: February 2012

AbstractEffects of processing sequence on the clay dispersion, phase morphology, and thermal and rheological properties of PA6‐HDPE‐clay nanocomposites are investigated in this study. It has been found that the processing sequence plays a key role in the clay dispersion and phase morphology of the PA6‐HDPE‐clay nanocomposites. When PA6 is extruded with clay first, either in the absence or presence of HDPE, a continuous PA6 phase domain forms with exfoliated clay platelets that seem to have strong interaction with the dispersed HDPE droplets, leading to a favorable phase morphology. When HDPE is extruded with clay in the first extrusion, nonpolar HDPE molecules are sheared into the clay interlayers and form HDPE intercalated clay, and the HDPE‐clay aggregates do not have strong interactions with PA6 in the second extrusion, resulting in a phase morphology of large HDPE particles of hundreds of microns in size dispersed in PA6 phase. The DSC results indicate strong interaction between the polymers and clay; in particular, it is shown there is stabilization of γ‐form crystals by the compatibilizer (PEMA). Rheological characterization indicates that the PA6‐HDPE‐clay nanocomposites exhibit significantly high storage and complex viscosity in the entire frequency range, and the loss modulus of the nanocomposites that have an exfoliated clay dispersion is lower than that of PA6 at high frequency. The results of this study suggest two types of microstructures of the PA6‐HDPE‐clay nanocomposites are possible using different processing sequences. © 2012 Wiley Periodicals, Inc. J Appl Polym Sci, 2012
Effect of amine‐terminated butadiene‐acrylonitrile/clay combinations on the structure and properties of epoxy nanocomposites
Authors: Kelnar Ivan , Rotrekl Jakub , Kaprálková Ludmila , Hromádková Jiřina , Strachota Adam 
Published: February 2012

AbstractThe effect of the clay content and the method of its combination with amine‐terminated butadiene‐acrylonitrile (ATBN) on the structure and behavior of epoxy was studied. In the case of the simultaneous addition of both components, the increasing clay content had a very small effect on the size of the reaction‐induced phase separation‐formed particles at 5% rubber content due to predominant elimination of two major clay effects, i.e., the nucleation due to phase separation and the kinetics. As a result, both the time window between the onset of phase separation and vitrification and the viscosity at the cloud point did not change significantly. The minor change in the particle size/clay content dependences with different curing temperatures indicates that the balance between the two clay effects shifted. The corresponding study of the mechanical behavior indicated that the best balanced mechanical properties were obtained at certain clay/ATBN ratios, and thus, there was synergy between the components. Similar mechanical parameters were obtained for the application of both components in the form of ATBN/montmorillonite intercalate. © 2012 Wiley Periodicals, Inc. J Appl Polym Sci, 2012
Inexpensive and safe DNA gel electrophoresis using household materials
Authors: Ens S. , Olson A. B. , Dudley C. , Ross N. D. , Siddiqi A. A. , Umoh K. M. , Schneegurt M. A. 
Published: February 2012

AbstractGel electrophoresis is the single most important molecular biology technique and it is central to life sciences research, but it is often too expensive for the secondary science classroom or homeschoolers. A simple safe low‐cost procedure is described here that uses household materials to construct and run DNA gel electrophoresis. Plastic containers are fitted with aluminum foil electrodes and 9‐V batteries to run food‐grade agar‐agar gels using aquarium pH buffers and then stained with gentian violet. This activity was tested in a high school biology classroom with significantly positive responses on postactivity reflective surveys. The electrophoresis activity addresses several Life Science Content Standard C criteria, including aspects of cell biology, genetics, and evolution. It also can be used to teach aspects of motion and force in the physical science classroom.
A modified LC‐MS/MS method for determination of tetramethylpyrazine in microdialysis samples and calibration of home‐made linear probes
Authors: Han Jin‐Zhao , Sun Jun , Zhu Quan‐Gang , Liu Ji‐Yong , Hu Jin‐Hong , Chen Fang 
Published: February 2012

ABSTRACTTetramethylpyrazine (TMP) is one of the most important active ingredients of a Chinese herb Ligusticum wallichii Franchat, which is widely used for the treatment of cardiovascular diseases. Several factors may affect TMP exposure after topical administration, resulting in large variability and demanding further elucidation of drug distribution. This paper describes a new efficient reliable LC‐MS/MS assay for the determination of TMP in dermal microdialysate, where TMP was separated on an Agilent C18 column (3.5 µm, 100 mm × 2.1 mm i.d.) using a mixture of methanol, water and acetic acid (50:50:0.6, v/v/v) at a flow‐rate of 0.3 mL/min. The retention time was 1.89 min for TMP and 1.17 min for the internal standard (caffeine). Histological analysis confirmed an inflammatory response to the microdialysis probes and the presence of a collagen capsule. The membrane extraction efficiency (percentage delivered to the tissue space) for TMP was not altered through the implant lifetime. The validation and sample analysis results showed that the method is precise, accurate and well suited to support dermal microdialysis experiments. Copyright © 2012 John Wiley & Sons, Ltd.
Development and validation of liquid chromatography–mass spectrometric method for simultaneous determination of moxifloxacin and ketorolac in rat plasma: application to pharmacokinetic study
Authors: Raju B. , Ramesh M. , Borkar Roshan M. , Padiya Raju , Banerjee Sanjay K. , Srinivas R. 
Published: February 2012

ABSTRACTA highly sensitive, selective and rapid liquid chromatography–electrospray ionization mass spectrometry (LC‐MS) method has been developed and validated for simultaneous determination of moxifloxacin (MFX) and ketorolac (KTC) in rat plasma. Gemifloxacin (GFX) was used as an internal standard (IS). A simple protein precipitation method was used for the extraction of analytes from rat plasma. Effective chromatographic separation of MFX, KTC and GFX was achieved on a Kromasil C18 column (100 × 4.6 mm, 5 µm) using a mobile phase consisting of acetonitrile–10 mm ammonium acetate (pH 2.5)–0.1% formic acid (50:25:25) in an isocratic elution, followed by detection with positive ion electrospray ionization mass spectrometry using target ions of [M + H]+ at m/z 402 for MFX, m/z 256 for KTC and m/z 390 for GFX in selective ion recording mode. The method was validated over the calibration range of 5–100 ng/mL for MFX and 10–6000 ng/mL for KTC. The method demonstrated good performances in terms of intra‐ and inter‐day precision (0.97–5.33%) and accuracy (93.91–101.58%) for both MFX and KTC, including lower and upper limits of quantification. The recoveries from spiked control samples were >75% for MFX and >79% for KTC. The matrix effect was found to be negligible and the stability data were within acceptable limits. Further, the method was also successfully applied to a single‐dose pharmacokinetic study in rats. This method can be extended to measure plasma concentrations of both drugs in human to understand drug interaction and adverse effects. Copyright © 2012 John Wiley & Sons, Ltd.
Environmentalism at home: The process of ecological resocialization by teenagers
Authors: Gentina Elodie , Muratore Isabelle 
Published: February 2012

ABSTRACTBoth family decision making and consumer socialization studies have been focused largely on the influence of parents on children. However, because family communication is not unidirectional, studying teenagers' influence on their parents can provide a fuller understanding of consumers' resocialization processes. This study reports on 26 depth interviews conducted with teenagers and their mothers, designed to investigate how parental styles and frequency of communication between a teenager and parent affect parental ecological resocialization. Parental styles and the frequency of communication both have notable impacts on teenagers' influence on their mothers' pro‐environmental behaviors. Moreover, whereas bilateral strategies (bargaining and reasoning) are the most effective strategies used with warmer mothers, unilateral strategies (persuasion and nagging) are the least effective strategies used with cooler mothers.Copyright © 2012 John Wiley & Sons, Ltd.
Dimeric Calixarenes: A New Family of Major‐Groove Binders
Authors: Hu Wenbin , Blecking Caroline , Kralj Marijeta , Šuman Lidija , Piantanida Ivo , Schrader Thomas 
Published: February 2012

AbstractA new class of potent DNA binding agents is presented. Dimeric calix[4]arenes with cationic groups at their upper rims and flexible alkyl bridges can be synthesized from triply acyl‐protected calix[4]arene tetramines in relatively short synthetic sequences (3–5 steps). The compounds attach themselves to double‐stranded nucleic acids in a noncovalent fashion, with micro‐ to nanomolar affinities. Guanidinium headgroups with their extended hydrogen‐bonding “fingers” are more powerful than ammonium groups, and the benzylamine series is superior to the anilinium series (see below). The new ligands easily distinguish between RNA and various DNA types, and produce characteristic changes in UV/Vis, fluorescence, CD, as well as NMR spectra. Especially extended oligonucleotides of more than 100 base pairs are bound with affinities increasing from RNA (10 μMKd)<AT‐rich (1 μM)<GC‐rich DNA double strands (100–10 nM). Ethidium bromide displacement studies confirm this order. CE50values are remarkably low (1–4 μM), and are more than 300 times lower than that of spermine, which is a typical backbone binder. Stoichiometries are rather high (one calixarene dimer per two BP), suggesting a potential aggregation of bound ligands inside the major groove. Most UV/Vis melting curves display an inverted shape, and start from drastically enhanced absorption intensities for the DNA complexes. DAPI displacement studies prove that up to one equivalent of calixarene dimer can be accommodated in the dye‐loaded DNA. RNA complexation by calixarene dimers is accompanied by a drastic CD spectral transition from the typical A‐form to a perfect B‐signature, providing further experimental evidence for major‐groove binding. The orientation of the ligands can be deduced from NMR titrations and is reproduced in Monte‐Carlo simulations on 1:1 complexes in water.
Unraveling Complex Small‐Molecule Binding Mechanisms by Using Simple NMR Spectroscopy
Authors: Quinternet Marc , Starck Jean‐Philippe , Delsuc Marc‐André , Kieffer Bruno 
Published: February 2012

AbstractHeteronuclear NMR spectroscopy provides a unique way to obtain site‐specific information about protein–ligand interactions. Usually, such studies rely on the availability of isotopically labeled proteins, thereby allowing both editing of the spectra and ligand signals to be filtered out. Herein, we report that the use of the methyl SOFAST correlation experiment enables the determination of site‐specific equilibrium binding constants by using unlabeled proteins. By using the binding of L‐ and D‐tryptophan to serum albumin as a test case, we determined very accurate dissociation constants for both the high‐ and low‐affinity sites present at the protein surface. The values of site‐specific dissociation constants were closer to those obtained by isothermal titration calorimetry than those obtained from ligand‐observed methods, such as saturation transfer difference. The possibility of measuring ligand binding to serum albumin at physiological concentrations with unlabeled proteins may open up new perspectives in the field of drug discovery.
Alternative Reaction Pathways in Domino Reactions of Hydrazinediidozirconium Complexes with Alkynes
Authors: Gehrmann Thorsten , Scholl Solveig A. , Fillol Julio Lloret , Wadepohl Hubert , Gade Lutz H. 
Published: February 2012

AbstractReaction of [Zr{(NAr)2Npy}(NMe2)2] (Ar=3,5‐xylyl: 2 a, mesityl: 2 b) with one or two molar equivalents of 1,1‐diphenylhydrazine gave the mixed amido/hydrazido(1−) complex [Zr{(NMes)2Npy}(HNNPh2)(NMe2)] (3), the bis‐hydrazido complex [Zr{(NMes)2Npy}(HNNPh2)2] (4), and, in the presence of excess 4‐dimethylaminopyridine (DMAP), hexacoordinate hydrazinediidozirconium complexes [Zr{(NXyl)2Npy}(NN(Me)Ph)(dmap)2] (5) and [Zr{(NXyl)2Npy}(NNPh2)(dmap)2] (6). The reaction of one equivalent of the zirconium–hydrazinediide [Zr{(NTBS)2Npy}(NNPh2)(py)] (1) with disubstituted alkynes at RT for 16 h led to the formation of seven‐membered diazazirconacycles 7 a–7 e in high yields. Similar reactivity was observed by reacting bis‐amido complex 2 b with one molar equivalent of the corresponding alkyne and diphenylhydrazine. The formation of the seven‐membered zirconacycles implied a key coupling step that involved the alkyne and one of the aryl rings of the diphenylhydrazinediido ligand. In some cases, such as the reaction with 2‐butyne, the corresponding metallacycle was only obtained in modest yields (45 % for the reaction with 2‐butyne) and a second major product, vinylimido complex 9, was formed in almost equal amounts (42 %) by 1,2‐amination (formal insertion of the alkyne). The formation of compounds 7 a and 9 followed in part the same sequence of reaction steps and a key intermediate, an azirinido complex, represented a “bifurcation point” in the reaction network. Reaction of 1.2 equivalents of several diarylhydrazines and various substituted alkynes (1 equiv) at ambient temperature (or at 80 °C) in the presence of 10 mol % [Zr{(NXyl)2Npy}(NMe2)2] (2 a) gave the corresponding indole derivatives. On the other hand, the replacement of 1,1‐diarylhydrazines by 1‐methyl‐1‐phenyl hydrazine led to head‐to‐head cis‐1,3‐enynes in good yields.
Enantioselective disposition of omeprazole, pantoprazole, and lansoprazole in a same Brazilian subjects group
Authors: Cassiano Neila M. , Oliveira Regina V. , Bernasconi Gilberto C.R. , Cass Quezia B. 
Published: February 2012

AbstractThis work reports the result of the enantioselective disposition of pantoprazole, omeprazole, and lansoprazole in a same group of Brazilian health subjects. Ten nongenotyped healthy subjects were used for this study. Each subject received a single oral dose of 80 mg of pantoprazole, 40 mg of omeprazole, and 30 mg of lansoprazole, and the plasma concentrations of the enantiomers were measured for 8 h postdose. For pantoprazole and omeprazole, among the 10 volunteers investigated, only one volunteer (Subject # 4) presented higher plasma concentrations of the (+)‐enantiomer than those of (−)‐enantiomer. Nevertheless, the area under the concentration–time curve of the (+)‐lansoprazole was higher than those the (−)‐lansoprazole for all subjects. The comparison of proton pump inhibitors' enantiomers disposition from a single group volunteer demonstrated that pantoprazole and omeprazole can be used to differentiate extensive from poor CYP2C19 metabolizer while lansoprazole cannot do it. Chirality, 2012. © 2012 Wiley Periodicals, Inc.
Simultaneous determination of diastereoisomeric and enantiomeric impurities in (1R, 3R)‐1‐(1,3‐benzodioxol‐5‐yl)‐2‐(chloroacetyl)‐2,3,4,9‐tetrahydro‐1h‐pyrido[3,4‐b]indole‐3‐carboxylic acid methyl ester a key intermediate of tadalafil by chiral high‐performance liquid chromatography
Authors: Yu Lushan , Jin Yiping , Jianzhou  , Ye Chun , Wang Jinzhao , Hu Gongyun , Zeng Su 
Published: February 2012

Abstract(1R, 3R)‐1‐(1, 3‐Benzodioxol‐5‐yl)‐2‐(chloroacetyl)‐2, 3, 4, 9‐tetrahydro‐1H‐pyrido[3, 4‐b]indole‐3‐carboxylic acid methyl ester ((1R, 3R)‐Cpe) is a key intermediate used in the synthesis of tadalafil, a highly selective phosphodiesterase type‐5 inhibitor. In the present study, a chiral high‐performance liquid chromatography method was developed for the simultaneous determination of diastereoisomeric and enantiomeric impurities in (1R, 3R)‐Cpe. Separation was performed on an Ultron ES‐OVM chiral column (150 mm × 4.6 mm, 5 μm,) with a guard column at a column temperature of 30°C. The gradient elution used was acetonitrile (solvent A) and water (solvent B), and the following elution program was used at a flow rate of 1 ml/min: 0–5 min (80% B), 5–10 min (80–60% B), 10–12 min (60% B). The detection wavelength was 220 nm. The four isomers of Cpe were baseline separated in 12 min. The results of method validation indicated that the method was specific and sensitive and was suitable for the quality control of diastereoisomeric and enantiomeric impurities in (1R, 3R)‐Cpe. Chirality, 2012. © 2012 Wiley Periodicals, Inc.
Stereoselective intramolecular cyclization to 4‐(hydroxymethyl)‐3‐(1H‐indolyl)oxazolidin‐2‐ones
Authors: Chiummiento Lucia , Funicello Maria , Tramutola Francesco 
Published: February 2012

AbstractA simple high‐yield three‐steps route to optically active 4‐hydroxymethyl‐3‐(1H‐indolyl)oxazolidin‐2‐ones from (S)‐glycidol is described. The key intermediates (R)‐oxiran‐2‐ylmethyl 1H‐indol‐4/‐5‐ylcarbamates are obtained in high yields from (S)‐glycidol. These are readily transformed to oxazolidin‐2‐ones, very interesting building blocks in drug synthesis. Chirality, 2012. © 2012 Wiley Periodicals, Inc.
Spectral Characterization and Antimicrobial Activity of Some Schiff Bases Derived from 4‐Chloro‐2‐aminophenol and Various Salicylaldehyde Derivatives
Authors: Cinarli Adem , Gürbüz Demet , Tavman Aydin , Birteksöz A. Seher 
Published: February 2012

AbstractA series of N‐(5‐chloro‐2‐hydroxyphenyl)‐(3/4/5‐substituted)‐salicylaldimines (I–XI) were synthesized using appropriate synthetic route. Their structures were characterized by FT‐IR, UV‐Visible, ESI‐MS, 1H and 13C NMR spectroscopic techniques and analytical methods. The crystal structure of N‐(5‐chloro‐2‐hydroxyphenyl)‐5‐bromosalicylaldimine (V) was determined by X‐ray diffraction at room temperature. Relationship between the melting points and the structures of the compounds was examined. Antimicrobial activity of the compounds was evaluated against Staphylococcus aureus, Staphylococcus epidermidis, Escherichia coli, Klebsiella pneumoniae, Pseudomonas aeruginosa, Proteus mirabilis. Antifungal activities were reported for Candida albicans. Schiff bases showed considerable antimicrobial activity against S. aureus, S. epidermidis and C. albicans. N‐(5‐Chloro‐2‐hydroxyphenyl)‐3‐hydroxy‐salicylaldimine (II) has the broadest and highest antimicrobial activity according to the others.
Hydrothermal Preparation, Crystal Structure and Properties of {[ZnTCPP(EtOH)][Zn(en)]2}n(EtOH)2n with a Novel Two‐Dimensional (2‐D) Motif
Authors: Chen Wentong 
Published: February 2012

AbstractA novel zinc porphyrin, {[ZnTCPP(EtOH)][Zn(en)]2}n(EtOH)2n (1) (TCPP=meso‐tetra(4‐carboxyphenyl)‐porphyrin; EtOH=ethanol; en=ethylenediamine) was obtained via a hydrothermal reaction and characterized by single‐crystal X‐ray diffraction. Complex 1 crystallizes in the space group C2/c of the monoclinic system with eight formula units in a cell: a=32.465(4) Å, b=10.527(3) Å, c=31.845(3) Å, β=95.524(6) °, V=10832(4) Å3, C58H57N8O11Zn3, Mr=1238.23, Dc=1.518 g/cm3, S=1.005, µ(Mo Kα) =1.388 mm−1, F(000) =5112, R=0.0650 and wR=0.1574. Complex 1 features a novel 2‐D layered motif. The spectral data of UV‐vis, FT‐IR and fluorescence are reported.