bluuebunny/crossref_metadata_2025_split huggingface dataset:
Network‐ and attribute‐based classifiers can prioritize genes and pathways for autism spectrum disorders and intellectual disability
Authors: Kou Yan , Betancur Catalina , Xu Huilei , Buxbaum Joseph D , Ma'ayan Avi 
Published: April 2012

AbstractAutism spectrum disorders (ASD) are a group of related neurodevelopmental disorders with significant combined prevalence (∼1%) and high heritability. Dozens of individually rare genes and loci associated with high‐risk for ASD have been identified, which overlap extensively with genes for intellectual disability (ID). However, studies indicate that there may be hundreds of genes that remain to be identified. The advent of inexpensive massively parallel nucleotide sequencing can reveal the genetic underpinnings of heritable complex diseases, including ASD and ID. However, whole exome sequencing (WES) and whole genome sequencing (WGS) provides an embarrassment of riches, where many candidate variants emerge. It has been argued that genetic variation for ASD and ID will cluster in genes involved in distinct pathways and protein complexes. For this reason, computational methods that prioritize candidate genes based on additional functional information such as protein–protein interactions or association with specific canonical or empirical pathways, or other attributes, can be useful. In this study we applied several supervised learning approaches to prioritize ASD or ID disease gene candidates based on curated lists of known ASD and ID disease genes. We implemented two network‐based classifiers and one attribute‐based classifier to show that we can rank and classify known, and predict new, genes for these neurodevelopmental disorders. We also show that ID and ASD share common pathways that perturb an overlapping synaptic regulatory subnetwork. We also show that features relating to neuronal phenotypes in mouse knockouts can help in classifying neurodevelopmental genes. Our methods can be applied broadly to other diseases helping in prioritizing newly identified genetic variation that emerge from disease gene discovery based on WES and WGS. © 2012 Wiley Periodicals, Inc.
Interferometric determination of the birefringence of thermo‐tropic polyester fibers and its copolymers of structure (PCPT‐co‐CPO)
Authors: Hamza A. A. , Sokkar T. Z. N. , El‐Bakary M. A. 
Published: April 2012

AbstractThe aim of this study is to determine the optical anisotropy of three different samples of thermo‐tropic polyester fibers of structure Poly(chloro‐1,4‐phenylene terephthalate‐co‐4,4′‐oxybisbenzoate) and its copolymers (PCPT‐co‐CPO). The molar fraction of disruptor units ([CPO]) ranging from 0.40 to 0.60. The variable wavelength interferometry, VAWI technique, was used to determine the birefringence and spectral dispersion properties of such of these fibers. The Cauchy's dispersion formula and its related constants were determined using the spectral dispersion curves of the birefringence. A mathematical formula was derived for direct measurement of the birefringence profile of highly birefringent polymer fibers using VAWI technique. The effect of varying copolymer molar fractions of the three samples of thermo‐tropic polyester fibers was investigated throughout the spectral dispersion curves, the Cauchy's formula constants and the birefringence profiles. Microinterferograms are given for illustration. © 2012 Wiley Periodicals, Inc. J Appl Polym Sci, 2012
Rheological and thermal properties of polylactide/organic montmorillonite nanocomposites
Authors: Wang Biao , Wan Tong , Zeng Wei 
Published: April 2012

AbstractPolylactide/organic montmorillonite (PLA/OMMT) nanocomposites were prepared by melt‐compounding technique. Dynamic and steady rheological properties, as well as dynamic mechanical and thermal stability of the nanocomposites were evaluated using various characterization tools. It was found that the rheological behaviors of nanocomposites were related with both temperatures and OMMT loadings. At low OMMT loadings, the steady‐shear viscosities and the complex viscosities showed a Newtonian plateau in low frequency region or low shear rate region. At high OMMT loadings, strong shear‐thinning behaviors were observed in the full range of frequencies or shear rates. The complex viscosities and the storage modulus gradually decreased in the full frequency region with increasing temperature. The results demonstrated that rheology of PLA/OMMT nanocomposites was mainly sensitive to OMMT loadings. The relaxation time spectrum indicated that the relaxation of the PLA macromolecular chains was strongly confined by the layers of OMMT. The mechanical properties measured by dynamic mechanical analysis (DMA) and tensile test, and thermal stability of PLA/OMMT nanocomposites were improved at low OMMT loadings. © 2012 Wiley Periodicals, Inc. J Appl Polym Sci, 2012
Improvement in toughness and heat resistance of poly(lactic acid)/polycarbonate blend through twin‐screw blending: Influence of compatibilizer type
Authors: Wang Y. , Chiao S. M. , Hung T.‐F. , Yang S.‐Y. 
Published: April 2012

AbstractThe thermal mechanical properties and morphological changes of modified poly(lactic acid) (PLA) and polycarbonate (PC) polymer blends based on the equal weight fraction of each component were investigated. Several blend samples were prepared by melt processing with a twin screw extruder using both poly(butylene succinate‐co‐lactate) (PBSL) and epoxy (EP) as compatibilizers for the PLA/PC binary system. Differential scanning calorimetry (DSC) of PLA/PBSL and PC/PBSL binary blends showed that individual components were immiscible. Scanning electron microscopy (SEM) analysis of these blends revealed the domain size of PBSL was ∼ 0.5–1 μm in PLA/PBSL blend, and reduced to around 0.1 μm in PC/PBSL blend. The notched Izod impact strength (IS) of PLA/PC/PBSL ternary blends increased with PBSL content up to 10 phr PBSL due to enhanced interfacial interaction and proper domain size of the dispersed phase on the basis of DMA, DSC, and SEM analysis. The heat deflection temperature (HDT) showed a maximum at 5 phr PBSL, and it dropped with increasing PBSL content which is a ductile polymer. However, the HDT of PLA/PC/EP ternary blends increased considerably with 10 phr EP due to rigid interphase formation, and it increased further with 1 phr quaternary amine catalyst, however, the IS dropped nearly the same as that of unmodified PLA/PC blend. To take advantage of the two compatibilizers, PBSL and EP were added to the PLA/PC blend at 10 phr each plus 1 phr catalyst and both IS and HDT were improved significantly over unmodified PLA/PC pair. © 2012 Wiley Periodicals, Inc. J Appl Polym Sci, 2012
The effects of neutralization on the dynamic rheology of polyelectrolyte microgel mucilages
Authors: Harrington John C. 
Published: April 2012

AbstractThe dynamic rheological properties of a model poly(acrylic acid) microgel mucilage in the close‐packed concentrated region (reduced concentration cQ > 1) were evaluated as a function of the degree of neutralization, α = [NaOH]/[COOH]. As the parent microgel is neutralized, up to an order of magnitude increase is observed in the swelling ratio Q, dynamic modulus, and yield properties. Four regions were observed where the dynamic rheological properties exhibited a different power law dependence with increasing α. The dynamic yield strain does not change remarkably with increased neutralization, whereas the dynamic yield stress increases more than 10‐fold. This supports a mechanism where the yield strain depends on geometric considerations, whereas the yield stress reflects the stress required to force microgels past adjacent microgels. A linearity observed between modulus and dynamic yield stress with increased neutralization suggests a concerted expansion and affect on the rheological properties with the microgel core and emanating polymer chains. © 2012 Wiley Periodicals, Inc. J Appl Polym Sci, 2012
Enhancement of rubber–carbon black interaction by amine‐based modifiers and their effect on viscoelastic and mechanical properties
Authors: Hatthapanit Kannika , Sae‐Oui Pongdhorn , Sombatsompop Narongrit , Sirisinha Chakrit 
Published: April 2012

AbstractImprovement in rubber–filler interaction is desirable for rubber technologists due to its influence on numerous properties of rubber compounds and vulcanizates. In practice, there are coupling agents commercially available for the improvement of silica–rubber interaction. Surprisingly, only a limited number of works have been focused on interaction enhancement between carbon black (CB) and rubber. Thus, in the research presented in this article, attempts to improve interaction between ethylene–propylene rubber (EPM) and carbon black (CB) have been made by the use of either p‐phenylene diamine (p‐PDA) or N‐tert‐butyl‐2‐benzothiazole sulfenamide (TBBS) as an interaction modifier. Bound rubber content (BRC), used as an indicator for rubber–filler interaction and viscoelastic behavior of CB masterbatches and CB‐filled EPM compounds were investigated and correlated. Results from the measurement of BRC in the CB masterbatches revealed that p‐PDA was more effective in the enhancement of rubber–CB interaction than TBBS. Such improved interaction led to a decrease in magnitude of CB percolation (Payne effect). In respect of viscoelastic behavior, the interaction modifiers affected G′ only in the small strain region (<1% strain) by slightly raising the value of G′. However, as strain was increased (≥1%), G′ for all compounds was coincident implying a disruption of weak interaction between CB and rubber. In the case of EPM vulcanizates, p‐PDA yielded greater enhancement in mechanical properties than TBBS. The results of BRC, viscoelastic behavior, and mechanical properties were apparently in good agreement. © 2012 Wiley Periodicals, Inc. J Appl Polym Sci, 2012
Synthesis of poly(vinyl ether) optical plastics by cationic copolymerization of tricyclodecane vinyl ether with functionalized vinyl ethers
Authors: Namikoshi Takeshi , Hashimoto Tamotsu , Suzuki Yuka , Urushisaki Michio , Sakaguchi Toshikazu 
Published: April 2012

AbstractCationic copolymerizations of tricyclodecane vinyl ether (8‐vinyloxytricyclo[5.2.1.02,6]decane, TCDVE, with vinyl ethers containing a functional group such as urethane linkage, acrylate group, and methacrylate group, as a comonomer were carried out to obtain poly(vinyl ether) plastics for optical use. With the hydrogen chloride/zinc chloride initiating system, the homopolymerization rates of these monomers were markedly different from each other, but the reaction rates of each monomer in the copolymerizations were almost identical. All the obtained copolymers displayed unimodal and narrow molecular weights distributions (MWDs). These facts show that the copolymers are most likely to have randomness with respect to monomer sequences. The copolymers obtained with BF3OEt2 as an initiator, in contrast, had relatively high molecular weights (Mn = 21,900 − 37,200) and broad MWDs (Mw/Mn = 4.10 − 6.31), which are rather suitable for molding of plastic materials. For the copolymer with the pendant urethane linkages, the existence of hydrogen bonding via urethane linkages among the polymer chains was detected. For the copolymers with the pendant acrylate or methacrylate group, exothermic peaks due to cross‐linking reaction were observed at around 150°C on the heating scan during the DSC measurement and therefore, they formed cross‐linked polymers during the molding process above this temperature. Both the hydrogen bonds and the cross‐linkages provide the copolymers with good processability and hardness. The optical properties of these copolymers were excellent and similar to those of poly(TCDVE). The transparency (86–91%) and refractive index (1.53–1.54) of these molded samples were similar to those of conventional optical plastics such as poly(methyl methacrylate) (PMMA) and polycarbonate (PC), whereas their specific gravity (1.08–1.12) and water absorption (0.08–0.16%) were significantly lower than those of PMMA and PC. The thermal decomposition temperatures of all the copolymers were 298–369°C, indicating their good thermal stability. © 2012 Wiley Periodicals, Inc. J Appl Polym Sci, 2012
Synthesis, characterization, and swelling studies of guar gum‐based pH, temperature, and salt responsive hydrogels
Authors: Dharela Rohini , Raj Lok , Chauhan Ghanshyam S. 
Published: April 2012

AbstractStimuli‐sensitive hydrogels constitute an important class of materials. In the present study, a simple method was used to induce temperature sensitivity and salt responsiveness in the guar gum (GG)‐based hydrogel, which was synthesized by grafting GG with acrylic acid (AAc) using simultaneous gamma radiation technique. The carboxyl groups of poly(AAc) were partially modified to amide groups to generate a network that has pH‐sensitive poly (AAc) and temperature‐sensitive poly(N‐isopropyl acrylamide). Swelling behavior of hydrogels was studied at various temperature, pH, and the salt sensitivity of the hydrogels was studied by swelling the hydrogels in 0.9% NaCl solution. Characterization of these networks was carried out by X‐ray diffraction, FTIR spectroscopy, and scanning electron microscopy to get evidence of the network formation and postreaction carried on the network. The hydrogel synthesized by the postreaction exhibited pH, temperature, and salt sensitivity, while the precursor hydrogel exhibited good salt tolerance. © 2012 Wiley Periodicals, Inc. J Appl Polym Sci, 2012
Naphthalene and Anthracene Complexes Sandwiched by Two {(Cp*)FeI} Fragments: Strong Electronic Coupling between the FeI Centers
Authors: Hatanaka Tsubasa , Ohki Yasuhiro , Kamachi Takashi , Nakayama Tomonori , Yoshizawa Kazunari , Katada Motomi , Tatsumi Kazuyuki 
Published: April 2012

AbstractThe reactions of the half‐sandwich iron(II) complex [FeCl(Cp*)(tmeda)] (1; Cp*=η5‐C5Me5, TMEDA=N,N,N′,N′‐tetramethylethylenediamine) with potassium naphthalenide or potassium anthracenide gave the diamagnetic complexes [(Cp*)Fe(μ‐polyarene)Fe(Cp*)] (polyarene=naphthalene (2), anthracene (3a)), which have two {(Cp*)Fe} units bound to opposite faces of the polyarene. One of two {(Cp*)Fe} units in 3a is located over the central ring of anthracene while the other is positioned over an outer ring. The {(Cp*)Fe} unit bound to the central ring of 3a migrates to the outer ring upon heating in the solid state to give the isomer 3b. The electrochemical potential separations between successive one‐electron redox events for complexes 2 and 3b are large. The mixed valence complexes [[2]+]+ and [[3b]+]+ were synthesized by chemical oxidation. The mixed‐valence complex [[3b]+]+ is charge delocalized on the Mössbauer timescale at 78 K, and its absorption spectrum shows an intervalence charge‐transfer band. Complex [[2]+]+ exhibits two absorption bands in the near‐IR region and a slightly broadened doublet in the Mössbauer spectrum. DFT calculations were carried out to examine the electronic structures of these dinuclear iron(I) complexes to elucidate the factors responsible for their diamagnetism and to determine the degree of charge delocalization in the mixed‐valence complexes.
Fluorescent Silver Nanoclusters as Effective Probes for Highly Selective Detection of Mercury(II) at Parts‐per‐Billion Levels
Authors: Wang Chuanxi , Xu Lin , Wang Yu , Zhang Dan , Shi Xiaodong , Dong Fengxia , Yu Kui , Lin Quan , Yang Bai 
Published: April 2012

AbstractFacile preparation of water‐soluble and fluorescent Ag nanoclusters (NCs) stabilized by glutathione at room temperature is described. Although the glutathione layer was introduced to prevent the silver nanoparticles from decomposition and increase their water solubility, this simple surface optimization resulted in surprisingly high efficiency of selective Hg2+ sensing, where the limit of detection (LOD) was as low as 10−10 M (0.02 ppb, 0.1 nM). This result revealed a simple and practical strategy for Hg2+ detection using fluorescent Ag NCs as sensor probe, with the lowest detecting limits reported to date.
Memoryless SMC Design Methods for Stochastic Delay Systems
Authors: Huang Lirong 
Published: April 2012

AbstractRecently, the sliding mode control (SMC) method has been extended to accommodate stochastic systems. Particularly, restrictive assumption on the structure of the control systems have been removed and a practical SMC design method for stochastic systems has been presented. This paper continues this line of research and studies the SMC methods for stochastic systems with state delay in diffusion. Both delay‐independent and delay‐dependent approaches are investigated. Essentially, this paper studies SMC design methods with memoryless controllers for time delay systems, which has been a problem in the past decades.
Study of the interaction between sodium salts of (2E)‐3‐(4'‐halophenyl)prop‐2‐enoyl sulfachloropyrazine and bovine serum albumin by fluorescence spectroscopy
Authors: Luo Xuan , Du Chuanrong , Wei Jinrui , Deng Jiang , Lin Yijie , Lin Cuiwu 
Published: April 2012

ABSTRACTThree sodium salts of (2E)‐3‐(4'‐halophenyl)prop‐2‐enoyl sulfachloropyrazine (CCSCP) were synthesized and their structures were determined by 1H and 13C NMR, LC‐MS and IR. The binding properties between CCSCPs and bovine serum albumin (BSA) were studied using fluorescence spectroscopy in combination with UV–vis absorbance spectroscopy. The results indicate that the fluorescence quenching mechanisms between BSA and CCSCPs were static quenching at low concentrations of CCSCPs or combined quenching (static and dynamic) at higher CCSCP concentrations of 298, 303 and 308 K. The binding constants, binding sites and corresponding thermodynamic parameters (ΔH, ΔS, ΔG) were calculated at different temperatures. All ΔG values were negative, which revealed that the binding processes were spontaneous. Although all CCSCPs had negative ΔH and positive ΔS, the contributions of ΔH and ΔS to ΔG values were different. When the 4'‐substituent was fluorine or chlorine, van der Waals interactions and hydrogen bonds were the main interaction forces. However, when the halogen was bromine, ionic interaction and proton transfer controlled the overall energetics. The binding distances between CCSCPs and BSA were determined using the Förster non‐radiation energy transfer theory and the effects of CCSCPs on the conformation of BSA were analyzed by synchronous fluorescence spectroscopy. Copyright © 2012 John Wiley & Sons, Ltd.
Thermogravimetry‐FTIR Analysis of Pyrolysis of Pyrolytic Lignin Extracted from Bio‐Oil
Authors: Jiang X. , Ellis N. , Shen D. K. , Jiang J. , Dai W. , Zhong Z. 
Published: April 2012

AbstractPyrolytic lignin is attributed to the instability of bio‐oil but is a potential chemical material. To improve the stability and increase the economic viability of bio‐oil, high‐ and low‐molecular‐mass pyrolytic lignin (HMM and LMM) were obtained using solvent extraction. The microstructure of pyrolytic lignin was examined by Fourier transform infrared spectrometry (FTIR). The dissimilar absorption intensities indicated the different content of corresponding functional groups in HMM and LMM. The pyrolysis behavior of HMM and LMM was studied by thermogravimetry coupled with FTIR. Obviously pyrolytic lignin undergoes three weight loss stages.
Dynamic Simulation of a Pilot Scale Vacuum Gas Oil Hydrocracking Unit by the Space‐Time CE/SE Method
Authors: Sadighi S. , Ahmad A. , Shirvani M. 
Published: April 2012

AbstractThis work introduces a modified space‐time conservation element/solution element (CE/SE) method for the simulation of the dynamic behavior of a pilot‐scale hydrocracking reactor. With this approach, a four‐lump dynamic model including vacuum gas oil (VGO), middle distillate, naphtha and gas is solved. The proposed method is capable of handling the stiffness of the partial differential equations resulting from the hydrocracking reactions. To have a better judgment, the model is also solved by the finite difference method (FDM), and the results from both approaches are compared. Initially, the absolute average deviation of the cold dynamic simulation using the CE/SE approach is 8.98 %, which is better than that obtained using the FDM. Then, the stability analysis proves that for achieving an appropriate response from the dynamic model, the Courant number, which is a function of the time step size, mesh size and volume flow rate through the catalytic bed, should be less than 1. Finally, it is found that, following a careful selection of these parameters, the CE/SE solutions to the hydrocracking model can produce higher accuracy than the FDM results.
Synthesis of High‐Purity Methylal via Extractive Catalytic Distillation
Authors: Liu H. , Gao H. , Ma Y. , Gao Z. , Eli W. 
Published: April 2012

AbstractAn integrated continuous process, which combines catalytic distillation and extractive distillation in one column, is investigated for the synthesis of high‐purity methylal from methanol and formalin in the presence of a cation‐exchange resin catalyst. A feed with methanol:formaldehyde 2:1 molar ratio is chosen to evaluate the effects of operating parameters, such as extractant feeding position, ratio of extractant to feed, reflux ratio, and reboiler temperature, on the continuous synthesis of methylal. Under the optimum operating conditions and with water as extractant, the extractive catalytic distillation process operated continuously, producing a methylal purity of 98.7 % (H2O: < 1.30 %) with 98.0 % formaldehyde conversion.
Enhancement Factor for Gas Absorption in a Finite Liquid Layer. Part 2: First‐ and Second‐Order Reactions in a Liquid in Plug Flow
Authors: Yue J. , Rebrov E. V. , Schouten J. C. 
Published: April 2012

AbstractGas absorption accompanied by an irreversible chemical reaction of first‐order or second‐order in a liquid layer of finite thickness in plug flow has been investigated. The analytical solution to the enhancement factor has been derived for the case of a first‐order reaction, and the exact solution to the enhancement factor has been obtained via numerical simulation for the case of a second‐order reaction. The enhancement factor in both cases is presented as a function of the Fourier number and tends to deviate from the prediction of the existing enhancement factor expressions based on the penetration theory at Fourier numbers above 0.1 due to the absence of a well‐mixed bulk region in the liquid layer. Approximate enhancement factor expressions that describe the analytical and exact solutions with an accuracy of 5 % and 9 %, respectively, have been proposed.