bluuebunny/crossref_metadata_2025 huggingface dataset:
Taylor's Meshless Petrov-Galerkin Method for the Numerical Solution of Burger's Equation by Radial Basis Functions
Authors: Sarboland Maryam , Aminataei Azim
Published: February 2012

During the last two decades, there has been a considerable interest in
developing efficient radial basis functions (RBFs) algorithms for solving
partial differential equations (PDEs). In this paper, we introduce the Petrov-Galerkin method for the numerical solution of the one-dimensional nonlinear
Burger equation. In this method, the trial space is generated by the
multiquadric (MQ) RBF and the test space is generated by the compactly
supported RBF. In the time discretization of the equation, the Taylor series
expansion is used. This method is applied on some test experiments,
and the numerical results have been compared with the exact solutions.
The , , and root-mean-square (RMS) errors in the solutions show the efficiency and the accuracy of the method.
Risk Factors at Birth for Permanent Obstetric Brachial Plexus Injury and Associated Osseous Deformities
Authors: Nath Rahul K. , Kumar Nirupama , Avila Meera B. , Nath Devin K. , Melcher Sonya E. , Eichhorn Mitchell G. , Somasundaram Chandra
Published: February 2012

Purpose. To examine the most prevalent risk factors found in patients with permanent obstetric brachial plexus injury (OBPI) to identify better predictors of injury. Methods. A population-based study was performed on 241 OBPI patients who underwent surgical treatment at the Texas Nerve and Paralysis Institute. Results. Shoulder dystocia (97%) was the most prevalent risk factor. We found that 80% of the patients in this study were not macrosomic, and 43% weighed less than 4000 g at birth. The rate of instrument use was 41% , which is 4-fold higher than the 10% predicted for all vaginal deliveries in the United States. Posterior subluxation and glenoid version measurements in children with no finger movement at birth indicated a less severe shoulder deformity in comparison with those with finger movement. Conclusions. The average birth weight in this study was indistinguishable from the average birth weight reported for all brachial plexus injuries. Higher birth weight does not, therefore, affect the prognosis of brachial plexus injury. We found forceps/vacuum delivery to be an independent risk factor for OBPI, regardless of birth weight. Permanently injured patients with finger movement at birth develop more severe bony deformities of the shoulder than patients without finger movement.
Discourse and Reflection Competencies Developed by Student Teachers through Repeated Children’s Book Read Alouds: A Multiple Case Study
Authors: Tal Clodie
Published: February 2012

This paper describes the development of discourse and reflection competencies by three early-age student teachers through repeated children’s book reading (RCBR) in small, heterogeneous groups. The students were enrolled in a four-track, early-education preparation program at Levinsky College of Education in Israel. Research based on a multiple-case-study methodology, focused on an analysis of the students’ interpretation of and reflections on the transcripts of the discourse throughout the three years of their fieldwork. Findings indicate that, over the three years, all three students relaxed their control of the discourse, allowing for more continuous literary discourse among the children. Differences in the developmental trajectories of the three students were manifested in the extent to which literary understanding and distinctive interpretations by the children were emphasized. Over the three years, all three students also developed a genuine concern for the children’s well-being and participation in the group. Analysis of the students’ protocols yielded a tentative formulation of milestones in the development of discourse and reflection competencies through teaching preparation studies.
Evaluating the Impact of Faculty-Embedded Tutor Training Program Factors on Perceived Future Training Needs Using Structural Equation Modeling
Authors: Calma Angelito , Vista Alvin
Published: February 2012

This study examines participating tutors’ four-year feedback on a faculty-embedded tutor training program using structural equation modeling. Data from 333 tutors across all four departments in the Faculty of Business and Economics was used. Results indicate that the quality of the training session directly influences tutors’ perceived need for further skills development training and that the partial effect of facilitator effectiveness on the latter is not significant. This indicates that tutors’ indication of their future need for relevant skills in teaching and use of technology is highly influenced by the quality of the training session and much less on the facilitator’s effectiveness in delivering it. This has implications for both the way the tutor training program is perceived and the redevelopment of the questionnaire in the future.
Does Number of Ports Affect Outcomes in Patients Undergoing Laparoscopic Pyloromyotomy? Retrospective Chart-Review Study
Authors: Abbas Tariq O. , Ismail Adel
Published: February 2012

Background. Although open Ramstedt's pyloromyotomy is the gold standard for the surgical management of infantile hypertrophic pyloric stenosis, laparoscopic pyloromyotomy has been found highly successful. Various factors, however, can affect the outcomes of surgical interventions in these patients. We observed a relationship between the number of ports used and outcome in patients undergoing laparoscopic pyloromyotomies. Methods. We retrospectively assessed the medical records of selected group of patients who underwent laparoscopic pyloromyotomy in our institution. Factors analyzed included operation time, length of hospital stay, postoperative complications, and time to postoperative full feeding. Results. We observed failure of myotomy in both two patients who underwent laparoscopic pyloromyotomy using only two working ports compared to successful myotomies in the remaining patients. Conclusion. Laparoscopy provides good results in terms of intraoperative exposure and cosmesis. However, standardized surgical technique with two working ports is advisable, and this can trigger further research to be ascertained.
Photoproduction of Hydrogen under Different Cultural Conditions by Alginate Immobilized Rhodopsedomonas palustris KU003
Authors: Merugu Ramchander , Rudra M. P. Pratap , Nageshwari B. , Rao A. Sridhar , Ramesh D.
Published: February 2012

Rhodopsedomonas palustris KU003 was immobilized in alginate and its hydrogen producing abilities were assessed. Maximum hydrogen production took place between 120 and 144 hrs in most carbon sources. Alginate immobilization induced higher amount of hydrogen in malate-, lactate-, and succinate-containing medium in Rps. palustris. Incubation period of 120 hrs was optimum for production of hydrogen. pH 7.0±0.4 was optimum for production of hydrogen. L-glutamic acid was a good nitrogen source for production of hydrogen. Glucose and sorbitol were poorer substrates as they induced only limited amount of hydrogen. Anaerobic light induced comparatively more amount of hydrogen in the bacteria under investigation than in anaerobic dark. Thiourea was a poor nitrogen source for the production of hydrogen by Rps. palustris. Results of the above are discussed in the light of existing literature in this communication.
Predicting Wine Consumption Based on Previous ‘Drinking History’ and Associated Behaviours
Authors: Melo Lauro , Evans Greg , Pollès Nicolas Le , Delahunty Conor , Cox David N.
Published: February 2012

Associative learning processes may be related to and shape consumers’ current consumption and preferences. Past consumption, experiences and behaviour with food and beverage products are likely to have an important role. Data were collected in order to predict current wine consumption based on past experiences. Longitudinal quantitative data (N=564) on past alcoholic beverage consumption behaviour (‘drinking history’) was collected retrospectively. Results of multiple linear regression analysis showed that previous ‘drinking history’ explained 40-70% of the variance in later wine consumption patterns and that red wine consumption is a more complex behaviour compared to white wine consumption. In addition, belief-evaluations towards intrinsic product characteristics are more likely to be drivers of red wine consumption (p<0.05), but not of white wine. Results indicated how past behaviour and experiences influence current behaviour, and identified possibilities for influencing specific wine consumption patterns.
Trial Design: How Do We Figure Out if an AED Works
Authors: French Jacqueline A.
Published: February 2012

Regulatory trials rigorously test the ability of a treatment to impact a known outcome, such as seizure frequency, as measured in well-controlled trials. Such outcomes are called efficacy outcomes. Sometimes these measured outcomes do not reflect the true effectiveness of the drug in the clinic. This article provides some examples of how this can happen and also discusses trials intended to measure effectiveness.
Inflammation and Epilepsy: The Foundations for a New Therapeutic Approach in Epilepsy?
Authors: Walker Lauren , Sills Graeme J.
Published: February 2012

Emerging data from experimental epilepsy models and resected human brain tissue support the proposed involvement of innate immune system activation and consequent inflammation in epilepsy. Key mediators of this process include interleukin-1β, high-mobility group box protein 1 (HMGB1), and Toll-like receptor (TLR) signaling. These recent findings constitute the basis for a novel avenue of drug development in epilepsy, one that is not only distinct from previous approaches but uniquely based on sound neurobiological evidence.
Capture and Qualitative Analysis of the Activated Fc Receptor Complex from Live Cells
Authors: Florentinus Angelica K. , Bowden Peter , Barbisan Veronica , Marshall John
Published: February 2012

This unit describes the isolation of activated Fc receptor complexes from RAW 264.7 macrophages using live‐cell affinity receptor chromatography (LARC). The Fc receptor complex is activated and captured by IgG‐coated microbeads on the surface of live macrophages. After the cells are disrupted, the receptor complexes are isolated by washing and sucrose gradient ultracentrifugation. Soluble proteins associated with the receptor complex are then eluted from the beads using a stepwise series of salt buffers and aqueous acetonitrile. The eluted proteins and the residual insoluble proteins on the beads can then be digested with trypsin and subjected to liquid chromatography, electrospray ionization, and tandem mass spectrometry (LC‐ESI‐MS/MS). Controls include IgG‐coated beads incubated with crude cell lysates or growth medium and beads coated with oxidized LDL or bovine serum albumin. Using this method, proteins present in IgG‐FcR complexes can be distinguished from those in control scavenger receptor complexes (oxLDL or BSA). Thus, LARC is capable of detecting specific members of IgG receptor supramolecular complexes.
Overexpression of Membrane Proteins Using Pichia pastoris
Authors: Bornert Olivier , Alkhalfioui Fatima , Logez Christel , Wagner Renaud
Published: February 2012

Among the small number of expression systems validated for the mass production of eukaryotic membrane proteins (EMPs), the methylotrophic yeast Pichia pastoris stands as one of the most efficient hosts. This system has been used to produce crystallization‐grade proteins for a variety of EMPs, from which high‐resolution 3D structures have been determined. This unit describes a set of guidelines and instructions to overexpress membrane proteins using the P. pastoris system. Using a G protein–coupled receptor (GPCR) as a model EMP, these protocols illustrate the necessary steps, starting with the design of the DNA sequence to be expressed, through the preparation and analysis of samples containing the corresponding membrane protein of interest. In addition, recommendations are given on a series of experimental parameters that can be optimized to substantially improve the amount and/or the functionality of the expressed EMPs.
Purification of the Human G Protein−Coupled Receptor Adenosine A2aR in a Stable and Functional Form Expressed in Pichia pastoris
Authors: Singh Shweta , Zhang Minghao , Bertheleme Nicolas , Strange Philip G. , Byrne Bernadette
Published: February 2012

The isolation of membrane proteins with the aim of producing highly pure, homogeneous, stable, and functional material remains challenging, and it is often necessary to develop protein‐specific purification protocols by trial and error. One key tool that is required in the development of a suitable protocol is a functional assay. This unit describes a range of different protocols for isolation of the human adenosine A2a receptor (A2aR). These protocols show the importance of developing a robust method for comparing the quality of protein obtained by a combination of biophysical analyses including SDS‐PAGE, analytical size‐exclusion chromatography, and functional analysis. One of the keys to isolating and maintaining a functional receptor, found not only in the optimal protocol described here but in other published examples, is that there should be no more than two chromatographic steps.
Direct Low‐Temperature Integration of Nanocrystalline Diamond with GaN Substrates for Improved Thermal Management of High‐Power Electronics
Authors: Goyal Vivek , Sumant Anirudha V. , Teweldebrhan Desalegne , Balandin Alexander A.
Published: February 2012

A novel approach for the direct synthetic diamond–GaN integration via deposition of the high‐quality nanocrystalline diamond films directly on GaN substrates at temperatures as low as 450–500 °C is reported. The low deposition temperature allows one to avoid degradation of the GaN quality, which is essential for electronic applications The specially tuned growth conditions resulted in the large crystalline diamond grain size of 100–200 nm without coarsening. Using the transient “hot disk” measurements it is demonstrated that the effective thermal conductivity of the resulting diamond/GaN composite wafers is higher than that of the original GaN substrates at elevated temperatures. The thermal crossover point is reached at ≈95–125 °C depending on the thickness of the deposited films. The developed deposition technique and obtained thermal characterization data can lead to a new method of thermal management of the high power GaN electronic and optoelectronic devices.
Oriented Growth of Al2O3:ZnO Nanolaminates for Use as Electron‐Selective Electrodes in Inverted Polymer Solar Cells
Authors: Cheun Hyeunseok , Fuentes‐Hernandez Canek , Shim Jaewon , Fang Yunnan , Cai Ye , Li Hong , Sigdel Ajaya K. , Meyer Jens , Maibach Julia , Dindar Amir , Zhou Yinhua , Berry Joseph J. , Bredas Jean‐Luc , Kahn Antoine , Sandhage Kenneth H. , Kippelen Bernard
Published: February 2012

Atomic layer deposition is used to synthesize Al2O3:ZnO(1:x) nanolaminates with the number of deposition cycles, x, ranging from 5 to 30 for evaluation as optically transparent, electron‐selective electrodes in polymer‐based inverted solar cells. Al2O3:ZnO(1:20) nanolaminates are found to exhibit the highest values of electrical conductivity (1.2 × 103 S cm−1; more than six times higher than for neat ZnO films), while retaining a high optical transmittance (≥80% in the visible region) and a low work function (4.0 eV). Such attractive performance is attributed to the structure (ZnO crystal size and crystal alignment) and doping level of this intermediate Al2O3:ZnO film composition. Polymer‐based inverted solar cells using poly(3‐hexylthiophene) (P3HT):phenyl‐C61‐butyric acid methyl ester (PCBM) mixtures in the active layer and Al2O3:ZnO(1:20) nanolaminates as transparent electron‐selective electrodes exhibit a power conversion efficiency of 3% under simulated AM 1.5 G, 100 mW cm−2 illumination.
Respiratory health status of children from two different air pollution exposure settings of Sri Lanka: A cross‐sectional study
Authors: Nandasena Sumal , Wickremasinghe Ananda R. , Sathiakumar Nalini
Published: February 2012

Background

Health effects due to air pollution is becoming a major public health problem with growing traffic congestion and establishment of small‐ to medium‐scale industries with poor emission controls in urban cities of Sri Lanka.

Methods

Respiratory health status of 7‐ to 10‐year‐old children in two settings (urban and semi‐urban) was assessed using standard questionnaires. Information on socio‐demographic characteristics and potential determinants of both outdoor and indoor air pollutants exposure levels were also obtained. The respiratory health status of children in the two settings was compared.

Results

We found that children from the urban setting had a significantly higher prevalence of wheezing within the last 12 months as compared to children from the semi‐urban setting (adjusted OR = 2.02; 95% CI = 1.13–3.59). Indoor cooking with unclean fuels was a risk factor for wheezing independent of the area of residence (adjusted OR = 1.57; 95% CI = 1.01–2.46).

Conclusions

Poor indoor air quality was a major determinant of wheezing for the overall study group. Children from urban areas of Sri Lanka have poorer respiratory health status as compared to children from semi‐urban areas. Besides poor outdoor air quality, this difference may also be due to other unexplored factors which may differ between urban and semi‐urban areas in Sri Lanka. Am. J. Ind. Med. 55:1137–1145, 2012. © 2012 Wiley Periodicals, Inc.
Synergistic effects of central nervous system‐directed gene therapy and bone marrow transplantation in the murine model of infantile neuronal ceroid lipofuscinosis
Authors: Macauley Shannon L. , Roberts Marie S. , Wong Andrew M. , McSloy Francesca , Reddy Adarsh S. , Cooper Jonathan D. , Sands Mark S.
Published: February 2012

Objective:

Infantile neuronal ceroid lipofuscinosis (INCL) is an inherited childhood neurodegenerative disorder caused by the loss of palmitoyl protein thioesterase‐1 (PPT1) activity. Affected children suffer from blindness, epilepsy, motor dysfunction, cognitive decline, and premature death. The Ppt1−/− mouse shares the histological and clinical features of INCL. Previous single‐therapy approaches using small molecule drugs, gene therapy, or neuronal stem cells resulted in partial histological correction, with minimal improvements in motor function or lifespan. Here, we combined central nervous system (CNS)‐directed adeno‐associated virus (AAV)2/5‐mediated gene therapy with bone marrow transplantation (BMT) in the INCL mouse.

Methods:

At birth, Ppt1−/− and wild‐type mice were given either intracranial injections of AAV2/5‐PPT1 or bone marrow transplantation, separately as well as in combination. To assess function, we measured rotorod performance monthly as well as lifespan. At terminal time points, we evaluated the therapeutic effects on several INCL‐specific parameters, such as cortical thickness, autofluorescent accumulation, and glial activation. Finally, we determined levels of PPT1 enzyme activity and bone marrow engraftment in treated mice.

Results:

AAV2/5‐mediated gene therapy alone resulted in significant histological correction, improved motor function, and increased lifespan. Interestingly, the addition of BMT further increased the lifespan of treated mice and led to dramatic, sustained improvements in motor function. These data are truly striking, given that BMT alone is ineffective, yet it synergizes with CNS‐directed gene therapy to dramatically increase efficacy and lifespan.

Interpretation:

AAV2/5‐mediated gene therapy in combination with BMT provides an unprecedented increase in lifespan as well as dramatic improvement on functional and histological parameters. ANN NEUROL 2012;
Mutations in CIZ1 cause adult onset primary cervical dystonia
Authors: Xiao Jianfeng , Uitti Ryan J. , Zhao Yu , Vemula Satya R. , Perlmutter Joel S. , Wszolek Zbigniew K. , Maraganore Demetrius M. , Auburger Georg , Leube Barbara , Lehnhoff Katja , LeDoux Mark S.
Published: February 2012

Objective:

Primary dystonia is usually of adult onset, can be familial, and frequently involves the cervical musculature. Our goal was to identify the causal mutation in a family with adult onset, primary cervical dystonia.

Methods:

Linkage and haplotype analyses were combined with solution‐based whole‐exome capture and massively parallel sequencing in a large Caucasian pedigree with adult onset, primary cervical dystonia to identify a cosegregating mutation. High‐throughput screening and Sanger sequencing were completed in 308 Caucasians with familial or sporadic adult onset cervical dystonia and matching controls for sequence variants in this mutant gene.

Results:

Exome sequencing led to the identification of an exonic splicing enhancer mutation in exon 7 of CIZ1 (c.790A>G, p.S264G), which encodes CIZ1, Cip1‐interacting zinc finger protein 1. CIZ1 is a p21Cip1/Waf1‐interacting zinc finger protein expressed in brain and involved in DNA synthesis and cell‐cycle control. Using a minigene assay, we showed that c.790A>G altered CIZ1 splicing patterns. The p.S264G mutation also altered the nuclear localization of CIZ1. Screening in subjects with adult‐onset cervical dystonia identified 2 additional CIZ1 missense mutations (p.P47S and p.R672M).

Interpretation:

Mutations in CIZ1 may cause adult onset, primary cervical dystonia, possibly by precipitating neurodevelopmental abnormalities that manifest in adults and/or G1/S cell‐cycle dysregulation in the mature central nervous system. ANN NEUROL 2012
Changes in interictal spike features precede the onset of temporal lobe epilepsy
Authors: Chauvière Laetitia , Doublet Thomas , Ghestem Antoine , Siyoucef Safia S. , Wendling Fabrice , Huys Raoul , Jirsa Viktor , Bartolomei Fabrice , Bernard Christophe
Published: February 2012

Objective:

One cornerstone event during epileptogenesis is the occurrence of the first spontaneous seizure (SZ1). It is therefore important to identify biomarkers of the network alterations leading to SZ1. In experimental models of temporal lobe epilepsy (TLE), interictal‐like activity (ILA) precedes SZ1 by several days. The goal of this study was to determine whether ILA dynamics bore electrophysiological features signaling the impeding transition to SZ1.

Methods:

Experimental TLE was triggered by pilocarpine‐ or kainic acid‐induced status epilepticus (SE). Continuous electroencephalographic recordings were performed 7 days before and up to 40 days after SE. The amplitude and duration of the spike and wave components of interictal spikes were analyzed.

Results:

Two types of interictal spikes were distinguished: type 1, with a spike followed by a long‐lasting wave, and type 2, with a spike without wave. The number, amplitude, and duration of type 1 spikes started to decrease, whereas the number of type 2 spikes increased, several days before SZ1, reaching their minimum/maximum values just before SZ1.

Interpretation:

The change in ILA pattern could constitute a predictive biomarker of SZ1. The mechanisms underlying these dynamic modifications and their functional impact are discussed in the context of the construction of an epileptogenic network. ANN NEUROL 2012;71:805–814
pH‐sensitive drug delivery systems by radical polymerization of gelatin derivatives
Authors: Altimari I. , Spizzirri U. G. , Iemma F. , Curcio M. , Puoci F. , Picci N.
Published: February 2012

The objective of this article was the synthesis and characterization of protein‐based microspheres able to respond to pH changes using methacrylated gelatin hydrolyzed, methacrylic acid sodium salt and N,N′‐methylenebisacrylamide as protein monomer, pH‐responsive functional monomer, and cross‐linking agent, respectively. Reverse‐phase suspension polymerization as synthetic technique was adopted and, varying the molar ratios of the reagents in the polymerization feed, three different hydrogels were obtained. These were characterized by scanning electron microscopy and dimensional analyses to verify the spherical shape and the dimensional distribution. Then, Fourier transform infrared spectra and water uptake experiments at acidic and neutral pH were performed, in order to verify the copolymerization of all the components and the pH‐responsivity, respectively. Finally, after loading of the microspheres with a common nonsteroidal anti‐inflammatory drug, such as diclofenac sodium salt, drug release experiments in simulated gastric fluid (pH 1) and in simulated intestinal fluid (pH 7) were performed, confirming the suitability of the obtained materials as drug delivery devices. © 2012 Wiley Periodicals, Inc. J Appl Polym Sci, 2012
The correlation between crystal structure and nucleation efficiency of a lithium (I) complex on isotactic polypropylene
Authors: Shi Yaoqi , Xin Zhong
Published: February 2012

In this work, 2,2′‐methylene‐bis‐(4,6‐di‐t‐butylphenylene)phosphate lithium (NA03) was synthesized and its crystal structural characterization was obtained by single crystal X‐ray diffusion. The crystal data showed geometrically the cell parameter of NA03 matched with isotactic polypropylene (iPP), the a cell dimension was about two times to the value of cell edge of (010)iPP. The disregistry was 2.89%, which was under the upper limit between the lattice matching spacing of host and guest crystals. Then NA03 was proved to be a highly effective nucleating agent for iPP through studying crystallization behaviors, crystallization morphologies, and mechanical properties of iPP nucleated with NA03. The outstanding nucleation efficiency could be attributed to the lattice matching between nucleating agent and iPP. © 2012 Wiley Periodicals, Inc. J Appl Polym Sci, 2012
Calcium ion‐sensor based on polyindole‐camphorsulfonic acid composite
Authors: Pandey Prem C. , Chauhan Dheeraj S. , Prakash Rajiv
Published: February 2012

We hereby report a new conducting polymer‐based calcium ion exchanger, namely polyindole‐camphorsulfonic acid (PIn‐CSA) composite, and its application in the development of calcium ion‐selective electrode. The processable PIn‐CSA composite is developed by homogenizing equimolar ratio of chemically synthesized PIn and CSA in tetrahydrofuran. The homogenized PIn‐CSA composite is cast over the Pt disc electrode under ambient conditions. The ion‐sensor exhibits near Nernstian response for Ca2+ over a concentration range of 2 × 10−5 to 1 × 10−2
M with a response time of 8 s. The sensor can be used for a period of over 3 months without any major drift in its baseline potential. The useful pH range of the ion‐sensor was found out to be 4.0−8.0. © 2012 Wiley Periodicals, Inc. J Appl Polym Sci, 2012
Preparative scale isocratic chromatographic purification of a polyethylene mono‐alcohol accompanied by high resolution evaluation of molecular weight distribution
Authors: MacDonald Iain I. , Sherrington David C.
Published: February 2012

A simple preparative‐scale adsorption chromatographic method for separating a commercially available polyethylene mono‐alcohol from its non‐functional polyethylene impurities has been established using silica as the stationary phase and toluene at 75°C as the isocratic eluant. Characterization of the chromatographic fractions by 1H‐NMR spectroscopy also provided unexpected comprehensive information on the molecular structure and molar mass distribution of the polyethylene mono‐alcohol. © 2012 Wiley Periodicals, Inc. J Appl Polym Sci, 2012
Formation of thermally induced craze and prevention by using infrared radiation annealing method
Authors: Kim Seong Yun , Kim Sung Ho , Pak Seong Yeol , Youn Jae Ryoun
Published: February 2012

It is important to study the residual stress distribution and craze formation of transparent overmolded polymeric parts, because the overmolding can cause stress concentration near the interface region and the craze can be generated by the concentrated stress. Thermally induced crazing of an electric appliances product overmolded by using a transparent polymer is discussed in this study. Craze criterion was determined to be 20 MPa at the temperature higher than 60°C by using mechanical characteristic analysis of the polymeric material. Crazes were observed in the product annealed at over 60°C due to thermal residual stresses generated by the temperature difference between the surface and inside of the part upon surface heating. However, they were not observed in the product annealed by infrared radiation (IR) at over 60°C due to simultaneous heating throughout the thickness of the product. The numerical residual stress results were in good agreement with the experimental results, indicating that overmolding process, thermoviscoelastic stress development of the polymeric part, and IR annealing process were considered properly in the three‐dimensional numerical analysis. © 2012 Wiley Periodicals, Inc. J Appl Polym Sci, 2012
Synthesis and characterization of fluorine‐containing polyester based on phthalic anhydride and tetrafluoropropyl glycidyl ether
Authors: Jin Yunquan , Shentu Baoqing , Weng Zhixue
Published: February 2012

Fluorine‐containing polyester (FPE) was synthesized by the reaction of phthalic anhydride, epichlorohydrin, and 2,2,3,3‐tetrafluoropropyl glycidyl ether (TFGE) at the catalysis of tetraethylammonium bromide using 1,4‐butanediol as the initiator. The structure of FPE was characterized by 1H NMR and 19F NMR, and the result showed that the fluorine in TFGE was introduced into FPE. Fluorine content in FPE was determined by oxygen‐flask combustion and fluoride selective electrode. It was found that fluorine content in FPEs increased with the increase of TFGE content. The wettability of water and oil on the cured coating based on FPE was investigated by contact angle meter. Contact angles of water and diiodomethane on the cured coatings first increased with the increase of the fluorine content in FPEs and then remained constant. The X‐ray photoelectron spectroscopic analysis showed that the F/C molar ratio on the coatings surface was much higher than the overall F/C molar ratio, which indicated that fluoroalkyl groups in FPEs had enriched on the coatings surface. © 2012 Wiley Periodicals, Inc. J Appl Polym Sci, 2012
Influence of acrylic fibers geometry on the mechanical performance of fiber‐cement composites
Authors: Pakravan H. R. , Jamshidi M. , Latif M. , Pacheco‐Torgal F.
Published: February 2012

This article analyses the influence of acrylic fibers shape on the flexural behavior of cement composite. The fibers differ in their cross‐sectional shapes due to the spinning process (wet‐spun and dry‐spun). The fibers were characterized by optical microscopy, and the shape factors were calculated on the basis of their geometric characteristics. Results showed that both types of acrylic fiber remarkably improved the flexural performance of the composites. Wet‐spun acrylic fibers lead to high flexural strength and toughness. It was found that by increasing the fibers' shape factor by a factor of 10%, flexural strength and toughness increase to 26% and 23%, respectively. © 2012 Wiley Periodicals, Inc. J Appl Polym Sci, 2012
Preparation and characterization of chemically modified Jute–Coir hybrid fiber reinforced epoxy novolac composites
Authors: Saw Sudhir Kumar , Sarkhel Gautam , Choudhury Arup
Published: February 2012

In this study, the effects of fiber surface modification and hybrid fiber composition on the properties of the composites is presented. Jute fibers are cellulose rich (>65%) modified by alkali treatment, while the lignin rich (>40%) coconut coir fibers consist in creating quinones by oxidation with sodium chlorite in the lignin portions of fiber and react them with furfuryl alcohol (FA) to create a coating around the fiber more compatible with the epoxy resins used to prepare polymer composites. The maximum improvement on the properties was achieved for the hybrid composite containing the jute–coir content of 50 : 50. The tensile and flexural strength are recorded as 25 and 63 MPa at modified coir fiber content of 50 vol %, respectively, which are 78% and 61% higher than those obtained for unmodified fiber reinforced composites, i.e., tensile and flexural strength are 14 and 39 MPa, respectively. The reinforcement of the modified fiber was significantly enhanced the thermal stability of the composites. SEM features correlated satisfactorily with the mechanical properties of modified fiber reinforced hybrid composites. SEM analysis and water absorption measurements have confirmed the FA‐grafting and shown a better compatibility at the interface between chemically modified fiber bundles and epoxy novolac resin. Hailwood–Horrobin model was used to predict the moisture sorption behavior of the hybrid composite systems. © 2012 Wiley Periodicals, Inc. J Appl Polym Sci, 2012
An evaluation of classification models for question topic categorization
Authors: Qu Bo , Cong Gao , Li Cuiping , Sun Aixin , Chen Hong
Published: February 2012

We study the problem of question topic classification using a very large real‐world Community Question Answering (CQA) dataset from Yahoo! Answers. The dataset comprises 3.9 million questions and these questions are organized into more than 1,000 categories in a hierarchy. To the best knowledge, this is the first systematic evaluation of the performance of different classification methods on question topic classification as well as short texts. Specifically, we empirically evaluate the following in classifying questions into CQA categories: (a) the usefulness of n‐gram features and bag‐of‐word features; (b) the performance of three standard classification algorithms (naive Bayes, maximum entropy, and support vector machines); (c) the performance of the state‐of‐the‐art hierarchical classification algorithms; (d) the effect of training data size on performance; and (e) the effectiveness of the different components of CQA data, including subject, content, asker, and the best answer. The experimental results show what aspects are important for question topic classification in terms of both effectiveness and efficiency. We believe that the experimental findings from this study will be useful in real‐world classification problems.
Disordered Porphyrin Metabolism: A Potential Biological Marker for Autism Risk Assessment
Authors: Heyer Nicholas J. , Echeverria Diana , Woods James S.
Published: February 2012

Autism (AUT) is a complex neurodevelopmental disorder that, together with Asperger's syndrome and Pervasive Developmental Disorder‐Not Otherwise Specified (PDD‐NOS), comprises the expanded classification of autistic spectrum disorder (ASD). The heterogeneity of ASD underlies the need to identify biomarkers or clinical features that can be employed to identify meaningful subtypes of ASD, define specific etiologies, and inform intervention and treatment options. Previous studies have shown that disordered porphyrin metabolism, manifested principally as significantly elevated urinary concentrations of pentacarboxyl (penta) and coproporphyrins, is commonly observed among some children with ASD. Here, we extend these observations by specifically evaluating penta and coproporphyrins as biological indicators of ASD among 76 male children comprising 30 with validated AUT, 14 with PDD‐NOS, and 32 neurotypical (NT) controls. ASD children (AUT and PDD‐NOS) had higher mean urinary penta (P < 0.006) and copro (P < 0.006) concentrations compared with same‐aged NT children, each characterized by a number of extreme values. Using Receiver Operating Characteristic curve analysis, we evaluated the sensitivity and specificity of penta, copro, and their combined Z‐scores in ASD detection. The penta sensitivity was 30% for AUT and 36% for PDD‐NOS, with 94% specificity. The copro sensitivity was 33% and 14%, respectively, with 94% specificity. The combined Z‐score measure had 33% and 21% sensitivity for AUT and PDD‐NOS, respectively, with 100% specificity. These findings demonstrate that porphyrin measures are strong predictors of both AUT and PDD‐NOS, and support the potential clinical utility of urinary porphyrin measures for identifying a subgroup of ASD subjects in whom disordered porphyrin metabolism may be a salient characteristic. Autism Res 2012,••: ••–••. © 2012 International Society for Autism Research, Wiley Periodicals, Inc.
Small‐scale processing of biomass for biorefinery
Authors: Bruins Marieke E. , Sanders Johan P.M.
Published: February 2012

The current fossil‐based economy is moving towards a more bio‐based economy. To enable this transition, many different processes for biorefinery are being developed. Small‐scale biorefinery processes can be beneficial, not only socially and ecologically, but also economically. The main motivation for small‐scale biorefinery is local re‐use of materials, like water, minerals, organic matter, CO2, and heat. This minimizes costs for recycling and transport. A smart and integrated process design can beat the advantages of economy of scale applied in large‐scale processes. Examples of two fully operational small‐scale systems that produce ethanol and starch are given to illustrate our theory. Specific design rules for small‐scale biorefineries are defined. The focus in design for small‐scale processes should be on minimizing capital costs. Moreover, it is shown that separation of relatively simple pre‐processing at small decentralized and more capital‐intensive processing at large centralized factories, respectively, is advantageous. Integration with a biogas and combined heat and power (CHP) unit will furthermore allow usage of residual material to produce energy needed in the rest of the process. © 2012 Society of Chemical Industry and John Wiley & Sons Ltd
Optimum scale of feedstock processing for renewable diesel production
Authors: Miller Patrick , Sultana Arifa , Kumar Amit
Published: February 2012

Vegetable oil from canola and camelina can be converted to renewable diesel via hydroprocessing. In this study, a techno‐economic model was developed to estimate the cost of vegetable oil production and the production plant economic optimum size using canola or camelina as feedstock. Minimum, average, and maximum yield cases were considered. If canola and camelina meal can be sold for $0.26/kg, in the average yield case the optimum plant size and minimum cost of oil production is 140 million L/year and $0.63/L for a canola‐press plant, 190 million L/year and $0.55/L for a canola‐solvent plant, 90 million L/year and $0.28/L for a camelina‐press plant, and 120 million L/year and $0.28/L for a camelina‐solvent plant. If camelina meal cannot be sold, the cost of oil from camelina‐press and solvent plants at their optimum sizes is $1.04/L and $0.82/L, respectively. Field cost is the largest cost component and it makes up 75–85% of the total oil production cost. A sensitivity analysis found that field cost and meal price have the greatest effect on oil cost; the optimum size of the plant, on the other hand, is most sensitive to transportation, capital, and operating and maintenance costs. © 2012 Society of Chemical Industry and John Wiley & Sons, Ltd
G Protein‐Coupled Receptors: From Structure to Function. Edited by Jesús Giraldo and Jean‐Philippe Pin.
Authors: Gawrisch Klaus
Published: February 2012

RSC, Cambridge 2011, XXXV+511 pp., hardcover £ 169.99.—ISBN 978‐1‐84973‐183‐6
Catalytic Abatement of Nitrous Oxide Coupled with Functionalization of C1–C3 Alkanes
Authors: Kondratenko V. A. , Hahn T. , Kondratenko E. V.
Published: February 2012

Mechanistic aspects of selective reduction of N2O by C1–C3 alkanes resulting in N2, olefins, and hydrogen over CaO‐based catalysts were studied by combining catalytic tests at ambient pressure with transient analysis of products in high vacuum with microsecond time resolution. In the frame of this reaction, oxygen species formed from N2O participate in selective (olefin production) and nonselective (COx formation) heterogeneous interactions. The coverage by these species and the interplay of exothermic heterogeneous (N2O decomposition and oxidative alkane conversions) and endothermic homogeneous (thermal nonoxidative dehydrogenation and cracking of hydrocarbons) reaction pathways determine the overall olefin selectivity.
Cyanation of Aryl Bromides with K4[Fe(CN)6] Catalyzed by Dichloro[bis{1‐(dicyclohexylphosphanyl)piperidine}]palladium, a Molecular Source of Nanoparticles, and the Reactions Involved in the Catalyst‐Deactivation Processes
Authors: Gerber Roman , Oberholzer Miriam , Frech Christian M.
Published: February 2012

Dichloro[bis{1‐(dicyclohexylphosphanyl)piperidine}]palladium [(P{(NC5H10)(C6H11)2})2PdCl2] (1) is a highly active and generally applicable CC cross‐coupling catalyst. Apart from its high catalytic activity in Suzuki, Heck, and Negishi reactions, compound 1 also efficiently converted various electronically activated, nonactivated, and deactivated aryl bromides, which may contain fluoride atoms, trifluoromethane groups, nitriles, acetals, ketones, aldehydes, ethers, esters, amides, as well as heterocyclic aryl bromides, such as pyridines and their derivatives, or thiophenes into their respective aromatic nitriles with K4[Fe(CN)6] as a cyanating agent within 24 h in NMP at 140 °C in the presence of only 0.05 mol % catalyst. Catalyst‐deactivation processes showed that excess cyanide efficiently affected the molecular mechanisms as well as inhibited the catalysis when nanoparticles were involved, owing to the formation of inactive cyanide complexes, such as [Pd(CN)4]2−, [(CN)3Pd(H)]2−, and [(CN)3Pd(Ar)]2−. Thus, the choice of cyanating agent is crucial for the success of the reaction because there is a sharp balance between the rate of cyanide production, efficient product formation, and catalyst poisoning. For example, whereas no product formation was obtained when cyanation reactions were examined with Zn(CN)2 as the cyanating agent, aromatic nitriles were smoothly formed when hexacyanoferrate(II) was used instead. The reason for this striking difference in reactivity was due to the higher stability of hexacyanoferrate(II), which led to a lower rate of cyanide production, and hence, prevented catalyst‐deactivation processes. This pathway was confirmed by the colorimetric detection of cyanides: whereas the conversion of β‐solvato‐α‐cyanocobyrinic acid heptamethyl ester into dicyanocobyrinic acid heptamethyl ester indicated that the cyanide production of Zn(CN)2 proceeded at 25 °C in NMP, reaction temperatures of >100 °C were required for cyanide production with K4[Fe(CN)6]. Mechanistic investigations demonstrate that palladium nanoparticles were the catalytically active form of compound 1.
Lithol Red: A Systematic Structural Study on Salts of a Sulfonated Azo Pigment
Authors: Kennedy Alan R. , Stewart Heather , Eremin Katherine , Stenger Jens
Published: February 2012

The first systematic series of single‐crystal diffraction structures of azo lake pigments is presented (Lithol Red with cations=MgII, CaII, SrII, BaII, NaI and CdII) and includes the only known structures of non‐Ca examples of these pigments. It is shown that these commercially and culturally important species show structural behaviour that can be predicted from a database of structures of related sulfonated azo dyes, a database that was specifically constructed for this purpose. Examples of the successful structural predictions from the prior understanding of the model compounds are that 1) the Mg salt is a solvent‐separated ion pair, whereas the heavier alkaline‐earth elements Ca, Sr and Ba form contact ion pairs, namely, low‐dimensional coordination complexes; 2) all of the Lithol Red anions exist as the hydrazone tautomer and have planar geometries; and 3) the commonly observed packing mode of alternating inorganic layers and organic bilayers is as expected for an ortho‐sulfonated azo species with a planar anion geometry. However, the literature database of dye structures has no predictive use for organic solvate structures, such as that of the observed Na Lithol Red DMF solvate. Interestingly, the Cd salt is isostructural with the Mg salt and not with the Ca salt. It is also observed that linked eight‐membered [MOSO]2 rings are the basic coordination motif for all of the known structures of Ca, Sr and Ba salts of sulfonated azo pigments in which competing carboxylate groups are absent.
Isolation, Structure Determination, and Synthesis of Allo‐RA‐V and Neo‐RA‐V, RA‐Series Bicyclic Peptides from Rubia cordifolia L.
Authors: Hitotsuyanagi Yukio , Odagiri Masumi , Kato Saori , Kusano Jun‐ichi , Hasuda Tomoyo , Fukaya Haruhiko , Takeya Koichi
Published: February 2012

Two bicyclic hexapeptides, allo‐RA‐V (4) and neo‐RA‐V (5), and one cyclic hexapeptide, O‐seco‐RA‐V (6), were isolated from the roots of Rubia cordifolia L. Their gross structures were elucidated on the basis of spectroscopic analysis and X‐ray crystallography of compound 5. The absolute stereochemistry of compounds 4 and 5 were established by their total syntheses, and the absolute stereochemistry of compound 6 by chemical correlation with deoxybouvardin (3). Comparison of the 3D structures of highly active RA‐VII (1) with less‐active compounds 4 and 5 suggests that the orientation of the Tyr‐5 and/or Tyr‐6 phenyl rings plays a significant role in their biological activity. The isolation of peptides 4–6, along with compound 3, and the comparison of their structures seem to indicate that peptide 6 may be the common precursor to bicyclic peptides 3–5 in the plant.
Low‐lying energy isomers and global minima of aqueous nanoclusters: Structures and spectroscopic features of the pentagonal dodecahedron (H2O)20 and (H3O)+(H2O)20
Authors: Xantheas Sotiris S.
Published: February 2012

We rely on a hierarchical approach to identify the low‐lying isomers and corresponding global minima of the pentagonal dodecahedron (H2O)20 and the H3O+(H2O)20 nanoclusters. Initial screening of the isomers is performed using classical interaction potentials, namely the Transferable Interaction 4‐site Potential (TIP4P), the Thole‐Type Flexible Model, versions 2.0 (TTM2‐F) and 2.1 (TTM2.1‐F) for (H2O)20 and the Anisotropic Site Potential (ASP) for H3O+(H2O)20. The nano‐networks obtained with those potentials were subsequently refined at the density functional theory (DFT) with the Becke‐3‐parameter Lee–Yang–Parr (B3LYP) functional and at the second order Møller–Plesset perturbation (MP2) levels of theory. For the pentagonal dodecahedron (H2O)20 it was found that DFT (B3LYP) and MP2 produced the same global minimum. However, this was not the case for the H3O+(H2O)20 cluster, for which MP2 produced a different network for the global minimum when compared to DFT (B3LYP). The low‐lying networks of H3O+(H2O)20 correspond to structures having 9 ‘free’ OH bonds and the hydronium ion on the surface of the nanocluster. The IR spectra of the various networks are further analysed in the OH stretching (‘fingerprint’) region and the various bands are assigned to structural arrangements of the underlying hydrogen bonding network. © 2012 Canadian Society for Chemical Engineering