bluuebunny/crossref_metadata_2025 huggingface dataset:
An Efficient Catalytic Method for Regioselective Sulfenylation of Electron‐Rich Aza‐Aromatics at Room Temperature
Authors: Marcantoni Enrico , Cipolletti Roberto , Marsili Laura , Menichetti Stefano , Properzi Roberta , Viglianisi Caterina
Published: November 2012

Electron‐rich aza‐aromatic compounds such as indoles and pyrroles are structures of particular interest and importance in organic chemistry. A useful methodology for the regioselective introduction of the sulfenyl group into electron‐rich aza‐aromatics using S‐alkyl‐ and S‐arylthiophthalimides as sulfenylating agents is described. Catalytic amounts of CeCl3·7H2O/NaI are crucial to the promotion of this regioselective carbon–sulfur‐bond‐forming electrophilic aromatic substitution reaction. The reaction occurred under mild conditions, and the products were obtained in good to excellent yields. The method represents an efficient preparation of sulfenyl aza‐aromatics, which are useful intermediates for important organic transformations, due to the great importance of functionalized indoles among natural compounds and pharmaceutical products.
A Sensitive Simultaneous Determination of Epinephrine and Piroxicam Using a Glassy Carbon Electrode Modified with a Nickel Hydroxide Nanoparticles/Multiwalled Carbon Nanotubes Composite
Authors: Babaei Ali , Sohrabi Masoud , Afrasiabi Mohammad
Published: November 2012

The electrooxidation of epinephrine (EPI) and piroxicam (PRX) has been investigated by application of nickel hydroxide nanoparticles/multiwalled carbon nanotubes composite electrode (MWCNTs‐NHNPs/GCE) using cyclic voltammetry (CV), differential pulse voltammetry (DPV) and chronoamperometry (CA) methods. The modified electrode showed suitable electrochemical responses for EPI and PRX determination. Under the optimum conditions the electrode provides a linear response versus EPI and PRX concentrations in the range of 1–220 µM and 0.7–75 µM, respectively using the DPV method. Linear responses versus EPI and PRX concentrations in the range of 1–1000 µM and 1–800 µM, respectively, were obtained using the CA method. The modified electrode was used for determination of EPI and PRX in human urine with satisfactory results.
Strategy for the creation of clinical grade hESC line banks that HLA‐match a target population
Authors: Jacquet Laureen , Stephenson Emma , Collins Robert , Patel Heema , Trussler Jane , Al‐Bedaery Roaa , Renwick Pamela , Ogilvie Caroline , Vaughan Robert , Ilic Dusko
Published: November 2012

Here, we describe a pre‐derivation embryo haplotyping strategy that we developed in order to maximize the efficiency and minimize the costs of establishing banks of clinical grade hESC lines in which human leukocyte antigen (HLA) haplotypes match a significant proportion of the population. Using whole genome amplification followed by medium resolution HLA typing using PCR amplification with sequence‐specific primers (PCR‐SSP), we have typed the parents, embryos and hESC lines from three families as well as our eight clinical grade hESC lines and shown that this technical approach is rapid, reliable and accurate. By employing this pre‐derivation strategy where, based on HLA match, embryos are selected for a GMP route on day 3–4 of development, we would have drastically reduced our cGMP laboratory running costs.
Promises and problems for the new paradigm for risk assessment and an alternative approach involving predictive systems models
Authors: Forbes Valery E. , Calow Peter
Published: November 2012

The need for cost-effective risk assessment of chemicals is leading to the development of a reductionist paradigm that tries to assess impacts on humans and ecosystems from molecular changes. However, the biggest challenge for this paradigm comes from the emergence of properties that arise out of the interactions of the parts that are not included and yet which are key for assessing likely impacts. Although identifying key events and adverse outcome pathways can shed light on the involvement of important metabolic processes in toxicity, this does not mean that particular molecular initiating events are likely to be robust or accurate predictors of impacts that matter. There are even greater challenges for the new paradigm applied to ecological systems than to human health because of the need to link across more levels of biological organization. The present study argues for a predictive systems approach that makes the linkages through systems models in a mechanistic way that allows for emergence and that also has the potential for reducing the costs and use of animals in ecological risk assessments. Environ. Toxicol. Chem. 2012; 31: 2663–2671. © 2012 SETAC
Synthesis and Photoluminescent Properties of New Aza‐Indenofluorene Derivatives
Authors: Jung Su Jin , Kim Won Sam , Park Byung Sun , Lee Jae Kyun , Park Jung Hwan , Choi Kihang , Lee So Ha
Published: November 2012

The carbazole derivatives 5a–h were synthesized by four steps involving Suzuki coupling of boronic acid 1 with 1‐bromo‐2‐nitrobenzene, followed with the Cadogan ring closure reaction. Their UV and photoluminescence properties are also reported, and the compounds showed medium‐to‐strong photoluminescence between 370 and 446 nm at the concentration of 1 × 10−5 M CH2Cl2. Also, the X‐ray structure of the carbazole derivative 6 was elucidated by an X‐ray diffractometer. © 2012 Wiley Periodicals, Inc. Heteroatom Chem 24:18–24, 2013; View this article online at wileyonlinelibrary.com. DOI 10.1002/hc.21058
An Ageing‐in‐Place Service Innovation Model by Using TRIZ Methodology
Authors: Chen Chi‐Kuang , Shie An‐Jin , Wang Kuo‐Ming , Yu Chang‐Hsi
Published: November 2012

Most of the research on the concept of “ageing‐in‐place” has focused on surveys of the needs of senior citizens and/or the quality of the services delivered to them. Service innovation for ageing‐in‐place has received little research attention, however. The present study addresses this issue by proposing a service innovation model for ageing‐in‐place. In this model, a TRIZ methodology is used to develop the parameter correspondence table, which integrates TRIZ contradiction parameters and ageing‐in‐place service‐quality determinants, to deal with service contradiction. A TRIZ contradiction matrix is then applied to generate inventive solutions for the innovation of the ageing‐in‐place service system. A case study is also conducted to demonstrate the applicability of the proposed model.
‘Eine fast fünf Jahrzehnte dauernde gemeinsame ‘Fahrt ins Blaue”
Authors: Beck Albert K.
Published: November 2012

Die Zukunft soll man nicht voraussehen wollen, sondern möglich machen Antoine de Saint Exupéry
Toward the Synthesis of Modified Carbohydrates by Conjugate Addition of Propane‐1,3‐dithiol to α,β‐Unsaturated Ketones
Authors: Valdersnes Stig , Apeland Ingrid , Flemmen Guri , Sydnes Leiv K.
Published: November 2012

Selected 5‐substituted derivatives 4 of 1,1‐diethoxy‐5‐hydroxypent‐3‐yn‐2‐one were treated with propane‐1,3‐dithiol under various conditions. The unprotected hydroxy ketones underwent cyclization during the dithiol addition and gave the corresponding 3‐(diethoxymethyl)‐2‐oxa‐6,10‐dithiaspiro[4.5]decan‐3‐ols 5 in 80–90% yield as the only products (Scheme 3 and Table 1). These products can be regarded as partly modified carbohydrates in the furanose form. When the benzyl‐protected analogues 10‐Bn of the 1,1‐diethoxy‐5‐hydroxypent‐3‐yn‐2‐one derivatives were treated with the same dithiol, however, no cyclization occurred; instead the corresponding 3‐{2‐[(benzyloxy)methyl]‐1,3‐dithian‐2‐yl}‐1,1‐diethoxypropan‐2‐one derivatives 11‐Bn were formed in good yield (up to 99%; Table 4). These 1,3‐dithianes were and are in the process of being converted to a number of new carbohydrate analogues, and here are reported high‐yield syntheses of functionalized molecules 17 belonging to the 5,5‐diethoxy‐1,4‐dihydroxypentan‐2‐one family of compounds (Table 7), via 15‐Bn (Table 5) and 16‐Bn (Table 6 and Scheme 8).
{1,1′‐(Dimethylsilylene)bis[methanechalcogenolato]}diiron Complexes [2Fe2E(Si)] (E=S, Se, Te) – [FeFe] Hydrogenase Models
Authors: Apfel Ulf‐Peter , Görls Helmar , Felton Greg A. N. , Evans Dennis H. , Glass Richard S. , Lichtenberger Dennis L. , Weigand Wolfgang
Published: November 2012

(Bis‐selenolato) and (bis‐tellurolato)diiron complexes [2Fe2E(Si)] were prepared and compared with the known (bis‐thiolato)diiron complex A to assess their ability to produce hydrogen from protons. Treatment of [Fe3(CO)12] with 4,4‐dimethyl‐1,2,4‐diselenasilolane (1) in boiling toluene afforded hexacarbonyl{μ‐{[1,1′‐(dimethylsilylene)bis[methaneselenolato‐κSe : κSe]](2 −)}}diiron(FeFe) (2). The analog bis‐tellurolato complex hexacarbonyl{μ‐{[1,1′‐(dimethylsilylene)bis[methanetellurolato‐κTe : κTe]](2 −)}}diiron(FeFe) (3) was obtained by treatment of [Fe3(CO)12] with dimethylbis(tellurocyanatomethyl)dimethylsilane, which was prepared in situ. All compounds were characterized by NMR, IR spectroscopy, mass spectrometry, elemental analysis and single‐crystal X‐ray analysis. The electrocatalytic properties of the [2Fe2X(Si)] (X=S, Se, Te) model complexes A, 1, and 2 towards hydrogen formation were evaluated.
CuI‐Mediated Trifluoromethylations with Stannanes. Preliminary Communication
Authors: Sanhueza Italo A. , Nielsen Mads C. , Ottiger Marcel , Schoenebeck Franziska
Published: November 2012

(Trifluoromethyl)stannane reagents such as Bu3SnCF3 are effective in CuI‐mediated trifluoromethylation reactions of aryl iodides. The reactions proceed via the intermediacy of [CuCF3] species.
Room Temperature Synthesis and Size Control of HKUST‐1
Authors: Majano Gerardo , Pérez‐Ramírez Javier
Published: November 2012

We report the synthesis of HKUST‐1 (Cu3(btc)2; btc=benzene‐1,3,5‐tricarboxylate) and its growth kinetics by dynamic light scattering completely at room temperature without prior nucleation‐induction steps. Upon an increase in concentration of the starting solutions, the generation of a pure phase requires adjustment of the H2O/EtOH ratio. The presence of DMF is important to avoid competitive side phases. Replacement of DMF by a minimal amount of diethylamine resulted in the instantaneous formation of pure HKUST‐1 upon mixing at room temperature. Additionally, the synthesis parameters strongly influence the final crystallite size and porous properties.
Emotional Expression and Language: A Longitudinal Study of Typically Developing Earlier and Later Talkers from 15 to 30 Months
Authors: Kubicek Lorraine F. , Emde Robert N.
Published: November 2012

Children's emotional expression and language both develop during infancy and early childhood, yet these two communication systems have been studied primarily in isolation. This study focuses instead on assessing therelationbetween them just as productive language emerges during toddlerhood. Seventy‐seven typically developing, firstborn toddlers and their families were recruited at 13 months of age. Using an extreme groups design, earlier and later talkers were selected based on their MacArthur Communicative Development Inventory production scores. Laboratory visits occurred at 15, 21, and 30 months; home visits occurred at 3‐month intervals from 15 to 30 months. Observational and parent report measures assessed child language, emotional expression, temperament, and overall developmental functioning. Parents also reported on parenting stress and family life events. Overall, results support a significant relation between emotional expression and productive language that varies according to the specific emotion, a finding that may resolve earlier contradictory results in this area. Earlier talkers expressed more joy/pleasure than did later talkers, but later talkers expressed more fear and anger than did earlier talkers. Potential contributions of various child/family factors were explored. Child temperament is proposed as influencing this relation through its effects on the child's transactions with the caregiving environment.
EphB4 enhances the process of endochondral ossification and inhibits remodeling during bone fracture repair
Authors: Arthur Agnieszka , Panagopoulos Romana A , Cooper Lachlan , Menicanin Danijela , Parkinson Ian H , Codrington John D , Vandyke Kate , Zannettino Andrew CW , Koblar Simon A , Sims Natalie A , Matsuo Koichi , Gronthos Stan
Published: November 2012

Previous reports have identified a role for the tyrosine kinase receptor EphB4 and its ligand, ephrinB2, as potential mediators of both bone formation by osteoblasts and bone resorption by osteoclasts. In the present study, we examined the role of EphB4 during bone repair after traumatic injury. We performed femoral fractures with internal fixation in transgenic mice that overexpress EphB4 under the collagen type 1 promoter (Col1-EphB4) and investigated the bone repair process up to 12 weeks postfracture. The data indicated that Col1-EphB4 mice exhibited stiffer and stronger bones after fracture compared with wild-type mice. The fractured bones of Col1-EphB4 transgenic mice displayed significantly greater tissue and bone volume 2 weeks postfracture compared with that of wild-type mice. These findings correlated with increased chondrogenesis and mineral formation within the callus site at 2 weeks postfracture, as demonstrated by increased safranin O and von Kossa staining, respectively. Interestingly, Col1-EphB4 mice were found to possess significantly greater numbers of clonogenic mesenchymal stromal progenitor cells (CFU-F), with an increased capacity to form mineralized nodules in vitro under osteogenic conditions, when compared with those of the wild-type control mice. Furthermore, Col1-EphB4 mice had significantly lower numbers of TRAP-positive multinucleated osteoclasts within the callus site. Taken together, these observations suggest that EphB4 promotes endochondral ossification while inhibiting osteoclast development during callus formation and may represent a novel drug target for the repair of fractured bones. © 2013 American Society for Bone and Mineral Research.
Design, Synthesis, and Antifungal Activities of New β‐Methoxyacrylate Analogues
Authors: Liu Hui‐Jun , Zhang Xiang , Gao Yong‐Xin , Li Jian‐Zhong , Wang Hui‐Li
Published: November 2012

Strobilurins have become one of the most important classes of agricultural fungicides. To search for new strobilurin derivatives with high activity against resistant pathogens, a series of new β‐methoxyacrylate analogues containing substituted pyrimidine in the side chain with strobilurin pharmacophore were synthesized and their biological activities were tested. The compounds were confirmed and characterized by 1H‐NMR, elemental analysis and mass spectroscopy. The bioassays indicated that most of the compounds 1 exhibited potent antifungal activities against Colletotrichum orbiculare, Botrytis cinerea Pers and Phytophthora capsici Leonian at a concentration of 50 μg mL−1. Notably, compound 1b (R = 2,5‐dimethylphenyl) showed better antifungal activity against all the tested fungi than the commercial strobilurin fungicide azoxystrobin.
Sex‐Specific Consequences of Experimental Cortisol Elevation in Pre‐Reproductive Wild Largemouth Bass
Authors: O'Connor Constance M. , Nannini Michael , Wahl David H. , Wilson Samantha M. , Gilmour Kathleen M. , Cooke Steven J.
Published: November 2012

Experimental implants were used to investigate the effect of elevated cortisol (the primary stress hormone in teleost fish) on energetic and physiological condition prior to reproduction in male and female largemouth bass (Micropterus salmoides). Fish were wild‐caught from lakes in Illinois, and held in experimental ponds for the duration of the study. Between 9 and 13 days after cortisol treatment, and immediately prior to the start of the reproductive period, treated and control animals were sampled. Females exhibited lower muscle lipid content, lower liver glycogen content, and higher hepatosomatic indices than males, regardless of treatment. Also, cortisol‐treated females had higher hepatosomatic indices and lower final mass than control females, whereas males showed no differences between treatment groups. Finally, cortisol‐treated females had higher gonadal cortisol concentrations than control females. In general, we found evidence of reduced energetic stores in female fish relative to male fish, likely due to timing differences in the allocation of resources during reproduction between males and females. Perhaps driven by the difference in energetic reserves, our data further suggest that females are more sensitive than males to elevated cortisol during the period immediately prior to reproduction. J. Exp. Zool. 319A:23–31, 2013. © 2012 Wiley Periodicals, Inc.
Hyperpolarized 13C metabolic imaging using dissolution dynamic nuclear polarization
Authors: Hurd Ralph E. , Yen Yi‐Fen , Chen Albert , Ardenkjaer‐Larsen Jan Henrik
Published: November 2012

This article describes the basic physics of dissolution dynamic nuclear polarization (dissolution‐DNP), and the impact of the resulting highly nonequilibrium spin states, on the physics of magnetic resonance imaging (MRI) detection. The hardware requirements for clinical translation of this technology are also presented. For studies that allow the use of externally administered agents, hyperpolarization offers a way to overcome normal magnetic resonance sensitivity limitations, at least for a brief T1‐dependent observation window. A 10,000–100,000‐fold signal‐to‐noise advantage provides an avenue for real‐time measurement of perfusion, metabolite transport, exchange, and metabolism. The principles behind these measurements, as well as the choice of agent, and progress toward the application of hyperpolarized 13C metabolic imaging in oncology, cardiology, and neurology are reviewed. J. Magn. Reson. Imaging 2012; 36:1314–1328. © 2012 Wiley Periodicals, Inc.
Silencing the expression of connexin 43 decreases inflammation and joint destruction in experimental arthritis
Authors: Tsuchida Shinji , Arai Yuji , Kishida Tsunao , Takahashi Kenji A. , Honjo Kuniaki , Terauchi Ryu , Inoue Hiroaki , Oda Ryo , Mazda Osam , Kubo Toshikazu
Published: November 2012

The objective of the present study was to determine whether the expression of connexin 43 (Cx43) effected on inflammatory conditions in rat fibroblast‐like synoviocytes (FLS) and on rat model of rheumatoid arthritis (RA). The expression of Cx43 in rat FLS stimulated with lipopolysaccharide (LPS) was confirmed by real‐time reverse transcriptase polymerase chain reaction (RT‐PCR). The effects of small‐interfering RNA targeting Cx43 (siCx43) on pro‐inflammatory cytokines and chemokine were assessed by real‐time RT‐PCR and enzyme‐linked immunosorbent assay (ELISA). The therapeutic and side effects of siCx43 in a rat model of collagen‐induced arthritis (CIA) were examined by in vivo electroporation method. LPS markedly enhanced Cx43 gene expression in rat FLS, with transfection of siCx43 suppressing the over‐expression of pro‐inflammatory cytokines and the chemokine. Treatment of CIA rats with siCx43 significantly ameliorated paw swelling, and significantly reduced histological arthritis scores and radiographic scores. In histological appearance of rat ankle joints, siCx43 treatment significantly decreased the number of tartrate‐resistant acid phosphatase (TRAP)‐positive (osteoclast‐like) cells. These findings indicated that siCx43 had anti‐inflammatory effects in rat FLS and efficiently inhibited the development of CIA. Cx43 may play an important role in the pathophysiology of RA, and may be a potential target molecule for novel RA therapies. © 2012 Orthopaedic Research Society. Published by Wiley Periodicals, Inc. J Orthop Res 31: 525–530, 2013
Attempts to separate (–)‐α‐thujone, (+)‐β‐thujone epimers from camphor enantiomers by enantioselective HPLC with polarimetric detection
Authors: El Montassir Dahmane , Aamouche Ahmed , Vanthuyne Nicolas , Jean Marion , Vanloot Pierre , Taourirte Moha , Dupuy Nathalie , Roussel Christian
Published: November 2012

In a first step, 26 chiral stationary phases (CSPs) have been screened for the separation of (–)‐α‐thujone, (+)‐β‐thujone epimers and camphor enantiomers by LC. The separations were monitored by a polarimeter detector. None of these CSPs provided a noticeable resolution for camphor enantiomers. The three components of a test mixture were clearly baseline separated on Chiralpak AS‐H, Chiralpak AZ‐H and TCI‐MBS (poly(N‐alpha‐(S)‐methylbenzylmaleimide) coated on silica gel) in a mobile phase composed of hexane/2‐PrOH (99:1 v/v). Interestingly, for a preparative application, the three CSPs produced different elution orders for the three constituents of the mixture. In a second step, it is shown that the use of online polarimetric detection constitutes an unprecedented method to reveal the occurrence and the relative content of thujone epimers and the chirality of the major camphor enantiomer in crude essential oils. A proof of concept is illustrated on crude essential oils from Rosmarinus tournefortii, Artemisia herba alba and A. arborescens, which grow in Morocco and have several traditional uses there. In a third step, pure (+)‐β‐thujone was quantitatively collected from A. arborescens crude oil by semi‐preparative HPLC on Chiralpak AZ‐H monitored by a polarimeter.
Green Polymer Chemistry and Bio‐based Plastics: Dreams and Reality
Authors: Mülhaupt Rolf
Published: November 2012

Dwindling fossil resources, surging energy demand and global warming stimulate growing demand for renewable polymer products with low carbon footprint. Going well beyond the limited scope of natural polymers, biomass conversion in biorefineries and chemical carbon dioxide fixation are teamed up with highly effective tailoring, processing and recycling of polymers. “Green monomers” from biorefineries, and “renewable oil”, gained from plastics' and bio wastes, render synthetic polymers renewable without impairing their property profiles and recycling. In context of biofuel production, limitations of the green economy concepts are clearly visible. Dreams and reality of “green polymers” are highlighted. Regardless of their new greenish touch, highly versatile and cost‐effective polymers play an essential role in sustainable development.
Application of mass spectrometry to hair analysis for forensic toxicological investigations
Authors: Vincenti Marco , Salomone Alberto , Gerace Enrico , Pirro Valentina
Published: November 2012

The increasing role of hair analysis in forensic toxicological investigations principally owes to recent improvements of mass spectrometric instrumentation. Research achievements during the last 6 years in this distinctive application area of analytical toxicology are reviewed. The earlier state of the art of hair analysis was comprehensively covered by a dedicated book (Kintz, 2007a. Analytical and practical aspects of drug testing in hair. Boca Raton: CRC Press and Taylor & Francis, 382 p) that represents key reference of the present overview. Whereas the traditional organization of analytical methods in forensic toxicology divided target substances into quite homogeneous groups of drugs, with similar structures and chemical properties, the current approach often takes advantage of the rapid expansion of multiclass and multiresidue analytical procedures; the latter is made possible by the fast operation and extreme sensitivity of modern mass spectrometers. This change in the strategy of toxicological analysis is reflected in the presentation of the recent literature material, which is mostly based on a fit‐for‐purpose logic. Thus, general screening of unknown substances is applied in diverse forensic contexts than drugs of abuse testing, and different instrumentation (triple quadrupoles, time‐of‐flight analyzers, linear and orbital traps) is utilized to optimally cope with the scope. Other key issues of modern toxicology, such as cost reduction and high sample throughput, are discussed with reference to procedural and instrumental alternatives. © 2012 Wiley Periodicals, Inc., Mass Spec Rev 32:312–332, 2013
PANK2 and C19orf12 mutations are common causes of neurodegeneration with brain iron accumulation
Authors: Dezfouli Mitra Ansari , Alavi Afagh , Rohani Mohammad , Rezvani Mohamad , Nekuie Tayebeh , Klotzle Brandy , Tonekaboni Seyed Hasan , Shahidi Gholam Ali , Elahi Elahe
Published: November 2012

Background

Neurodegeneration with brain iron accumulation (NBIA) constitutes a group of neurodegenerative disorders with pronounced iron deposition in the basal ganglia. PANK2 mutations are the most common cause of these disorders. C19orf12 was recently reported as another causative gene. We present phenotypic data and results of screening of PANK2 and C19orf12 in 11 unrelated Iranian NBIA patients.

Methods

Phenotypic data were obtained by neurologic examination, magnetic resonance imaging, and interviews. Mutation screening of PANK2 and C19orf12 was performed by sequencing.

Results

PANK2 and C19orf12 mutations were found in 7 and 4 patients, respectively. Phenotypic comparisons suggest that C19orf12 mutations as compared with PANK2 mutations result in a milder disease course.

Conclusions

Mutations in both PANK2 and C19orf12 contributed significantly to NBIA in the Iranian patients. To the best of our knowledge, this is the first genetic analysis reported on a cohort of NBIA patients from the Middle East. © 2012 Movement Disorder Society
QSAR Modeling is not “Push a Button and Find a Correlation”: A Case Study of Toxicity of (Benzo‐)triazoles on Algae
Authors: Gramatica Paola , Cassani Stefano , Roy Partha Pratim , Kovarich Simona , Yap Chun Wei , Papa Ester
Published: November 2012

A case study of toxicity of (benzo)triazoles ((B)TAZs) to the algaePseudokirchneriella subcapitatais used to discuss some problems and solutions in QSAR modeling, particularly in the environmental context. The relevance of data curation (not only of experimental data, but also of chemical structures and input formats for the calculation of molecular descriptors), the crucial points of QSAR model validation and the potential application for new chemicals (internal robustness, exclusion of chance correlation, external predictivity, applicability domain) are described, while developing MLR‐OLS models based on molecular descriptors, calculated by various QSAR software tools (commercial DRAGON, free PaDEL‐Descriptor and QSPR‐THESAURUS). Additionally, the utility of consensus models is highlighted. This work summarizes a methodology for a rigorous statistical approach to obtain reliable QSAR predictions, also for a large number of (B)TAZs in the ECHA preregistration list of REACH (even if starting from limited experimental data availability), and has evidenced some ambiguities and discrepancies related to SMILES notations from different databases; furthermore it highlighted some general problems related to QSAR model generation and was useful in the implementation of the PaDEL‐Descriptor software.
Key Articles and Guidelines in the Management of Acute Coronary Syndrome and in Percutaneous Coronary Intervention: 2012 Update
Authors: Dobesh Paul P. , Beavers Craig J. , Herring Holly R. , Spinler Sarah A. , Stacy Zachary A. , Trujillo Toby C.
Published: November 2012

More than 1 million people in the United States experience an acute coronary syndrome (ACS) every year, and almost 600,000 undergo percutaneous coronary intervention (PCI) for treatment of cardiovascular disease. There is a large amount of evidence‐based literature to guide appropriate management of these patients. There have been a number of advances in the treatment of these patients over the last several years. Due to the large amount of rapidly available literature concerning the care of patients with ACS or undergoing PCI, clinicians can often find it difficult to keep up with the information needed for optimizing care of these patients. Therefore, we provide the second update to the first compiled bibliography of key articles and guidelines relative to patients with ACS published in Pharmacotherapy in 2004. The initial update was published in Pharmacotherapy in 2007 and also included bibliographies concerning management of patients undergoing PCI. A number of guidelines and practice‐changing literature have been published since the update in 2007. Specific areas included in this review are updated summaries of clinical practice guidelines and clinical trials of anticoagulants, antiplatelets, platelet aggregation testing, pharmacogenomics testing in patients taking clopidogrel, clopidogrel loading dose comparisons, clopidogrel and proton pump inhibitor drug interactions, the impact of bleeding in ACS, and statins. As with previous versions of this document, we hope that this compilation will serve as a resource for pharmacists, physicians, nurses, residents, and students responsible for the care of patients with coronary heart disease.
Impact of foliar symptoms of “Esca proper” on proteins related to defense and oxidative stress of grape skins during ripening
Authors: Pasquier Grégory , Lapaillerie Delphine , Vilain Sébastien , Dupuy Jean‐William , Lomenech Anne‐Marie , Claverol Stéphane , Gény Laurence , Bonneu Marc , Teissedre Pierre‐Louis , Donèche Bernard
Published: November 2012

Esca is one of the major diseases affecting vineyards with direct impact on product yield; nevertheless, scientific studies concerning its impact on grape quality are scarce. As an attempt to better understand the mechanisms behind “Esca proper” development in grapes, this work focused on the identification of proteins whose expression is altered by the disease. 2‐DEs were performed on protein extracts from grape skins at different stages of maturity for two consecutive vintages. Grapes were collected in 2009 and in 2010 from plants that did not present signs of infection by Esca proper since the 2004 vintage and from plants that presented cast leaf symptoms at least once since 2004. For the first time, 13 proteins were shown to be influenced by Esca proper during the ripening process. Extensive bioinformatics analysis allowed the grouping of proteins involved in (i) stress tolerance and defense response, (ii) oxidative phosphorylation, (iii) oxidation–reduction processes in mitochondria, and (iv) oxidation–reduction processes in chloroplasts. Of these 13 proteins, cysteine synthase is the only one implicated in a metabolic pathway of oenological interest. This study shows how foliar symptoms of Esca proper may impact stress‐related pathways in grapes, which are characterized by modifications in the chain of oxidative phosphorylation and redox scavenging.
Protein chimerism: Novel source of protein diversity in humans adds complexity to bottom‐up proteomics
Authors: Casado‐Vela Juan , Lacal Juan Carlos , Elortza Felix
Published: November 2012

Three main molecular mechanisms are considered to contribute expanding the repertoire and diversity of proteins present in living organisms: first, at DNA level (gene polymorphisms and single nucleotide polymorphisms); second, at messenger RNA (pre‐mRNA and mRNA) level including alternative splicing (also termed differential splicing or cis‐splicing); finally, at the protein level mainly driven through PTM and specific proteolytic cleavages. Chimeric mRNAs constitute an alternative source of protein diversity, which can be generated either by chromosomal translocations or by trans‐splicing events. The occurrence of chimeric mRNAs and proteins is a frequent event in cells from the immune system and cancer cells, mainly as a consequence of gene rearrangements. Recent reports support that chimeric proteins may also be expressed at low levels under normal physiological circumstances, thus, representing a novel source of protein diversity. Notably, recent publications demonstrate that chimeric protein products can be successfully identified through bottom‐up proteomic analyses. Several questions remain unsolved, such as the physiological role and impact of such chimeric proteins or the potential occurrence of chimeric proteins in higher eukaryotic organisms different from humans. The occurrence of chimeric proteins certainly seems to be another unforeseen source of complexity for the proteome. It may be a process to take in mind not only when performing bottom‐up proteomic analyses in cancer studies but also in general bottom‐up proteomics experiments.
Damage accumulation in He implanted SiC at different temperatures
Authors: Barbot Jean François , Declémy Alain , Beaufort Marie‐France
Published: November 2012

The defect accumulation in helium‐implanted 4H–SiC was studied in a large range of temperatures through the elastic strain build‐up determined by using X‐ray diffraction measurements. The interstitial type defects formation and accumulation result in the strain build‐up that was modelled with a multi‐step damage accumulation. The gradient of strain imputed to the ion implantation processes leads to the additional step of defect accumulation where the nuclear energy loss is maximal. This phenomenon is enhanced when the formation of bubbles takes place.
Low‐temperature encapsulation of coronene in carbon nanotubes
Authors: Botka B. , Füstös M. E. , Klupp G. , Kocsis D. , Székely E. , Utczás M. , Simándi B. , Botos Á. , Hackl R. , Kamarás K.
Published: November 2012

Coronene was encapsulated in single‐walled carbon nanotubes (SWNT) by vapor‐phase filling at high (450 °C) and low (385 °C) temperature and by nanoextraction from supercritical carbon dioxide. The presence of coronene inside the tubes was demonstrated indirectly via the formation of double‐walled nanotubes (DWNT). To this end several subsequent annealing steps were applied and monitored by Raman spectroscopy. Our results show that the encapsulation is successful with all three methods. However, high‐temperature vapor filling produces adsorbed dicoronylene, the dimerized form of coronene, as a side reaction. In order to avoid dicoronylene contamination, we suggest to use low‐temperature methods for the production of coronene‐filled carbon nanotubes.

magnified image

Coronene (top) and dicoronylene (bottom) molecules.
Crystal growth and scintillation properties of Ce doped (Gd,Y)AlO3 perovskite single crystals
Authors: Kamada Kei , Endo Takanori , Tsutsumi Kousuke , Yoshikawa Akira
Published: November 2012

Ce1%:(GdxY1‐x)AlO3 (x=0, 0.2, 0.4, 0.6, 0.8 and 1) crystals were grown by the μ‐PD method with RF heating system. All of the grown crystals show single perovskite phase. Ce3+ 4f‐5d emission is observed within 360‐400nm wavelength. Emission peak shifts to shorter wavelength with increasing Y concentration. In order to determine light yield, the energy spectra were collected under 662 keV γ‐ray excitation (137Cs source) and detection by an PMT R6451(Hamamatsu). The light yield was calculated by comparing to LYSO standard. The light yield of Ce1%:(GdxY1‐x)AlO3samples were increased with increasing Y concentration and Ce1%:Gd0.6Y0.4AlO3sample shows the highest light yield of 14,000 photon/MeV. Scintillation decay time was around 14.4 ns (16%) with slower decay component of.139 ns (84%) (© 2012 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)
Investigation of saturation and excitation behavior of 1.5 μm emission from Er3+ ions in SiO2 sensitized with Si nanocrystals
Authors: Timmerman D. , Saeed S. , Gregorkiewicz T. , Roldán Gutiérrez M. A. , Molina S. I.
Published: November 2012

Using time‐resolved photoluminescence spectroscopy we investigated the 1.5 μm emission from Er3+ ions embedded in SiO2 matrix sensitized with Si nanocrystals. Temporal characteristics are analyzed as the function of excitation powers and temperatures. We confirm the predominance of two excitation channels – a fast one, with nanosecond dynamics, and a slow one, taking place on the microsecond time scale. Upon increasing excitation power, the fast mechanism saturates and further increase of total photoluminescence intensity is facilitated by the slow energy transfer process. Consequences of this finding on the microscopic modeling of the excitation process are discussed (© 2012 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)
Simulation of impedance spectra of double‐layer organic light‐emitting diodes for the determination of hole drift mobility of NPB/Alq3 diodes by means of impedance spectroscopy
Authors: Ishihara Shingo , Hase Hiroyuki , Okachi Takayuki , Naito Hiroyoshi
Published: November 2012

Determination of hole drift mobility of 4,4′‐bis[N‐(1‐naphthyl)‐N‐phenyl‐amino]‐biphenyl (NPB)/ tris(8‐hydroxy‐quinolinato) aluminium (Alq3) double‐layer diodes has been examined from the simulation of impedance spectra. The theoretical basis for the determination of carrier drift mobility rests on a theory for single‐injection space‐charge limited current. The simulation for NPB/Alq3 double‐layer hole‐only devices shows that the transit‐time effect seen in the impedance spectra is due to hole transit in Alq3 layer of NPB/Alq3 double‐layer hole‐only devices. The experimentally obtained hole drift mobilities of the NPB/Alq3 double‐layer hole‐only devices are in good agreement with those of Alq3 in literature, consistent with the simulation results. The results are useful for determination of charge‐carrier drift mobility in multilayer organic light‐emitting diodes. (© 2012 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)
Evaluation of residual strain in directional solidified mono‐Si ingots
Authors: Jiptner Karolin , Fukuzawa Masayuki , Miyamura Yoshiji , Harada Hirofumi , Kakimoto Koichi , Sekiguchi Takashi
Published: November 2012

Cast‐grown mono‐like Si ingots for photovoltaic application are getting increasing attention due to the possibility of obtaining highly efficient solar cells at a low‐cost production process. The reduction of crystallographic defects is essential to reach that potential. In this study, the residual strain and dislocation distribution in monolike ingots grown by directional solidification was experimentally determined. It was found that both strain and dislocations are mainly concentrated in the periphery of the ingots (© 2013 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)
The antecedents and innovation effects of domestic and offshore R&D outsourcing: The contingent impact of cognitive distance and absorptive capacity
Authors: Bertrand Olivier , Mol Michael J.
Published: November 2012

This paper analyzes differences in the antecedents and performance consequences of domestic and offshore R&D outsourcing. Offshore outsourcing is characterized by larger cognitive distance. We find that absorptive capacity from internal R&D allows for more offshore outsourcing and that offshore outsourcing leads to more positive innovation outcomes, especially product innovation.
A Versatile Toolbox for Multiplexed Protein Micropatterning by Laser Lithography
Authors: Gropeanu Mihaela , Bhagawati Maniraj , Gropeanu Radu A. , Rodríguez Muñiz Gemma M. , Sundaram Subramanian , Piehler Jacob , del Campo Aránzazu
Published: November 2012

Photocleavable oligohistidine peptides (POHP) allow in situ spatial organization of multiple His‐tagged proteins onto surfaces functionalized with tris(nitrilotriacetic acid) (tris‐NTA). Here, a second generation of POHPs is presented with improved photoresponse and site‐specific covalent coupling is introduced for generating stable protein assemblies. POHPs with different numbers of histidine residues and a photocleavable linker based on the 4,5‐dimethoxy‐o‐nitrophenyl ethyl chromophore are prepared. These peptides show better photosensitivity than the previously used o‐nitrophenyl ethyl derivative. Efficient and stable caging of tris‐NTA‐functionalized surfaces by POHPs comprising 12 histidine residues is demonstrated by multiparameter solid‐phase detection techniques. Laser lithographic uncaging by photofragmentation of the POHPs is possible with substantially reduced photodamage as compared to previous approaches. Thus, in situ micropatterning of His‐tagged proteins under physiological conditions is demonstrated for the first time. In combination with a short peptide tag for a site‐specific enzymatic coupling reaction, covalent immobilization of multiple proteins into target micropatterns is possible under physiological conditions.
For Bed and Board Only: Women and Girl Children Domestic Workers in Post-Partition Calcutta (1951–1981)
Authors: CHAKRAVARTY ISHITA , CHAKRAVARTY DEEPITA
Published: November 2012

This paper attempts to see how a particular labour market (domestic service), a traditionally male domain, became segregated both by gender and age in the post-partition Indian state of West Bengal, and mainly in its capital city Calcutta. It argues that the downward trend in industrial job opportunities in post independent West Bengal, accompanied by the large scale immigration of men, women and children from bordering East Pakistan (now Bangladesh), led to a general decline in wage rate for those in domestic service. Poor refugee women, in their frantic search for a means of survival, gradually drove out the males of the host population who were engaged in domestic service in urban West Bengal by offering to work for a very low wage and often for no wage at all. As poor males from the neighbouring states of Bihar, Orissa and the United Provinces constituted historically a substantial section of Calcutta domestic workers, it was mainly this group who were replaced by refugee women. The second stage in the changing profile of domestic service since the 1970s in urban West Bengal was arguably set by migrating girl children from different parts of the state to Calcutta city in search of employment. This is probably why West Bengal had the highest girl children's work-participation rate in urban India in 2001.
Two simultaneous botulism outbreaks in Barcelona:Clostridium baratiiandClostridium botulinum
Authors: LAFUENTE S. , NOLLA J. , VALDEZATE S. , TORTAJADA C. , VARGAS-LEGUAS H. , PARRON I. , SÁEZ-NIETO J. A. , PORTAÑA S. , CARRASCO G. , MOGUEL E. , SABATE S. , ARGELICH R. , CAYLÀ J. A.
Published: November 2012

Botulism is a severe neuroparalytic disorder that can be potentially life-threatening. In Barcelona, Spain, no outbreaks had been reported in the past 25 years. However, in September 2011, two outbreaks occurred involving two different families. A rare case ofClostridium baratiiwhich produced a neurotoxin F outbreak was detected in five family members who had shared lunch, and several days before that another family was affected byC. botulinumtoxin A which was probably present in homemade pâté.
The importance of the supervisor for the mental health and work attitudes of Australian aged care nurses
Authors: Rodwell John , Martin Angela
Published: November 2012

Background: The work attitudes and psychological well-being of aged care nurses are important factors impacting on the current and future capacity of the aged care workforce. Expanding our understanding of the ways in which the psychosocial work environment influences these outcomes is important in order to enable organizations to improve the management of human resources in this sector.

Methods: Using survey data from a sample of 222 Australian aged care nurses, regression analyses were employed to test the relative impact of a range of psychosocial work environment variables derived from the demand-control-support (DCS) model and organizational justice variables on satisfaction, commitment, well-being, and depression.

Results: The expanded model predicted the work attitudes and well-being of aged care nurses, particularly the DCS components. Specifically, demand was related to depression, well-being, and job satisfaction, job control was related to depression, commitment, and job satisfaction, and supervisor support and interpersonal fairness were related to well-being. The contributions of informational and interpersonal justice, along with the main and interaction effects of supervisor support, highlight the centrality of the supervisor in addressing the impact of job demands on aged care nurses.

Conclusion: Psychosocial variables have utility beyond predicting stress outcomes to the work attitudes of nurses in an aged care setting and thus present further avenues of research for the retention of nurses and improved patient care.
The Impact of Semantic Dementia on Everyday Actions: Evidence from an Ecological Study
Authors: Bier Nathalie , Bottari Carolina , Hudon Carol , Joubert Sven , Paquette Guillaume , Macoir Joël
Published: November 2012

In theory, semantic memory may trigger and support the execution of everyday activities. This study explored this question by comparing three patients with semantic dementia to 40 normal controls performing different everyday activities. Participants were tested in their home using the Instrumental Activities of Daily Living Profile, an ecological measure of everyday functioning. Participants were informed that they had unknowingly invited two guests for lunch and should prepare accordingly. With these instructions, they dress to go outdoors, go to the grocery store, shop for food, prepare a hot meal, have the meal with the guests, and clean up after the meal. Performance was analyzed on the basis of four operations related to problem solving: formulate a goal, plan, execute, and verify attainment of the goal. Results indicate that compared to normal controls, two patients had significant difficulties and needed assistance with all operations of problem-solving, particularly while preparing a meal and cleaning up after the meal. One patient showed no difficulties despite severe semantic deficits. These results suggest that semantic deficits alone cannot explain the difficulties observed, but may contribute to some aspects of everyday actions such as those involved in everyday problem-solving. (JINS, 2012,18, 1–11)
Food consumption patterns and nutrition transition in South-East Asia
Authors: Lipoeto Nur Indrawaty , Geok Lin Khor , Angeles-Agdeppa Imelda
Published: November 2012

Objective

The present study was done to confirm the relationship between changes in food patterns and nutrition transition in three South-East Asian countries, namely the Philippines, Malaysia and Indonesia.

Design

This was a cross-sectional study conducted between August 2008 and August 2009 using three methods: interviews, focus group discussions and analyses of government reports.

Setting

The study was conducted in rural and urban areas in Manila and Calabanga (Philippines), Selangor and Kuala Selangor (Malaysia), and Padang, Pariaman Tanah Datar and Limapuluh Kota (West Sumatra, Indonesia).

Subjects

Adults aged 18 to 77 years.

Results

The results showed that Filipinos, Malaysians and Indonesians have retained many aspects of their traditional diets. In fact, most participants in the study considered Western-style and franchise fast foods as snack or recreational foods to be consumed once in a while only. However, a significant difference was noted between urban and rural areas in food varieties consumed. Participants in urban areas consumed more varieties of traditional foods owing to their availability and the participants’ food purchasing power. Although traditional food patterns were maintained by most of the participants, more sugar and vegetable oils were consumed and added to the traditional recipes.

Conclusions

The rapid nutrition transition in this region may be due, instead, to increasing food availability and food purchasing power, rather than to a shift in food preferences towards modern Western foods.