bluuebunny/crossref_metadata_2025 huggingface dataset:
ChemInform Abstract: Aerobic Oxidations of Alcohols
Authors: Cardona Francesca , Parmeggiani Carmilla
Published: October 2013

Review: 131 refs.
ChemInform Abstract: Recent Applications of Phosphorus Reagents: From Organic Synthesis to Stereoselective Catalysis
Authors: Pignataro Luca , Piarulli Umberto
Published: October 2013

Review: use of phosphorus(III) compdounds in organic synthesis, as reagents, catalystsas well as ligands in transition metal catalysis; 83 refs.
ChemInform Abstract: Critical Surveys Covering the Year 2011: Introduction and Transformation of Functional Groups
Authors: Cimarelli Cristina
Published: October 2013

Review: 55 refs.
ChemInform Abstract: Synthesis and Characterization of Uranium‐Containing Catalysts
Authors: Ismagilov Z. R. , Lazareva S. V.
Published: October 2013

Review: 241 refs.
ChemInform Abstract: Rational Asymmetric Catalyst Design, Intensification and Modeling
Authors: Nawaz Zeeshan , Baksh Faisal , Naveed Ramzan , Alqahtani Abdullah
Published: October 2013

Review: 42 refs.
ChemInform Abstract: Kinetics of Heterogeneous Catalytic Reactions
Authors: van Santen Rutger
Published: October 2013

Review: 19 refs.
Polymere mit Temperatur‐ und Formgedächtnis
Authors: Feil Sylvia
Published: October 2013

Während es schon verschiedene Formgedächtnis‐Polymere mit einem einmaligen Formänderungseffekt gibt, sind solche mit umkehrbaren Formänderungen neu. Die Idee dahinter ist, ein inneres Gerüst aus kristallinen Bereichen als Hochtemperaturform zu wählen, während die Kristallisation von Bereichen, welche in der Hochtemperaturform amorph vorliegen, die Niedertemperaturform bestimmt. Die Formänderung basiert dann auf dem Schmelzen oder Kristallisieren dieser Bereiche, die als Aktoren fungieren.
Perspektiven für Akademiker
Authors: Schweiß Vanessa
Published: October 2013

Noch immer gilt: Mit einem Hochschulabschluss hat man gute Karrierechancen und ein geringes Risiko, dauerhaft arbeitslos zu bleiben. Laut einer Studie der Agentur für Arbeit finden 53 Prozent der Hochschulabsolventen innerhalb der ersten drei Monate nach Studienabschluss einen Job und nur 2,5 Prozent der Akademiker sind dauerhaft arbeitslos. Damit liegen Akademiker in Deutschland unter dem gesamtdeutschen Schnitt von 6 Prozent und weit unter der europäischen Akademikerarbeitslosigkeit von 5,6 Prozent.
Molecular Drug Resistance Prediction for Acetohydroxyacid Synthase Mutants Against Chlorsulfuron Using MB‐QSAR
Authors: He Yinwu , Niu Congwei , Wen Xin , Xi Zhen
Published: October 2013

Chlorsulfuron is the first commercialized sulfonylurea herbicide, which targets acetohydroxyacid synthase (AHAS). Mutations in AHAS have caused serious herbicide resistance to chlorsulfuron. Quantitative description of the herbicide resistance in molecular level will benefit the understanding of the resistance mechanism and aid the design of resistance‐evading herbicide. We have recently established a MB‐QSAR (Mutation‐dependent Biomacromolecular Quantitative Structure‐Activity Relationship) method to conduct the 3D‐QSAR study in biomacromolecules. Herein, based on the herbicide resistance data measured for a series of AHAS mutants against chlorsulfuron, we constructed MB‐QSAR models to quantitatively predict the herbicide resistance and interpret the structure resistance relationships for AHAS mutants against chlorsulfuron. Quite well correlations between the experimental and the predicted pKi values were achieved for MB‐QSAR/CoMFA (q2=0.705, r2=0.918, r2pred=0.635) and MB‐QSAR/CoMSIA (q2=0.558, r2=0.940, r2pred=0.527) models, and interpretation of the MB‐QSAR models gave chemical intuitive information to guide the resistance‐evading herbicide design.
Design, Synthesis and Preliminary Biological Evaluation of Purine‐2,6‐diamine Derivatives as Cyclin‐dependent Kinase (CDK) Inhibitors
Authors: Wang Junhua , Wang Quande , Zhang Liangren , Fang Hao
Published: October 2013

Novel purine‐2,6‐diamine derivatives were designed and synthesized as cyclin‐dependent kinase (CDK) inhibitors. According to the preliminary biological evaluation, most of the compounds show good inhibitory activities in CDK1 enzyme assay and potent antiproliferative activities in some tumor cell lines. Especially, compound 11a (IC50=0.35 µmol/L for CDK1/cyclin B and IC50=0.023 µmol/L for CDK2/cyclin A) possessed better inhibitory effect compared with Roscovitine (IC50=2.54 (mol/L for CDK1/cyclin B and IC50=0.092 µmol/L for CDK2/cyclin A).
Synthesis and Photovoltaic Properties of Polythiophene Incorporating with 3,4‐Difluorothiophene Units
Authors: Huang Linquan , Yang Dong , Gao Qiang , Liu Yan , Lu Shengmei , Zhang Jian , Li Can
Published: October 2013

Two polythiophene derivatives using fluorine atoms and hexyl or hexyloxy group as electron‐withdrawing and donating substituents have been synthesized. The introduction of fluorine atoms to the polythiophene backbones simultaneously lowers the HOMO and narrows the bandgap, and the stronger electron‐donating ability of hexyloxy side chain further reduces the bandgap. As a result, poly[3‐hexylthiophene‐2,5‐diyl‐alt‐3,4‐difluorothiophene] (PHTDFT) shows HOMO and bandgap of −5.31/1.83 eV and poly[3,4‐dihexyloxythiophene‐2,5‐diyl‐alt‐3,4‐difluorothiophene] (PDHOTDFT) shows HOMO and bandgap of −5.14/1.68 eV, both are lower than −4.76/2.02 eV of P3HT. Benefiting from the lower HOMO, PHTDFT:PC61BM (1:1) polymer solar cells obtain a power conversion efficiency of 1.11% and an impressed open‐circuit voltage of 0.79 V under solar illumination AM1.5 (100 mW/cm2).
Room‐Temperature Bismuth‐Catalyzed Bis‐arylation of Carbonyl Compounds with Aryl Ethers and Phenols
Authors: Liu Congrong , Li Manbo
Published: October 2013

Using Bi2(SO4)3 as the catalyst and TMSCl as the additive, a wide variety of aldehydes, ketones, and acetals were smoothly condensed with aryl ethers at room temperature to provide the corresponding diarylmethanes and triarylmethanes selectively in good to excellent yields.
Punica granatum Shell Preparation, Characterization, and Use for Crystal Violet Removal from Aqueous Solution
Authors: Silveira Marilice B. , Pavan Flávio A. , Gelos Nilton F. , Lima Eder C. , Dias Silvio L. P.
Published: October 2013

Punica granatum shell (PGS), a solid waste, was prepared and characterized by point of zero charge measurement, Fourier transform infrared spectroscopy, scanning electron microscopy, N2 adsorption–desorption curves, and Boehm titration technique. The ability of PGS biosorbent to remove a basic dye, crystal violet (CV), from aqueous solutions by batch mode was investigated. The effects of pH, biosorbent dosage, contact time, and initial dye concentration on the biosorption capacity were studied. CV uptake was favorable at pH values ranging from 5 to 10. The contact time required to obtain the maximum biosorption was 2 h at 298 K using 0.6 g of biosorbent. The nonlinear pseudo‐second order kinetic model provided a best fit to experimental data when compared to pseudo‐first order and Elovich kinetic models. The equilibrium biosorption isotherm was studied according to nonlinear Langmuir, Freundlich, and Redlich–Peterson isotherm models. Regeneration of PGS was obtained using acetic acid as eluent. This study demonstrated that PGS is an effective low‐cost biosorbent for the removal of CV from aqueous solutions.
Tolerability and efficacy of pegylated interferon‐α‐2a in combination with imatinib for patients with chronic‐phase chronic myeloid leukemia
Authors: Johnson‐Ansah Hyacinthe , Guilhot Joelle , Rousselot Philippe , Rea Delphine , Legros Laurence , Rigal‐Huguet Françoise , Nicolini Franck Emmanuel , Mahon François‐Xavier , Preudhomme Claude , Guilhot François
Published: October 2013

BACKGROUND

The pegylated form of interferon‐α‐2a (PegIFNa2a) in combination with imatinib has demonstrated a molecular improvement in patients with chronic‐phase chronic myeloid leukemia. However, to the authors' knowledge, the appropriate dose of PegIFNa2a has not been established to date.

METHODS

In the French SPIRIT trial, the authors compared 2 initial doses of PegIFNa2a, taking into account an amendment that recommended reducing that dose from 90 μg/week to 45 μg/week because of toxicities. Accordingly, 2 subgroups of patients were identified: the PegIFN90 group (171 patients who were treated with the 90‐μg/week dose) and the PegIFN45 group (50 patients who were treated with the 45‐μg/week dose). Both groups were compared for toxicity and efficacy.

RESULTS

PegIFNa2a at a dose of 90 μg/week resulted in a rate of 54% of grade 3 to 4 hematologic toxicity compared with 27% with the dose of 45 μg/week (P < .001), leading to discontinuation rates of 40% and 10%, respectively, before 6 months. The dose reduction did not significantly affect the efficacy of the combination. By 12 months, the cumulative molecular response rates (ie, BCR‐ABL/abl ≤ 0.01 [IS: molecular responses graded as molecular response 4 (MR4)]) were 14% and 25%, respectively, for the subgroup treated with imatinib at a dose of 400 mg and the PegIFN90 subgroup. After the amendment, the MR4 rates were 10% and 28%, respectively, for the subgroup treated with imatinib at the 400‐mg dose and PegIFN45 subgroup (P < .0001).

CONCLUSIONS

The results of the current study demonstrate that in combination with imatinib, the efficient dose of PegIFNa2a appears to be 45 μg/week. Cancer 2013;119:4284–4289. © 2013 American Cancer Society.
Short telomere lengths in peripheral blood leukocytes are associated with an increased risk of oral premalignant lesion and oral squamous cell carcinoma
Authors: Bau Da‐Tian , Lippman Scott M. , Xu Enping , Gong Yilei , Lee J. Jack , Wu Xifeng , Gu Jian
Published: October 2013

BACKGROUND

Oral premalignant lesions (OPLs) are precursors of oral squamous cell carcinoma (OSCC). Short telomeres in peripheral blood leukocytes (PBLs) are associated with increased risks of several cancers. However, it is unclear whether short leukocyte telomere length (LTL) predisposes individuals to OPL and OSCC.

METHODS

LTL was measured in PBLs from 266 patients who had a diagnosis of either OPL (N = 174) or OSCC (N = 92) and from 394 age‐matched and sex‐matched controls. The association between LTL and the risk of OPL or OSCC, as well as the interaction of telomere length, cigarette smoking, and alcohol drinking on the risk of OPL or OSCC, were analyzed.

RESULTS

The age‐adjusted relative LTL was shortest in the OSCC group (1.64 ± 0.29), intermediate in the OPL group (1.75 ± 0.43), and longest in the control group (1.82 ± 0.36; Ptrend < .001). When the analysis was dichotomized at the median value in controls, adjusting for age, sex, smoking status, and alcohol drinking status, the odds ratio for the risk of OPL and OSCC associated with short LTL was 2.03 (95% confidence interval, 1.29‐3.21) and 3.47 (95% CI, 1.84‐6.53), respectively, with significant dose‐response effects for both associations. Among 174 patients with OPL, 23 progressed to OSCC, and the mean LTL was shorter in progressors than in nonprogressors (mean ± standard deviation: 1.66 ± 0.35 vs 1.77 ± 0.44, respectively), although the difference did not reach statistical significance (P = .258), probably because of the small number of progressors. An interaction analysis identified short LTL, smoking, and drinking alcohol as independent risk factors for OPL and OSCC.

CONCLUSIONS

Short LTL was associated with increased risks of developing OPL and OSCC. The current results also indicated that short LTL likely predisposes patients to the malignant progression of OPL. Cancer 2013;119:4277–4283. © 2013 American Cancer Society.
Discovering biological knowledge by integrating high‐throughput data and scientific literature on the cloud
Authors: Spampinato C. , Kavasidis I. , Aldinucci M. , Pino C. , Giordano D. , Faro A.
Published: October 2013

In this paper, we present a bioinformatics knowledge discovery tool for extracting and validating associations between biological entities. By mining specialized scientific literature, the tool not only generates biological hypotheses in the form of associations between genes, proteins, miRNA and diseases but also validates the plausibility of such associations against high‐throughput biological data (e.g. microarray) and annotated databases (e.g. Gene Ontology). Both the knowledge discovery system and its validation are carried out by exploiting the advantages and the potentialities of the Cloud, which allowed us to derive and check the validity of thousands of biological associations in a reasonable amount of time. The system was tested on a dataset containing more than 1000 gene–disease associations achieving an average recall of about 71%, outperforming existing approaches. The results also showed that porting a data‐intensive application in an Infrastructure as a Service cloud environment boosts significantly the application's efficiency. Copyright © 2013 John Wiley & Sons, Ltd.
Gold‐Nanoparticle‐Based Catalysts for the Oxidative Esterification of 1,4‐Butanediol into Dimethyl Succinate
Authors: Brett Gemma L. , Miedziak Peter J. , He Qian , Knight David W. , Edwards Jennifer K. , Taylor Stuart H. , Kiely Christopher J. , Hutchings Graham J.
Published: October 2013

The oxidation of 1,4‐butanediol and butyrolactone have been investigated by using supported gold, palladium and gold–palladium nanoparticles. The products of such reactions are valuable chemical intermediates and, for example, can present a viable pathway for the sustainable production of polymers. If both gold and palladium were present, a significant synergistic effect on the selective formation of dimethyl succinate was observed. The support played a significant role in the reaction, with magnesium hydroxide leading to the highest yield of dimethyl succinate. Based on structural characterisation of the fresh and used catalysts, it was determined that small gold–palladium nanoalloys supported on a basic Mg(OH)2 support provided the best catalysts for this reaction.
Conversion of Cellulose into Isosorbide over Bifunctional Ruthenium Nanoparticles Supported on Niobium Phosphate
Authors: Sun Peng , Long Xiangdong , He Hao , Xia Chungu , Li Fuwei
Published: October 2013

Considerable effort has been applied to the development of new processes and catalysts for cellulose conversion to valuable platform chemicals. Isosorbide is among the most interesting products as it can be applied as a monomer and building block for the future replacement of fossil resource‐based products. A sustainable method of isosorbide production from cellulose is presented in this work. The strategy relies on a bifunctional Ru catalyst supported on mesoporous niobium phosphate in a H2 atmosphere under pressure without further addition of any soluble acid. Over 50 % yield of isosorbide with almost 100 % cellulose conversion can be obtained in 1 h. The large surface area, pore size, and strong acidity of mesoporous niobium phosphate promote the hydrolysis of cellulose and dehydration of sorbitol; additionally, the appropriate size of the supported Ru nanoparticles avoids unnecessary hydrogenolysis of sorbitol. Under a cellulose/catalyst mass ratio of 43.3, the present bifunctional catalyst could be stably used up to six times, with its mesoporous structure well preserved and without detectable Ru leaching into the reaction solution.
PIC Simulation of Current‐Driven Buneman Instability in Presence of Collisional and Thermal Effects
Authors: Hashemzadeh M. , Niknam A. R. , Komaizi D.
Published: October 2013

Collisional and thermal effects on the nonlinear evolution of Buneman instability in an unmagnetized current‐driven plasma are investigated by particle in cell simulations. These simulations show that, as the time passes, the electron distribution function profiles deviate from initial shifted Maxwellian distribution and the electron phase‐space holes can be formed. The electron distribution function profiles also indicate the counter‐streaming and plateau formation. Moreover, the contour of the electric field and profiles of the growth rate display the resonance condition for this instability. Finally, the time evolution of the electric field energy density and ion kinetic energy in the presence of collisional and thermal effects are presented. These evolutions illustrate that in the presence of collisions, the growth rate of the Buneman instability is smaller than the collisionless case. (© 2013 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)
X‐Region: A framework for location privacy preservation in mobile peer‐to‐peer networks
Authors: Che Yanzhe , He Qinming , Hong Xiaoyan , Chiew Kevin
Published: October 2013

While enjoying various LBS (location‐based services), users also face the threats of location privacy disclosure. This is because even if the communications between users and LBS providers can be encrypted and anonymized, the sensitive information inside LBS queries may disclose the exact location or even the identity of a user. The existing research on location privacy preservation in mobile peer‐to‐peer (P2P) networks assumed that users trust each other and directly share location information with each other. Nonetheless, this assumption is not practical for most of the mobile P2P scenarios, for example, an adversary can pretend to be a normal user and collect the locations of other users. Aiming at this issue, this paper presents x‐region as a solution to preserve the location privacy in a mobile P2P environment where no trust relationships are assumed amongst mobile users. The main idea is to allow users to share a blurred region known as x‐region instead of their exact locations so that one cannot distinguish any user from others inside the region. We propose a theoretical metric for measuring the anonymity property of x‐region, together with three algorithms for generating an x‐region, namely, benchmark algorithm, weighted expanding algorithm, and aggressive weighted expanding algorithm. These algorithms achieve the anonymity and QoS requirements with different strategies. Our experiments verify the performance of the algorithms against three key metrics. Copyright © 2013 John Wiley & Sons, Ltd.
Asymmetric active cooperation strategy in spectrum sharing game with imperfect information
Authors: Jia Yun , Zhang Zhongzhao , Tan Xuezhi , Liu Xin
Published: October 2013

In this paper, we study the spectrum sharing problem in the cognitive network where two secondary users coexist and interfere with each other in an unlicensed channel. Each user in our scenario is independent and is unaware of the characteristic of its rival but its statistics (imperfect information). An important issue is the interaction among selfish independent wireless communication systems (secondary users) who aim to maximize their own current utility. We provide a self‐enforcing spectrum sharing framework, which has the advantage of not requiring a control center or communicating between two users. The short‐term profits of users gained before cooperation being builded are asymmetrical. The long‐term profit is used as the user's utility. Users improve their long‐term profits by creating mutual cooperation actively. The historical action of the user is used by its rival to evaluate/update the current action. The action updating algorithm is provided. Moreover, we investigate the stability of the cooperation. As demonstrated, the proposed scheme can build mutual cooperation through extensive simulations. The existence of equilibrium is confirmed by the repeated game. And our scheme can achieve a good trade‐off between short‐term profits and long‐term profits. Copyright © 2013 John Wiley & Sons, Ltd.
Impaired decline in renal threshold for glucose during pregnancy – a possible novel mechanism for gestational diabetes mellitus
Authors: Klein Pinchas , Polidori David , Twito Orit , Jaffe Anat
Published: October 2013

Background

The renal threshold for glucose (RTG) is determined by the nephron's reabsorptive capacity. Glucose is reabsorbed through sodium‐coupled glucose cotransporters in the proximal tubules. During pregnancy, renal glucose reabsorptive capacity decreases, possibly, due to reduced glucose transporter expression. Our hypothesis is that inadequate decrease in RTG during pregnancy will make women more prone to develop gestational diabetes mellitus (GDM).

Methods

Pregnant women (n = 40) who were referred to our center for oral glucose tolerance test (OGTT) were included in the analysis. Plasma glucose levels and urinary glucose excretion were measured for 4 h after 100 g oral glucose load. These data were used to calculate RTG. The subjects were divided into two cohorts, GDM and non‐GDM, according to the OGTT results. Mean RTG was compared between the two groups.

Results

Fifteen (37.5%) of the women were diagnosed with GDM. Seventeen participants had only trace amounts of urinary glucose excretion, and no value of RTG could be determined; RTG was determined in the other 23 subjects. Among these 23 women, 13 were diagnosed as GDM, and 10 had normal OGTT. RTG was lower in the non‐GDM women (146 ± 14 mg/dL) than in the GDM women (182 ± 18 mg/dL), p < 0.001.

Conclusions

Gestational diabetes mellitus is associated with higher RTG during pregnancy compared with non‐GDM. These results support our hypothesis that inadequate decrease of the RTG may have a pathophysiological role in the development of GDM. Copyright © 2013 John Wiley & Sons, Ltd.
Canonical Wnt signaling regulates Nkx3.1 expression and luminal epithelial differentiation during prostate organogenesis
Authors: Kruithof‐de Julio Marianna , Shibata Maho , Desai Nishita , Reynon Melissa , Halili M. Vivienne , Hu Ya‐Ping , Price Sandy M. , Abate‐Shen Cory , Shen Michael M.
Published: October 2013

COVER PHOTOGRAPH: Inhibition of canonical Wnt signaling affects prostate bud outgrowth and luminal epithelial differentiation in explant culture. Immunostaining for FoxA1 (red) and cytokeratin 5 (green) in a section from a 15.5 dpc urogenital sinus explant cultured for 7 days in Dkk1‐containing media. From Canonical Wnt Signaling Regulates Nkx3.1 Expression and Luminal Epithelial Differentiation During Prostate Organogenesis, Marianna Kruithof‐de Julio, Maho Shibata, Nishita Desai, Melissa Reynon, M. Vivienne Halili, Ya‐Ping Hu, Sandy M. Price, Cory Abate‐Shen, and Michael M. Shen, Developmental Dynamics 242:1160–1171.
Dronabinol in severe, enduring anorexia nervosa: A randomized controlled trial
Authors: Andries Alin , Frystyk Jan , Flyvbjerg Allan , Støving René Klinkby
Published: October 2013

Objective

The evidence for pharmacological treatment of severe, longstanding anorexia nervosa (AN) is sparse and the few controlled pharmacologic studies have focused on a narrow range of drugs. The aim of the present study was to investigate the effects of treatment with a synthetic cannabinoid agonist on body weight and eating disorder‐related psychopathological personality traits in women with severe, enduring AN.

Method

This add‐on, prospective, randomized, double blind, controlled crossover study was conducted between 2008 and 2011 at a specialized care center for eating disorders. Twenty‐five women over 18 years with AN of at least 5 years duration were randomized to treatment with either dronabinol‐placebo or placebo‐dronabinol. In addition to the standardized baseline therapeutic regime, the participants received dronabinol, 2.5 mg twice daily for 4 weeks and matching placebo for 4 weeks, separated by a 4‐week wash‐out period. Primary outcome was the mean change in body weight. Secondary outcome was score changes on the Eating Disorder Inventory‐2 (EDI‐2). Data were analyzed for the 24 patients who completed the trial.

Results

During dronabinol treatment, participants gained 0.73 kg (t = 2.86, df = 22, p < 0.01) above placebo without significant psychotropic adverse events. Dronabinol significantly predicted weight gain in a multiple linear regression including EDI‐2 body dissatisfaction score and leptin. EDI‐2 subscale scores showed no significant changes over time.

Discussion

Dronabinol therapy was well tolerated. During four weeks of exposure it induced a small but significant weight gain in the absence of severe adverse events. © 2013 Wiley Periodicals, Inc. (Int J Eat Disord 2014; 47:18–23)
Degradation of chemical alarm cues and assessment of risk throughout the day
Authors: Chivers Douglas P. , Dixson Danielle L. , White James R. , McCormick Mark I. , Ferrari Maud C. O.
Published: October 2013

The use of chemical information in assessment of predation risk is pervasive across animal taxa. However, by its very nature, chemical information can be temporally unreliable. Chemical cues persist for some period of time after they are released into the environment. Yet, we know surprisingly little about the rate of degradation of chemical cues under natural conditions and hence little about how they function in temporal risk assessment under natural conditions. Here, we conducted an experiment to identify a concentration of fresh alarm cues that evoke a strong antipredator response in coral reef damselfish,Pomacentrus ambonensis. We then tested the rate at which these alarm cues degraded under natural conditions in ocean water, paying attention to whether the rate of degradation varied throughout the day and whether the temporal pattern correlated with physicochemical factors that could influence the rate of degradation. Fresh alarm cues released into ocean water evoke strong avoidance responses in juvenile fish, while those aged for 30 min no longer evoke antipredator responses. Fish exposed to cues aged for 10 or 20 min show intermediate avoidance responses. We found a marked temporal pattern of response throughout the day, with much faster degradation in early to mid‐afternoon, the time of day when solar radiation, temperature, dissolved oxygen, andpHare nearing their peak. Ecologists have spent considerable effort elucidating the role of chemical information in mediating predator–prey interactions, yet we know almost nothing about the temporal dynamics of risk assessment using chemical information. We are in dire need of additional comparative field experiments on the rate of breakdown of chemical cues, particularly given that global change in UV radiation, temperature, and water chemistry could be altering the rates of degradation and the potential use of this information in risk assessment.
What remains from a 454 run: estimation of success rates of microsatellite loci development in selected newt species (Calotriton asper, Lissotriton helveticus, and Triturus cristatus) and comparison with Illumina‐based approaches
Authors: Drechsler Axel , Geller Daniel , Freund Katharina , Schmeller Dirk S. , Künzel Sven , Rupp Oliver , Loyau Adeline , Denoël Mathieu , Valbuena‐Ureña Emilio , Steinfartz Sebastian
Published: October 2013

The development of microsatellite loci has become more efficient using next‐generation sequencing (NGS) approaches, and many studies imply that the amount of applicable loci is large. However, few studies have sought to quantify the number of loci that are retained for use out of the thousands of sequence reads initially obtained. We analyzed the success rate of microsatellite loci development for three amphibian species using a 454 NGS approach on tetra‐nucleotide motif‐enriched species‐specific libraries. The number of sequence reads obtained differed strongly between species and ranged from 19,562 for Triturus cristatus to 55,626 for Lissotriton helveticus, with 52,075 reads obtained for Calotriton asper. PHOBOS was used to identify sequences with tetra‐nucleotide repeat motifs with a minimum repeat number of ten and high quality primer binding sites. Of 107 sequences for T. cristatus, 316 for C. asper and 319 for L. helveticus, we tested the amplification success, polymorphism, and degree of heterozygosity for 41 primer combinations each for C. asper and T. cristatus, and 22 for L. helveticus. We found 11 polymorphic loci for T. cristatus, 20 loci for C. asper, and 15 loci for L. helveticus. Extrapolated, the number of potentially amplifiable loci (PALs) resulted in estimated species‐specific success rates of 0.15% (T. cristatus), 0.30% (C. asper), and 0.39% (L. helveticus). Compared with representative Illumina NGS approaches, our applied 454‐sequencing approach on specifically enriched sublibraries proved to be quite competitive in terms of success rates and number of finally applicable loci.
Context‐specific effects of the identity of detrital mixtures on invertebrate communities
Authors: Bishop Melanie J. , Kelaher Brendan P.
Published: October 2013

Many aquatic ecosystems are sustained by detrital subsidies of leaf litter derived from exogenous sources. Although numerous studies have examined the effects of litter species richness and identity on decomposition processes, it remains unclear how these effects extend to associated invertebrate communities or how these effects vary spatially according to local environmental context. Using field enrichment experiments, we assessed how the species richness, assemblage composition, and supply of detrital litter resources interact to affect benthic communities of three temperate Australian estuarine mudflats. Our experiments utilized eight litter sources that are presently experiencing human‐mediated changes in their supply to estuarine mudflats. Contrary to predictions, we did not detect effects of the species richness of detrital mixtures on benthic communities. Macroinvertebrate community structure and, in particular, abundance were, instead, influenced by the assemblage composition of detrital mixtures. At two of the three sites, plots receiving the most labile detrital mix, containing the ephemeral algae Chaetomorpha and Ulva, supported the fewest macroinvertebrates of all the experimental enrichments. The large effect of detrital mix identity on macroinvertebrate communities is of concern given present trends of proliferation of macroalgae at the expense of more refractory seagrasses and marsh grasses. As such environmental degradation continues, it will be important to more fully understand under what environmental contexts such compositional changes in detrital resources will have the most detrimental effects on important prey resources for commercially important fish and wading shorebirds.
Synthesis, Characterization and Luminescence of Gold Complexes Bearing an NHC Ligand Based on the Imidazo[1,5‐a]quinolinol Scaffold
Authors: Kriechbaum Margit , Winterleitner Gerda , Gerisch Alexander , List Manuela , Monkowius Uwe
Published: October 2013

We report on the synthesis and characterization of an NHC ligand based on the imidazo[1,5‐a]quinolinol scaffold. The benzyl‐protected NHC precursor was used for the preparation of the corresponding AgI, AuI and AuIII complexes. The molecular structures of the AuI and AuIII halide complexes determined by single‐crystal X‐ray diffraction reveal considerable distortion of the rigid NHC moiety due to steric repulsion between the gold and oxygen atoms. At ambient temperature, the complexes are weakly fluorescent from an intraligand excited state, whereas at 77 K the emission spectra are dominated by intraligand phosphorescence.
Helical Oxidovanadium(IV) Salen‐Type Complexes: Synthesis, Characterisation and Catalytic Behaviour
Authors: Barman Sanmitra , Patil Smita , Desper John , Aikens Christine M. , Levy Christopher J.
Published: October 2013

Chiral [VO(salen)] complexes (R,R)‐7 and (R,R)‐8 were synthesised by ligand replacement from [VO(acac)2] with the resolved (1R,2R)‐cyclohexyl ligands 3,3′‐[(1R,2R)‐1,2‐cyclohexane‐diylbis(nitrilomethylidyne)]bis‐4‐phenanthrenol [(R,R)‐3] and 3,3′‐[(1R,2R)‐1,2‐cyclohexanediylbis(nitrilomethylidyne)]bisbenz[a]anthracen‐1‐ol [(R,R)‐4], respectively. Similarly, complexes (R)‐9 and (R)‐10 were synthesised using the (R)‐binaphthyl ligands 3,3′‐[(1R)‐(1,1′‐binaphthalene)‐2,2′‐diylbis(nitrilomethylidyne)]bis‐4‐phenanthrenol [(R)‐5] and 3,3′‐[(1R)‐(1,1′‐binaphthalene)‐2,2′‐diylbis(nitrilomethylidyne)]bis‐benz[a]anthracen‐1‐ol [(R)‐6], respectively. These complexes were characterised by IR spectroscopy, ESI‐TOF‐MS, electronic absorption spectroscopy and circular dichroism (CD). Single crystal X‐ray analysis of (R,R)‐7 and (R,R)‐8 revealed distorted square pyramidal geometries and a 1:1 ratio of diastereomeric M and P helical conformers. Solution CD studies in THF combined with DFT calculations indicate that the M conformer dominates in solution for (R,R)‐7. Preliminary catalytic oxidation of thioanisole with H2O2 and 1 % [VO(salen)] showed good selectivity for sulfoxides over sulfones but low enantioselectivities (8 to 33 %) which are solvent dependent but insensitive to the catalyst used.
Synthesis and Structural Characterisation of Hafnium(IV) Mono‐ and Diphthalocyanines Obtained under Oxidation Conditions with Halogens
Authors: Janczak Jan , Kubiak Ryszard
Published: October 2013

New sandwich‐type hafnium(IV) diphthalocyaninato and hafnium(IV) monophthalocyaninato complexes were obtained in crystalline form under oxidation conditions with halogens. Partially oxidised by iodine, a sandwich‐type hafnium(IV) diphthalocyaninato complex with a composition of HfPc2I2 (Pc2– = phthalocyaninate) crystallizes in two crystalline modifications 1 and 2, depending on the thermal conditions. Both modifications are tetragonal and differ in the disordering model. Statistically, in both modifications, in two of three [HfPc2] sandwich units the closed‐shell d0 Hf4+ cation is sandwiched by a phthalocyaninato ligand (Pc2–) and a one‐electron‐oxidised Pc–· π‐radical ligand. The π‐radical character of the Pc–· ligand was detected by EPR spectroscopy. In 1, the Hf4+ and the symmetrical triiodide ions, which were detected by resonance Raman spectroscopy, are disordered in the crystal. However, in crystal 2, only the symmetrical I3– anions are disordered, but the Hf4+ cations are ordered. The hafnium(IV) monophthalocyanines with the composition of HfPcI2Pht (3) and HfPcBr2Pht (4) (Pht = phthalonitrile) are isostructural. The seven‐coordinate Hf4+ cation is surrounded by four isoindole N atoms of a Pc2– macrocycle, two halides (I– or Br–), and by a N atom of one of the two cyano groups of phthalonitrile. The last compound with a composition of HfPcCl2 (5) exists as a doubly bridged dimeric complex, bis[(μ2‐chlorido)chlorido(phthalocyaninato) hafnium(IV)], in which the coordination number seven of Hf4+ cations is achieved by four isoindole N atoms of Pc2–, two bridging, and one terminal Cl– ligand. The π–π interactions between the Pc macrocycles in the sandwich system [HfPc2] have an influence on the HOMO–LUMO transition, compared with the hafnium(IV) monophthalocyanines, and result in a blueshift of approximately 20 nm compared to that observed for hafnium(IV) monophthalocyanines.
The Effect of the Hydrogenation Temperature on TiO2 Nanostructures for Photoelectrochemical Water Oxidation
Authors: Yang Yi , Ling Yichuan , Wang Gongming , Li Yat
Published: October 2013

We report the photoelectrochemical (PEC) performance of titanium dioxide (TiO2) based photoanodes for water oxidation as a function of the hydrogenation temperature. The hydrogen‐treatment strategy has recently been demonstrated as a simple and effective strategy to improve the performance of TiO2 photoanodes for the PEC water oxidation. However, the performance of those hydrogenated TiO2 photoanodes decreased gradually when the hydrogenation temperature was above 350 °C. This was attributed to the degradation of the fluorine‐doped tin oxide (FTO) substrate. To eliminate the influence of the substrate and to evaluate the effect of the hydrogenation temperature on the performance of TiO2 photoanodes, in this study we synthesized rutile, anatase, and mixed‐rutil/anatase phase TiO2 nanowire arrays on titanium (Ti) foils. These TiO2 nanowires were hydrogenated in a temperature range between 350 and 550 °C, in which the resistance of Ti foil remained unchanged. We found that the rutile‐ and anatase‐hydrogenated TiO2 photoanodes achieved the optimal performance for PEC water oxidation at a hydrogenation temperature of 350 and 550 °C, respectively. The optimal hydrogenation temperature is believed to be related to the carrier density of TiO2. These results could provide important insights for the improvement of the performance of TiO2 materials as photoelectrodes for PEC water oxidation as well as for other solar‐energy conversion devices.
Synthesis and Skeletal Transformations of Trinuclear Palladium and Nickel Phosphido Complexes
Authors: Arras Janet , Eichele Klaus , Wesemann Lars
Published: October 2013

Trinuclear phosphido complexes of palladium and nickel were synthesized and characterized. [M{(2‐Me2NC6H4)PPh}(OAc)]3 [M = Pd (2), Ni (6)] were obtained from the respective acetate, [Pd(OAc)2]3 or [Ni(OAc)2(H2O)4], in reactions with the secondary aminophosphane (2‐Me2NC6H4)PHPh (1). The chloride derivative [Pd{(2‐Me2NC6H4)PPh}Cl]3 (4a) was generated from the reaction of the chelating ligand 1 with Na2PdCl4. The reaction of the acetate 2 with p‐toluenesulfonic acid (pTsOH) led to the formation of the tosylate analogue [Pd{(2‐Me2NC6H4)PPh}(OTs)]3 (3). From the reaction of the tosylate trimer 3 with CsCl, CsBr or NaI, the substitution products [Pd{(2‐Me2NC6H4)PPh}X]3 [X = Cl (4a), Br (4b), I (4c)] were isolated. From the reaction of the acetate 2 with HBF4 or HClO4 in acetonitrile, the solvent adduct [Pd(NP)(NCCH3)]33+ was isolated as the BF4– (5a) or ClO4– salt (5b). The phosphido‐bridged complexes were characterized by single‐crystal structural analyses (2, 4, 5a and 6), solution NMR experiments, and in the case of 2 and 4a by solid‐state 31P cross‐polarization magic‐angle spinning NMR spectroscopy. The crystal structures show the six‐membered (MP)3 cores in twist‐boat or boat conformations that appear to be maintained in solution, according to NMR evidence. A search for (MP)3 structures in the Cambridge Structural Database reveals that these two conformations are the most common ones (46 % twist‐boat, 21 % boat, 17 % chair).
Assembly of Silver–Organic Frameworks Containing Trifluoroacetate, Embedded 1,5‐Hexadiyne‐1,6‐diide, and Ancillary Nitrogen‐Donor Ligands
Authors: Hu Ting , Mak Thomas C. W.
Published: October 2013

Ten new silver(I) trifluoroacetate complexes containing the 1,5‐hexadiyne‐1,6‐diide dianion and various types of ancillary heteroaromatic N‐donor ligands, namely, Ag2C6H4·5AgCF3CO2·4H2O (1), Ag2C6H4·5AgCF3CO2·3L1 (L1 = imidazole) (2), 3Ag2C6H4·10AgCF3CO2·4L2 (L2 = pyrazole, 3), Ag2C6H4·AgCF3CO2·5L3·H2O (L3 = 3,5‐dimethylpyrazole, 4), Ag2C6H4·5AgCF3CO2·2L4 (L4 = 2,2′‐bipyridine, 5), Ag2C6H4·3AgCF3CO2·L5 [L5 = trans‐1,2‐di(4‐pyridyl)ethylene, 6], Ag2C6H4·4AgCF3CO2·L6 (L6 = 1,4‐dicyanobenzene, 7), Ag2C6H4·6AgCF3CO2·2AgL7·H2O (HL7 = 4‐pyridinecarboxylic acid, 8), Ag2C6H4·3AgCF3CO2·2AgL8 (HL8 = pyrazine‐2‐carboxylic acid, 9), and Ag2C6H4·3AgCF3CO2·2AgL9·H2O (HL9 = 4‐cyanobenzencarboxylic acid, 10) have been synthesized and characterized by single‐crystal X‐ray analysis. All complexes are based on assemblies with the multinuclear metal–ligand supramolecular synthon C6H4⊂Agn (n = 7, 8, 9), in which the C6H42– ligand has a gauche configuration. Complexes 2, 4, and 5 each possess an infinite argentophilic silver(I) chain coordinated by N‐donor ligands, and such coordination chains are further interlinked into a three‐dimensional supramolecular architecture through hydrogen bonding. Complexes 1, 3, and 7 exhibit coordination layers, which are further connected into three‐dimensional supramolecular frameworks through hydrogen bonding (1 and 3) or π···π stacking interactions (7). Complexes 6, 8, 9, and 10 all have a three‐dimensional coordination network with ancillary N‐donor ligands as bridge linkers.
Structure and Photoluminescent Properties of Lanthanide Coordination Polymers Formed by the Interweaving of Bis(triple‐stranded) Helical Chains
Authors: Bo Qi‐Bing , Zhang Hai‐Tao , Miao Jin‐Ling , Zhang Zhen‐Wei
Published: October 2013

Seven novel lanthanide coordination polymers (CPs) with the general formula [Ln2(cpp)3(H2O)·(H2O)]n [Ln = Pr (cpp‐Pr), Nd (cpp‐Nd), Sm (cpp‐Sm), Eu (cpp‐Eu), Tb (cpp‐Tb), Er (cpp‐Er), and Yb (cpp‐Yb)] have been synthesized by hydrothermal reactions of the corresponding lanthanide nitrates and the ligand 3‐(4‐chlorophenyl)pentanedioic acid (H2cpp). All of the lanthanide CPs were structurally characterized by elemental analysis, FTIR spectroscopy, TG analysis, single‐crystal X‐ray diffraction, and X‐ray powder diffraction (XRPD), and their photoluminescent properties were also investigated. X‐ray crystallographic analysis revealed that all of the lanthanide CPs are isostructural. The high coordination numbers and flexible coordination modes of the lanthanide ions, together with the flexible nature of the ligand H2cpp and the steric hindrance effects of the bulky chlorophenyl groups, bestow on the novel lanthanide CPs interesting structural features. Their overall structures can be described as 2D tubular meso‐helices, which result from the interweaving of bis(triple‐stranded) helical chains. As a result of efficient energy transfer from the ligands to metal ions, cpp‐Eu and cpp‐Tb are highly luminescent and exhibit intense emission bands in the visible region characteristic of the corresponding lanthanide ions. The solid‐state quantum yields and average lifetimes were determined to be 20 ± 3 % and τa(5D0) = 0.43 ± 0.02 ms for cpp‐Eu and 39 ± 3 % and τa(5D4) = 0.85 ± 0.01 ms for cpp‐Tb. In contrast, cpp‐Pr, cpp‐Nd, cpp‐Sm, cpp‐Er, and cpp‐Yb all display similar emission spectra originating from the ligand‐centered (LC) or ligand‐to‐ligand charge‐transfer (LLCT) excited state in the visible region. In addition, the near‐infrared (NIR) emission behavior of cpp‐Nd, cpp‐Er, and cpp‐Yb is also reported.
Ferromagnetic Interactions through Hydrogen Bonds in a One‐Dimensional NiII Coordination Polymer
Authors: Cortijo Miguel , González‐Prieto Rodrigo , Herrero Santiago , Jiménez‐Aparicio Reyes , Sánchez‐Rivera Paula
Published: October 2013

A one‐dimensional coordination polymer [Ni(tp)(OH2)4] (1) (tp = –O2CC6H4CO2–; terephthalate) has been synthesized under environmentally friendly conditions. It has been characterized by elemental analysis, infrared spectroscopy, thermogravimetry, single‐crystal and powder X‐ray diffraction, and magnetic measurements. Compound 1 is a rare example of 1D polymeric NiII dicarboxylate that shows ferromagnetic interactions through hydrogen bonds. The zigzag arrangement of the NiII octahedral units connected by hydrogen bonds distinguishes compound 1 from other [Ni(dicarboxylate)(OH2)4] compounds, in which the interactions are antiferromagnetic.
Stereocontrolled Synthesis of a Cn–Cn+7Building Block (“Eastern Moiety”) for the Unnatural Enantiomers of Important Polyol,Polyene Antibiotics Based on a Ring‐Closing Metathesis and an Aldol Addition of a Lactone Enolate
Authors: Kamptmann Sonja B. , Brückner Reinhard
Published: October 2013

A stereocontrolled synthesis of epoxide6, which represents the Cn–Cn+7or “eastern moiety” building block for the title compounds, has been realized in 19 steps. Our synthesis started from tetrabromoacetone26and afforded dibromotriene33bin six steps. The latter was subjected to a ring‐closing metathesis, which gave the dibromovinyl‐substituted lactone34in high yield. A highly stereoselective conjugate addition/enolate aldolization sequence established the additional stereocenters with perfect selectivity. Epoxide47bwas reached in another eight steps, which included a C–SiMe2Ph → C–OH oxidation in the presence of an acetal group. The final structure6was completed by hydrostannylation/brominolysis.
Facile Installation of a Hydroxyalkyl Group into Hydroxyanthraquinones and Aminoanthraquinones through the Modified Marschalk Reaction
Authors: Zhao Li‐Ming , Ma Feng‐Yan , Jin Hai‐Shan , Ma Jiao , Wang Huan , Fu Chuan‐Zhao
Published: October 2013

1,4‐Dihydroxyanthraquinones are widely featured in numerous natural products and drugs. It is important to be able to functionalize the 1,4‐dihydroxyanthraquinone skeleton through a simple yet efficient transformation, which could be potentially useful for the drug discovery process. We describe herein a simple and efficient method to derivatize 1,4‐dihydroxyanthraquinone by using a modified Marschalk reaction. This method provides a clear advantage over traditional approaches, which often require the protection and deprotection of the OH groups. We also demonstrate the applicability of this reaction to other hydroxyanthraquinones and aminoanthraquinones.
endo,endo‐2,4‐Bis(azidomethyl)bicyclo[1.1.0]butane: A Highly Strained Organic Diazide
Authors: Herberth Edith , Christl Manfred
Published: October 2013

Although it was previously shown that endo,endo‐bicyclo[1.1.0]butane‐2,4‐dimethanol dimesylate exclusively affords rearranged products upon solvolysis, SN2 reactions could now be achieved by application of special conditions. Even if two cyclopentenes emerged with tributylhexadecylphosphonium bromide (QBr) as the nucleophile, QCN mainly brought about the desired dinitrile having an intact bicyclo[1.1.0]butane system. In particular, the title diazide was readily accessible with QN3. This diazide was characterized by conversion into a bis(triazole) by using dimethyl acetylenedicarboxylate as the dipolarophile.
Integrating the stereotype content model (warmth and competence) and the Osgood semantic differential (evaluation, potency, and activity)
Authors: Kervyn Nicolas , Fiske Susan T. , Yzerbyt Vincent Y.
Published: October 2013

We integrate two prominent models of social perception dimensionality. In three studies, we demonstrate how the well‐established semantic differential dimensions of evaluation and potency relate to the stereotype content model dimensions of warmth and competence. Specifically, using a correlational design (Study 1) and experimental designs (Studies 2 and 3), we found that semantic differential dimensions run diagonally across stereotype content model quadrants. Implications of integrating classic and modern approaches of social perception are discussed. Copyright © 2013 John Wiley & Sons, Ltd.
One‐Step Synthesis of β‐Cyclodextrin Functionalized Graphene/Ag Nanocomposite and Its Application in Sensitive Determination of 4‐Nitrophenol
Authors: Liu Weilu , Li Cong , Gu Yue , Tang Liu , Zhang Zhiquan , Yang Ming
Published: October 2013

β‐Cyclodextrin functionalized graphene/Ag nanocomposite (β‐CD/GN/Ag) was prepared via a one‐step microwave treatment of a mixture of graphene oxide and AgNO3. β‐CD/GN/Ag was employed as an enhanced element for the sensitive determination of 4‐nitrophenol. A wide linear response to 4‐nitrophenol in the concentration ranges of 1.0×10−8–1.0×10−7 mol/L, and 1.0×10−7–1.5×10−3 mol/L was achieved, with a low detection limit of 8.9×10−10 mol/L (S/N=3). The mechanism and the heterogeneous electron transfer kinetics of the 4‐nitrophenol reduction were discussed according to the rotating disk electrode experiments. Furthermore, the sensing platform has been applied to the determination of 4‐nitrophenol in real samples.
Sensitive Electrochemical Aptasensor for Thrombin Detection with Platinum Nanoparticles, Blocking Reagent‐Horseradish Peroxidase and Graphene Oxide as Enhancers
Authors: Xu Zenghong , He Chun , Sun Tao , Wang Li
Published: October 2013

A highly sensitive thrombin electrochemical aptasensor with Pt nanoparticles, blocking reagent‐horseradish peroxidase (HRP) and inert graphene oxide (GO) as enhancers was successfully fabricated. Firstly, Pt nanoparticles with high surface to volume ratio could increase the amount of the immobilized redox probe hexacyanoferrate nanoparticles (NiHCFNPs) and effectively enhance the electron transfer. Secondly, HRP and Pt nanoparticles with high catalytic activity extremely amplify the electrochemical signal of NiHCFNPs toward H2O2. Lastly, inert graphene oxide (GO) labeled TBA could be used for enlarging the steric hindrance of thrombin. As a result, the aptasensor showed a high sensitivity with a detection limit of 500 fM.