bluuebunny/crossref_metadata_2025 huggingface dataset:
Native Chemical Ligation to Minimize Aspartimide Formation during Chemical Synthesis of Small LDLa Protein
Authors: Tailhades Julien , Sethi Ashish , Petrie Emma J. , Gooley Paul R. , Bathgate Ross A. , Wade John D. , Hossain Mohammed A.
Published: November 2015

The inhibition of the G protein‐coupled receptor, relaxin family peptide receptor 1 (RXFP1), by a small LDLa protein may be a potential approach for prostate cancer treatment. However, it is a significant challenge to chemically produce the 41‐residue and three‐disulfide cross‐bridged LDLa module which is highly prone to aspartimide formation due to the presence of several aspartic acid residues. Known palliative measures, including addition of HOBt to piperidine for Nα‐deprotection, failed to completely overcome this side reaction. For this reason, an elegant native chemical ligation approach was employed in which two segments were assembled for generating the linear LDLa protein. Acquisition of correct folding was achieved by using either a regioselective disulfide bond formation or global oxidation strategies. The final synthetic LDLa protein obtained was characterized by NMR spectroscopic structural analysis after chelation with a Ca2+ ion and confirmed to be equivalent to the same protein obtained by recombinant DNA production.
ChemInform Abstract: The Influence of Mn Doping on the Properties of Ge4Sb2Te7.
Authors: Welzmiller Simon , Heinke Frank , Huth Paula , Bothmann Georg , Scheidt Ernst‐Wilhelm , Wagner Gerald , Scherer Wolfgang , Poeppl Andreas , Oeckler Oliver
Published: November 2015

The Mn‐doped compounds Ge3MnSb2Te7 and Ge3.5Mn0.5Sb2Te7 are prepared from stoichiometric mixtures of the elements (silica ampules, 950 °C for 24 h, quenching and subsequent annealing at 550 °C for 96 h).
ChemInform Abstract: Large Magnetization and Frustration Switching of Magnetoresistance in the Double‐Perovskite Ferrimagnet Mn2FeReO6.
Authors: Arevalo‐Lopez Angel M. , McNally Graham M. , Attfield J. Paul
Published: November 2015

Mn2FeReO6 is prepared by hot pressing of a stoichiometric mixture of Mn3O4, Fe3O4, and ReO2 (Pt capsule in multianvil press, 11 GPa, 1400 °C, 20 min).
ChemInform Abstract: Large Magnetocaloric Effect Near Room Temperature in Mn—Fe—P—Ge Nanostructured Powders.
Authors: Chen X. , Ramanujan R. V.
Published: November 2015

Polycrystalline Mn1.1Fe0.9P1‐xGex (x = 0.13, 0.19, 0.21, 0.26, 0.32) alloys are prepared by arc melting followed by ball milling in Ar atmosphere and subsequent annealing in vacuum at 950 °C for 12 h.
ChemInform Abstract: Search for Fe Magnetic Ordering in the 40 K Superconductor (Li0.8 Fe0.2)OHFeSe.
Authors: Nejadsattari Farshad , Stadnik Zbigniew M.
Published: November 2015

Polycrystalline samples of the title superconductor are hydrothermally prepared according to the literature.
ChemInform Abstract: Facile Synthesis and Electroactivity of 3‐D Hierarchically Superstructured Cobalt Orthophosphate for Lithium‐Ion Batteries.
Authors: Choi Changhoon , Seo Seung‐Deok , Shim Hyun‐Woo , Dar Mushtaq Ahmad , Cho In Sun , Kim Dong‐Wan
Published: November 2015

A three‐dimensional hierarchical cobalt orthophosphate, Co3(PO4)2 is synthesized from aqueous solutions of Co(NO3)2, (NH4)2HPO4, and NH4 (pH 4—7, 65 °C, 6 h), followed by annealing of the obtained Co3(PO4)2·8H2O powder at 600 °C for 1 h in air.
ChemInform Abstract: Highly Enantioselective Construction of Tertiary Thioethers and Alcohols via Phosphine‐Catalyzed Asymmetric γ‐Addition Reactions of 5H‐Thiazol‐4‐ones and 5H‐Oxazol‐4‐ones: Scope and Mechanistic Understandings.
Authors: Wang Tianli , Yu Zhaoyuan , Hoon Ding Long , Huang Kuo‐Wei , Lan Yu , Lu Yixin
Published: November 2015

For the first time, amino‐acid derived bifunctional phosphines are used as catalysts to synthesize a wide range of substituted thiazolone and oxazolone derivatives.
ChemInform Abstract: An Inverse Electron‐Demand Diene‐Transmissive Hetero‐Diels—Alder Reaction of N‐Sulfonyl‐[3]‐1‐azadendralenes for Stereocontrolled Synthesis of Polyhydroquinolines.
Authors: Kanai Kan , Kobayashi Satoru , Kudo Kenji , Honjo Takuya , Otani Takashi , Saito Takao
Published: November 2015

The hetero‐Diels—Alder reaction of azatrienes (I) with vinyl ethers proceeds with high regio‐ and stereoselectivity to give cycloadducts (III).
ChemInform Abstract: A Well‐Defined Aluminum‐Based Lewis Acid as an Effective Catalyst for Diels—Alder Transformations.
Authors: Liu Zhizhou , Lee Jazreen Hui Qi , Ganguly Rakesh , Vidovic Dragoslav
Published: November 2015

A complex formed by mixing a β‐diketimine stabilized aluminum bistriflate (KAB) with the tetrakisarylboron salt (NAB) generates a more robust catalyst system for standard‐type Diels—Alder reactions.
ChemInform Abstract: Direct Transformation of Esters into Arenes with 1,5‐Bifunctional Organomagnesium Reagents.
Authors: Link Achim , Fischer Christian , Sparr Christof
Published: November 2015

This efficient and practical method enables the one‐step defunctionalization of various carboxylic acid esters to prepare benzene, anthracene, tetracene, and pentacene derivatives.
ChemInform Abstract: Pd‐Catalyzed Allylic Alkynylation of Allylic Acetates with Terminal Alkynes
Authors: Yang Qingjing , Zhou Yongyun , Chen Jingchao , He Xiaobo , Xu Jianbin , Kwong Fuk Yee , Fan Baomin
Published: November 2015

affording 1,4‐enynes under mild reaction conditions
ChemInform Abstract: Fast and Complete Transimination of N—H Imines into O‐Alkyl Oximes.
Authors: Jeon Mina , Gupta Sreya , Im Young‐Woong , Rhee Young Ho , Park Jaiwook
Published: November 2015

The process requires 0.6 equiv.
ChemInform Abstract: B(C6F5)3‐Catalyzed Methylation of Amines Using CO2 as a C1 Building Block.
Authors: Yang Zhenzhen , Yu Bo , Zhang Hongye , Zhao Yanfei , Ji Guipeng , Ma Zhishuang , Gao Xiang , Liu Zhimin
Published: November 2015

Various N‐alkylanilines, dialkylamines, and primary anilines are utilized for the methylation reaction using B(C6F5)3 as efficient metal‐free catalyst.
ChemInform Abstract: Dialkyl Ether Formation by Nickel‐Catalyzed Cross‐Coupling of Acetals and Aryl Iodides.
Authors: Arendt Kevin M. , Doyle Abigail G.
Published: November 2015

The title ether are chemoselectively obtained by a mild, base‐free, and functional‐group tolerant C—C bond‐forming approach.
ChemInform Abstract: Silver(I)‐Catalyzed Regioselective Construction of Highly Substituted α‐Naphthols and Its Application Toward Expeditious Synthesis of Lignan Natural Products.
Authors: Naresh Gunaganti , Kant Ruchir , Narender Tadigoppula
Published: November 2015

The highly substituted α‐naphthols, binaphthols, and anthracenol are synthesized from β‐ketoesters and alkynes using the title method with high regioselectivity.
ChemInform Abstract: Organocatalyzed Cascade Aza‐Michael/Michael Addition for the Asymmetric Construction of Highly Functionalized Spiropyrazolone Tetrahydroquinolines.
Authors: Li Jun‐Hua , Du Da‐Ming
Published: November 2015

An organocatalyzed diastereo‐ and enantioselective cascade aza‐Michael/Michael addition of 2‐tosylaminoenones (II) to unsaturated pyrazolones is developed to afford novel chiral spiropyrazolone tetrahydroquinolines containing three contiguous stereocenters.
ChemInform Abstract: Access to Enantioenriched 2,3‐ and 2,5‐Dihydrofurans with a Fully Substituted C2 Stereocenter by Pd‐Catalyzed Asymmetric Intermolecular Heck Reaction.
Authors: Borrajo‐Calleja Gustavo M. , Bizet Vincent , Buergi Thomas , Mazet Clement
Published: November 2015

A palladium‐catalyzed intermolecular asymmetric Heck reaction of various dihydrofuran derivatives is reported.
ChemInform Abstract: A One‐Pot Diastereoselective Synthesis of 2‐[Aryl(hydroxy)methyl]‐6‐methyl‐2H‐furo[3,2‐c]pyran‐3,4‐diones: Crystallographic Evidence for the Furanone Ring Closure.
Authors: Abdi Yamina , Boutemeur‐Kheddis Baya , Hamdi Maamar , Talhi Oualid , Almeida Paz Filipe A. , Kirsch Gilbert , Silva Artur M. S.
Published: November 2015

10 Title compounds are prepared by a diastereoselective synthesis.
ChemInform Abstract: Expedient Access to Unsymmetrical Diarylindolylmethanes Through Palladium‐Catalyzed Domino Electrophilic Cyclization—Extended Conjugate Addition Approach.
Authors: Reddy Virsinha , Vijaya Anand Ramasamy
Published: November 2015

Annulation of o‐alkynylanilines [e.g. (II)] is followed by 1,6‐conjugate addition with quinone methides to give diarylindolylmethanes under mild conditions in moderate to excellent yields with broad substrate scope.
ChemInform Abstract: Reactivity of Carbon Dioxide in Hydrofluoroethers: A Facile Access to Cyclic Carbonates.
Authors: Mamone Marius , Milcent Thierry , Crousse Benoit
Published: November 2015

The high solubility of CO2 in hydrofluoroethers provides access to various cyclic carbonates (III) with excellent selectivities and yields.
ChemInform Abstract: Asymmetric Conjugate Addition of Alkylzirconocenes to Cyclopent‐4‐ene‐1,3‐dione Monoacetals.
Authors: Rideau Emeline , Maesing Florian , Fletcher Stephen P.
Published: November 2015

The title reaction tolerates various functional groups and gives highly functionalized cyclopentanone derivatives with good levels of enantioselectivity.
ChemInform Abstract: Divergent Synthesis of Imidazoles and Quinazolines via Pd(OAc)2‐Catalyzed Annulation of N‐Allylamidines.
Authors: Xu Li , Li Hongxian , Liao Ziyang , Lou Kaiyan , Xie Hexin , Li Hao , Wang Wei
Published: November 2015

Quinazolines are synthesized as the major products under microwave irradiation in a sealed system, but when the reactions are run under air and in the presence of a ligand, only imidazoles are obtained.
ChemInform Abstract: Double N,B‐Type Bidentate Boryl Ligands Enabling a Highly Active Iridium Catalyst for C—H Borylation.
Authors: Wang Guanghui , Xu Liang , Li Pengfei
Published: November 2015

A dipyridinyl tetraaminodiborane derivative serves as the preligand for the regioselective C—H borylation of a diverse range of electronically and sterically varying aromatic and heteroaromatic compounds.
ChemInform Abstract: Copper‐Catalyzed γ‐Selective and Stereospecific Allylic Cross‐Coupling with Secondary Alkylboranes.
Authors: Yasuda Yuto , Nagao Kazunori , Shido Yoshinori , Mori Seiji , Ohmiya Hirohisa , Sawamura Masaya
Published: November 2015

Utilisation of triphenylphosphine as a ligand allows for the coupling of alkyl‐9‐BBN derivatives with a variety of silicon‐ and non‐silicon‐containing cyclic and acyclic allylic (Z)‐phosphates.
ChemInform Abstract: Structural Revision of Uprolide G Acetate: Effective Interplay Between NMR Data Analysis and Chemical Synthesis.
Authors: Zhu Liangyu , Tong Rongbiao
Published: November 2015

On the basis of NMR data and chemical synthesis, a revised structure is given for uprolide G acetate (I).
ChemInform Abstract: Highly Thermally Conductive and Mechanically Strong Graphene Fibers.
Authors: Xin Guoqing , Yao Tiankai , Sun Hongtao , Scott Spencer Michael , Shao Dali , Wang Gongkai , Lian Jie
Published: November 2015

Graphene fibers are fabricated by wet‐spinning an aqueous large‐size and small‐size graphene oxide (GO) dispersion in a rotating Me3N(C16H33)Br or CaCl2 coagulation bath.
ChemInform Abstract: Ruthenium Pincer Complexes: Ligand Design and Complex Synthesis
Authors: Younus Hussein A. , Ahmad Nazir , Su Wei , Verpoort Francis
Published: November 2015

Review: 270 refs.
ChemInform Abstract: Synthesis, Structure and Antimicrobial Activities of Polymeric and Nonpolymeric Silver and Other Metal Complexes
Authors: Nomiya Kenji , Kasuga Noriko Chikaraishi , Takayama Akihiko
Published: November 2015

Review: 166 refs.
ChemInform Abstract: Thyroid Hormones — From Crystal Packing to Activity to Reactivity
Authors: Schweizer Ulrich , Steegborn Clemens
Published: November 2015

Review: 13 refs.
ChemInform Abstract: Monomeric and Dimeric Oxido‐peroxido Tungsten(VI) Complexes in Catalytic and Stoichiometric Epoxidation
Authors: Amini Mojtaba , Haghdoost Mohammad Mehdi , Bagherzadeh Mojtaba
Published: November 2015

Review: 124 refs.
ChemInform Abstract: Mining the Chemical Space: Application of 2/4‐Nitrobenzenesulfonamides in Solid‐Phase Synthesis
Authors: Fulopova Veronika , Soural Miroslav
Published: November 2015

Review: 96 refs.
ChemInform Abstract: Recent Advances on Palladium Radical Involved Reactions
Authors: Liu Qing , Dong Xu , Li Jun , Xiao Jian , Dong Yunhui , Liu Hui
Published: November 2015

Review: 153 refs.
ChemInform Abstract: A Chemistry and Material Perspective on Lithium Redox Flow Batteries Towards High‐Density Electrical Energy Storage
Authors: Zhao Yu , Ding Yu , Li Yutao , Peng Lele , Byon Hye Ryung , Goodenough John B. , Yu Guihua
Published: November 2015

Review: 281 refs.
ChemInform Abstract: Effect of Carbon Nanospace on Charge—Discharge Properties of Si and SiOx Nanoparticles‐Embedded Nanoporous Carbons
Authors: Tabuchi Hikaru , Urita Koki , Moriguchi Isamu
Published: November 2015

Review: 23 refs.
ChemInform Abstract: Interplay of Theoretical Calculations and Experiments for a Study of Catalysis by Gold
Authors: Okumura Mitsutaka , Haruta Masatake
Published: November 2015

Review: 52 refs.
Umsetzung von Dimethylether zu Kraftstoffen mit hierachischen Zeolithkatalysatoren
Authors: Zimmermann Michael , Otto Thomas N. , Powietzka Bernhard , Neumann‐Walter Doreen
Published: November 2015

Diese Arbeit hat die Entwicklung von H‐ZSM‐5 Katalysatoren zur Umwandlung von Dimethylether in benzinartige Kohlenwasserstoffe zum Ziel. Zur Verbesserung der Standzeit und Selektivität des Katalysators wurden Mesoporen in die Grundstruktur von H‐ZSM‐5 eingeführt. Zum einen wurden industrielle ZSM‐5 postsynthetisch desiliziert, zum anderen mittels einer Softtemplat‐vermittelten Synthese direkt hergestellt. Die Proben wurden eingehend analytisch untersucht und die gebräuchlichen Auswerteverfahren kritisch betrachtet. Das Oberfläche/Volumen‐Verhältnis der Mesoporen wird als neue Kennzahl vorgestellt. Die Testung der Katalysatoren erfolgte in einer Laboranlage. Die Ergebnisse weisen auf ein komplexes Zusammenwirken von Säurezentren und Mesoporosität hin.
Electrode Build‐Up of Reducible Metal Composites toward Achievable Electrochemical Conversion of Carbon Dioxide
Authors: Lee Seunghwa , Lee Jaeyoung
Published: November 2015

At the beginning of the 21st century, our world is faced with a global‐warming problem due to the continuous increase in carbon dioxide emission, and thus, the development of novel experimental techniques is needed. The electrochemical conversion of carbon dioxide into high‐value organic compounds could be of vital importance to solve this issue. The biggest challenge has always been to develop an electrocatalyst that is chemically active and structurally stable. Herein, previous studies, recent approaches, and current points of view on the electrode structure of metal oxide composites for the advanced electrochemical conversion of carbon dioxide are reviewed.
A case of Langerhans' cell histiocytosis associated with Hodgkin's lymphoma: Fine‐needle aspiration cytologic and histopathological features
Authors: Das Dilip K. , Sheikh Zafar A. , Alansary Taiba A. , Amir Thasneem , Al‐Rabiy Fatma N. , Junaid Thamradeen A.
Published: November 2015

Langerhans cell histiocytosis (LCH) can be associated with a variety of malignant neoplasms, the most common being malignant lymphoma, especially Hodgkin's lymphoma (HL). In this report, we describe the fine needle aspiration (FNA) cytologic features of a case with concurrent LCH and HL in a lymph node. A 20‐year‐old man presented with an enlarged left upper cervical lymph node. FNA smears from the swelling revealed numerous CD1a+ and S‐100+ Langerhans‐type cells (LCs) along with many eosinophils, neutrophils, and lymphocytes; there were also large atypical cells with enlarged nuclei having prominent nucleoli. The cytodiagnosis was LCH and the possibility of association with or trans‐differentiation into a lymphoma was suggested. The histopathological diagnosis of the excised left cervical lymph node was classical HL‐nodular sclerosis type (CHL‐NS) with LCH. The lacunar type Reed‐Sternberg (RS) cells were positive for CD30 and CD15, and the LCs were positive for CD1a and S‐100 protein. PET/CT imaging demonstrated hypermetabolic lymph nodes in neck, abdomen, thorax and pelvis as well as pulmonary nodules and a splenic mass. The patient received 13 courses of chemotherapy and two years later, the enhanced CT revealed regressive course of the disease. Diagn. Cytopathol. 2016;44:128–132. © 2015 Wiley Periodicals, Inc.
Black market products confiscated in Norway 2011–2014 compared to analytical findings in urine samples
Authors: Hullstein Ingunn R. , Malerod‐Fjeld Helle , Dehnes Yvette , Hemmersbach Peter
Published: November 2015

Doping agents are widely and illicitly distributed through the Internet. Analysis of these preparations is useful in order to monitor the availability of prohibited substances on the market, and more importantly to predict which substances are expected to be found in urine samples collected from athletes and to aid clinical and forensic investigations. Based on a close collaboration with the Norwegian police and the Norwegian custom authorities, the Norwegian Doping Control Laboratory has performed analyses of confiscated material suspected of containing doping agents. The analyses were performed using gas chromatography (GC) and liquid chromatography (LC) combined with mass spectrometry (MS). The majority (67%) of the analyzed black market products contained anabolic‐ androgenic steroids (AAS) as expected, whereas peptide‐ and protein‐based doping substances were identified in 28% of the preparations. The Norwegian Doping Control Laboratory receives samples collected from recreational and elite athletes in addition to samples collected in clinical and forensic investigations. The findings in the seized material reflected the findings in the urine samples analyzed regarding the anabolic steroids. Thus, analyzing material seized in Norway may give a good indication of doping agents available on the local market. Copyright © 2015 John Wiley & Sons, Ltd.
Reducing eating disorder symptoms and risk factors using the internet: A meta‐analytic review
Authors: Melioli Tiffany , Bauer Stephanie , Franko Debra L. , Moessner Markus , Ozer Fikret , Chabrol Henri , Rodgers Rachel F.
Published: November 2015

Objective

The purpose of this meta‐analytic review was, first, to evaluate the efficacy of Internet‐based programs in decreasing eating disorder (ED) symptoms, and, second, to identify moderator variables these effects.

Method

Twenty studies were identified and between‐group effect sizes were calculated for ED symptoms and risk factors.

Results

Compared with control conditions, Internet‐based programs successfully decreased body dissatisfaction (d = 0.28, 95% CI [0.15–0.41], p < .001), internalization of the thin ideal (d = 0.36, 95% CI [0.07–0.65], p < .05), shape and weight concern (d = 0.42, 95% CI [0.13–0.71], p < .05), dietary restriction (d = 0.36, 95% CI [0.23–0.49], p < .001), drive for thinness (d = 0.47, 95% CI [0.33–0.60], p < .001), bulimic symptoms (d = 0.31, 95% CI [0.20–0.41], p < .001), purging frequency (d = 0.30, 95% CI [0.02–0.57], p < .05), and negative affect (d = 0.32, 95% CI [0.12–0.52], p < .001). Moderator analyses revealed no impact of data analytic strategy on intervention effects. Similarly, participant risk status was not a moderator for most outcomes.

Discussion

Internet‐based programs are successful in decreasing ED symptoms and risk factors with small to moderate between‐group effect sizes.
A naturalistic examination of social comparisons and disordered eating thoughts, urges, and behaviors in college women
Authors: Fitzsimmons‐Craft Ellen E. , Ciao Anna C. , Accurso Erin C.
Published: November 2015

Objective

We examined the effects of body, eating, and exercise social comparisons on prospective disordered eating thoughts and urges (i.e., restriction thoughts, exercise thoughts, vomiting thoughts, binge eating urges) and behaviors (i.e., restriction attempts, exercising for weight/shape reasons, vomiting, binge eating) among college women using ecological momentary assessment (EMA).

Method

Participants were 232 college women who completed a 2‐week EMA protocol, in which they used their personal electronic devices to answer questions three times per day. Generalized estimating equation models were used to assess body, eating, and exercise comparisons as predictors of disordered eating thoughts, urges, and behaviors at the next report, adjusting for body dissatisfaction, negative affect, and the disordered eating thought/urge/behavior at the prior report, as well as body mass index.

Results

Body comparisons prospectively predicted more intense levels of certain disordered eating thoughts (i.e., thoughts about restriction and exercise). Eating comparisons prospectively predicted an increased likelihood of subsequent engagement in all disordered eating behaviors examined except vomiting. Exercise comparisons prospectively predicted less‐intense thoughts about exercise and an increased likelihood of subsequent vomiting.

Discussion

Social comparisons are associated with later disordered eating thoughts and behaviors in the natural environment and may need to be specifically targeted in eating disorder prevention and intervention efforts. Targeting body comparisons may be helpful in terms of reducing disordered eating thoughts, but eating and exercise comparisons are also important and may need to be addressed in order to decrease engagement in actual disordered eating behaviors. © 2015 Wiley Periodicals, Inc. (Int J Eat Disord 2016; 49:141–150).
Reproductive isolation is mediated by pollen incompatibility in sympatric populations of two Arnebia species
Authors: Wang Lin‐Lin , Zhang Chan , Tian Bin , Sun Xu‐Dong , Guo Wen , Zhang Ting‐Feng , Yang Yong‐Ping , Duan Yuan‐Wen
Published: November 2015

To explore uncertain aspects of the processes that maintain species boundaries, we evaluated contributions of pre‐ and postpollination reproductive isolation mechanisms in sympatric populations of Arnebia guttata and A. szechenyi. For this, we investigated their phylogenetic relationships, traits, microenvironments, pollinator visits, action of natural selection on floral traits, and the outcome of hand pollination between the two species. Phylogenetic analysis indicates that A. szechenyi is a derived species that could be closely related to A. guttata, and both could be diploid species. Arnebia guttata flowers have larger parts than A. szechenyi flowers, but smaller nectar guides. Soil supporting A. szechenyi had higher water contents than soil supporting neighboring populations of A. guttata (in accordance with their geographical distributions). The pollinators shared by the two species preferred A. szechenyi flowers, but interspecific visitations were frequent. We found evidence of conflicting selection pressures on floral tube length, flower diameter and nectar guide size mediated via male fitness, and on flower diameter and floral tube diameter via female fitness. Hand‐pollination experiments indicate complete pollen incompatibility between the two species. Our results suggest that postpollination prezygotic mechanisms are largely responsible for reproductive isolation of sympatric populations of the two Arnebia species.
Palladium‐Catalyzed Directed C(sp3)–H Arylation of Saturated Heterocycles at C‐3 Using a Concise Optimization Approach
Authors: Affron Dominic P. , Bull James A.
Published: November 2015

Saturated heterocycles, such as THFs, pyrrolidines, piperidines and THPs, are essential components of many biologically active compounds. Examples of C–H functionalization on these important ring systems remain scarce, especially at unactivated positions. Here we report the development of conditions for the palladium‐catalyzed stereoselective C(sp3)–H arylation at unactivated 3‐positions of 5‐ and 6‐membered N‐ and O‐heterocycles with aminoquinoline directing groups. Subtle differences in substrate structures altered their reactivity significantly; and different conditions were required to achieve high yields in each case. Successful conditions were developed using a short empirical optimization approach to cover reaction space with a limited set of variables. Excellent cis‐selectivity was achieved in all cases, except for the THP substrate where minor trans‐products were formed through a different palladacyclic intermediate. Here, differences in reactivity and selectivity with other directing groups were examined.
A cold‐adapted leucine dehydrogenase from marine bacterium Alcanivorax dieselolei: Characterization and l‐tert‐leucine production
Authors: Jiang Wei , Sun Dongfang , Lu Jixue , Wang Yali , Wang Shizhen , Zhang Yonghui , Fang Baishan
Published: November 2015

l‐tert‐leucine, an intermediate in the synthesis of several chiral drugs, is mainly produced by bioconversion, in which leucine dehydrogenase (LeuDH) is the key enzyme. A novel leudh was obtained from the marine bacterium Alcanivorax dieselolei B‐5(T) by PCR. The gene encoded a novel cold‐adapted LeuDH that showed low similarity (less than 50%) to any known proteins; the highest similarity (42.6%) was found for LeuDH from Bacillus cereus. The cold‐adapted LeuDH showed optimal activity at 30℃ and pH 6.5, and was identified to be extremely cold‐adaptive, retaining over 90% activity in the temperature range of 0–37℃. The enzyme exhibited better stability in weak alkali environment (pH 6.0–8.5) than Thermoactinomyces intermedius LeuDH. The best substrate concentration was established, and LeuDH conversion rate in catalyzing trimethylpyruvic acid to l‐tert‐leucine was 54.6%. The cold activity and its ability to produce l‐tert‐leucine with excellent performance of enantiomers of choice make it a promising biocatalyst for industrial application under extreme conditions.
Enhancement in Thermoelectric Properties of Cubic Ge2Sb2Te5 Thin Films by Introducing Structural Disorder
Authors: Kumar Manish , Vora‐ud Athorn , Seetawan Tosawat , Han Jeon Geon
Published: November 2015

Thermoelectric performances are usually enhanced by minimizing the thermal conductivity of materials, either by introducing superlattice structures or nanostructuring. Here, a new approach to performance enhancement, based on Seebeck coefficient improvement, is presented for Ge2Sb2Te5 thin films. The electron temperature was controlled by using pulsed direct current (DC) plasma power, and the resulting structural disorder of the cubic crystalline phase enhanced the Seebeck coefficients, as supported by molecular orbital calculations. Our results demonstrate a room‐temperature Seebeck coefficient of 190.8 μV K−1 for 200 nm films deposited on glass.
Bivariate functional data clustering: grouping streams based on a varying coefficient model of the stream water and air temperature relationship
Authors: Li H. , Deng X. , Dolloff C. A. , Smith E. P.
Published: November 2015

A novel clustering method for bivariate functional data is proposed to group streams based on their water–air temperature relationship. A distance measure is developed for bivariate curves by using a time‐varying coefficient model and a weighting scheme. This distance is also adjusted by spatial correlation of streams via the variogram. Therefore, the proposed distance not only measures the difference among the streams with respect to their water–air temperature relationship but also accounts for spatial correlation among the streams. The proposed clustering method is applied to 62 streams in Southeast US that have paired air–water temperature measured over a ten‐month period. The results show that streams in the same cluster reflect common characteristics such as solar radiation, percent forest and elevation. Copyright © 2015 John Wiley & Sons, Ltd.
Distinct patterns of interaction between vegetation and morphodynamics
Authors: Oorschot Mijke van , Kleinhans Maarten , Geerling Gertjan , Middelkoop Hans
Published: November 2015

Dynamic interaction between river morphodynamics and vegetation affects river channel patterns and populations of riparian species. A range of numerical models exists to investigate the interaction between vegetation and morphodynamics. However, many of these models oversimplify either the morphodynamics or the vegetation dynamics, which hampers the development of predictive models for river management. We have developed a model coupling advanced morphodynamics and dynamic vegetation, which is innovative because it includes dynamic ecological processes and progressing vegetation characteristics as opposed to commonly used static vegetation without growth and mortality. Our objective is to understand and quantify the effects of vegetation‐type dependent settling, growth and mortality on the river pattern and morphodynamics of a meandering river. We compared several dynamic vegetation scenarios with different functional trait sets to reference scenarios without vegetation and with static vegetation without growth and mortality. We find distinct differences in morphodynamics and river morphology. The default dynamic vegetation scenario, based on two Salicaceae species, shows an active meandering behaviour, while the static vegetation scenario develops into a static, vegetation‐dominated state. The diverse vegetation patterns in the dynamic scenario reduce lateral migration, increase meander migration rate and create a smoother floodplain compared to the static scenario. Dynamic vegetation results in typical vegetation patterns, vegetation age distribution and river patterns as observed in the field. We show a quantitative interaction between vegetation and morphodynamics, where increasing vegetation cover decreases sediment transport rates. Furthermore, differences in vegetation colonization, density and survival create distinct patterns in river morphology, showing that vegetation properties and dynamics drive the formation of different river morphologies. Our model demonstrates the high sensitivity of channel morphodynamics to various species traits, an understanding which is required for floodplain and stream restoration and more realistic modelling of long‐term river development. Copyright © 2015 John Wiley & Sons, Ltd.
The right temporoparietal junction in attention and social interaction: A transcranial magnetic stimulation study
Authors: Krall Sarah C. , Volz Lukas J. , Oberwelland Eileen , Grefkes Christian , Fink Gereon R. , Konrad Kerstin
Published: November 2015

The right temporoparietal junction (rTPJ) has been associated with the ability to reorient attention to unexpected stimuli and the capacity to understand others' mental states (theory of mind [ToM]/false belief). Using activation likelihood estimation meta‐analysis we previously unraveled that the anterior rTPJ is involved in both, reorienting of attention and ToM, possibly indicating a more general role in attention shifting. Here, we used neuronavigated transcranial magnetic stimulation to directly probe the role of the rTPJ across attentional reorienting and false belief. Task performance in a visual cueing paradigm and false belief cartoon task was investigated after application of continuous theta burst stimulation (cTBS) over anterior rTPJ (versus vertex, for control). We found that attentional reorienting was significantly impaired after rTPJ cTBS compared with control. For the false belief task, error rates in trials demanding a shift in mental state significantly increased. Of note, a significant positive correlation indicated a close relation between the stimulation effect on attentional reorienting and false belief trials. Our findings extend previous neuroimaging evidence by indicating an essential overarching role of the anterior rTPJ for both cognitive functions, reorienting of attention and ToM. Hum Brain Mapp 37:796–807, 2016. © 2015 Wiley Periodicals, Inc.
Cholestasis‐induced adaptive remodeling of interlobular bile ducts
Authors: Vartak Nachiket , Damle‐Vartak Amruta , Richter Beate , Dirsch Olaf , Dahmen Uta , Hammad Seddik , Hengstler Jan G.
Published: November 2015

Cholestasis is a common complication in liver diseases that triggers a proliferative response of the biliary tree. Bile duct ligation (BDL) is a frequently used model of cholestasis in rodents. To determine which changes occur in the three‐dimensional (3D) architecture of the interlobular bile duct during cholestasis, we used 3D confocal imaging, surface reconstructions, and automated image quantification covering a period up to 28 days after BDL. We show a highly reproducible sequence of interlobular duct remodeling, where cholangiocyte proliferation initially causes corrugation of the luminal duct surface, leading to an approximately five‐fold increase in surface area. This is analogous to the function of villi in the intestine or sulci in the brain, where an expansion of area is achieved within a restricted volume. The increase in surface area is further enhanced by duct branching, branch elongation, and loop formation through self‐joining, whereby an initially relatively sparse mesh surrounding the portal vein becomes five‐fold denser through elongation, corrugation, and ramification. The number of connections between the bile duct and the lobular bile canalicular network by the canals of Hering decreases proportionally to the increase in bile duct length, suggesting that no novel connections are established. The diameter of the interlobular bile duct remains constant after BDL, a response that is qualitatively distinct from that of large bile ducts, which tend to enlarge their diameters. Therefore, volume enhancement is only due to net elongation of the ducts. Because curvature and tortuosity of the bile duct are unaltered, this enlargement of the biliary tree is caused by branching and not by convolution. Conclusion: BDL causes adaptive remodeling that aims at optimizing the intraluminal surface area by way of corrugation and branching. (Hepatology 2016;63:951–964)
A Cost System Approach to the Stochastic Directional Technology Distance Function with Undesirable Outputs: The Case of us Banks in 2001–2010
Authors: Malikov Emir , Kumbhakar Subal C. , Tsionas Mike G.
Published: November 2015

This paper offers a methodology to address the endogeneity of inputs in the directional technology distance function (DTDF)‐based formulation of banking technology which explicitly accommodates the presence of undesirable nonperforming loans—an inherent characteristic of the bank's production due to its exposure to credit risk. Specifically, we model nonperforming loans as an undesirable output in the bank's production process. Since the stochastic DTDF describing banking technology is likely to suffer from the endogeneity of inputs, we propose addressing this problem by considering a system consisting of the DTDF and the first‐order conditions from the bank's cost minimization problem. The first‐order conditions also allow us to identify the ‘cost‐optimal’ directional vector for the banking DTDF, thus eliminating the uncertainty associated with an ad hoc choice of the direction. We apply our cost system approach to the data on large US commercial banks for the 2001–2010 period, which we estimate via Bayesian Markov chain Monte Carlo methods subject to theoretical regularity conditions. We document dramatic distortions in banks' efficiency, productivity growth and scale elasticity estimates when the endogeneity of inputs is assumed away and/or the DTDF is fitted in an arbitrary direction. Copyright © 2015 John Wiley & Sons, Ltd.
Sparsity‐weighted outlier FLOODing (OFLOOD) method: Efficient rare event sampling method using sparsity of distribution
Authors: Harada Ryuhei , Nakamura Tomotake , Shigeta Yasuteru
Published: November 2015

As an extension of the Outlier FLOODing (OFLOOD) method [Harada et al., J. Comput. Chem. 2015, 36, 763], the sparsity of the outliers defined by a hierarchical clustering algorithm, FlexDice, was considered to achieve an efficient conformational search as sparsity‐weighted “OFLOOD.” In OFLOOD, FlexDice detects areas of sparse distribution as outliers. The outliers are regarded as candidates that have high potential to promote conformational transitions and are employed as initial structures for conformational resampling by restarting molecular dynamics simulations. When detecting outliers, FlexDice defines a rank in the hierarchy for each outlier, which relates to sparsity in the distribution. In this study, we define a lower rank (first ranked), a medium rank (second ranked), and the highest rank (third ranked) outliers, respectively. For instance, the first‐ranked outliers are located in a given conformational space away from the clusters (highly sparse distribution), whereas those with the third‐ranked outliers are nearby the clusters (a moderately sparse distribution). To achieve the conformational search efficiently, resampling from the outliers with a given rank is performed. As demonstrations, this method was applied to several model systems: Alanine dipeptide, Met‐enkephalin, Trp‐cage, T4 lysozyme, and glutamine binding protein. In each demonstration, the present method successfully reproduced transitions among metastable states. In particular, the first‐ranked OFLOOD highly accelerated the exploration of conformational space by expanding the edges. In contrast, the third‐ranked OFLOOD reproduced local transitions among neighboring metastable states intensively. For quantitatively evaluations of sampled snapshots, free energy calculations were performed with a combination of umbrella samplings, providing rigorous landscapes of the biomolecules. © 2015 Wiley Periodicals, Inc.
Enhancing effect of phenotype mutational robustness on adaptation in Escherichia coli
Authors: Rigato Emanuele , Fusco Giuseppe
Published: November 2015

Theoretical and computational studies predict a positive role for widespread phenotype resistance to genetic mutation, or “phenotype mutational robustness,” in enhancing adaptation to novel environments through the accumulation of cryptic genetic variation. However, this has not been verified through experimental evolution in biological systems at the level of whole organisms. In a short‐term evolution experiment of about 250 generations, we studied the adaptive performances of independently evolving populations of the bacterium Escherichia coli in two new nutritional environments, represented by minimal media with either lactate or glycerol as the sole carbon source. At the start of the experiments, all populations expressed identical phenotype, while differing for the amount of cryptic genetic variation, artificially produced by mutagenesis. We found that cryptic genetic variation can promote significantly faster adaptation to a new nutritional environment in E. coli. The scale of this effect varies between the two environments, and correlates with an estimation of the phenotype robustness of the ability to grow in a given medium, based on survival rate after mutagenesis in the same medium. J. Exp. Zool. (Mol. Dev. Evol.) 326B:31–37, 2016. © 2015 Wiley Periodicals, Inc.
The Use of Chloroformamidine Hydrochloride as a Reagent for the Synthesis of Guanidines from Electron Deficient Aromatic Amines
Authors: Armitage Ian , Fu Mingkun , Hicks Frederick , Kattuboina Adiseshu , Li Jennifer S. N. , McCarron Ashley , Zhu Lei
Published: November 2015

In efforts to optimize a manufacturing process for an internal development compound, a clean, efficient approach to guanidine synthesis using chloroformamidine hydrochloride was identified. To investigate the general utility of this methodology towards electron‐deficient aromatic amines, a set of favorable conditions were developed from a series of screens, and the scope of the reaction was probed. The successful application of this chemistry to a variety of pyridines, anilines, and heterocyclic compounds highlights its use as an improved, alternative guanylation method for this often challenging set of aromatic amines.
Rapid Access to New Angular Phenothiazine and Phenoxazine Dyes
Authors: Onoabedje Efeturi A. , Okoro Uchechukwu C. , Knight David W.
Published: November 2015

The synthesis of some new thiophenyl‐derivatized and furanyl‐derivatized phenothiazine and phenoxazine dyestuffs is described. This was achieved by two methods after the synthesis of 6‐chloro‐5H‐benzo[a]phenothiazin‐5‐one, 6‐chloro‐5H‐benzo[a]phenoxazin‐5‐one, and 6‐chloro‐5H‐naphtho[2,1‐b]pyrido[2,3‐e][1,4]oxazin‐5‐one intermediates via anhydrous base condensation reaction of 2,3‐dichloro‐1,4‐naphthoquinone with 2‐aminothiophenol, 2‐aminophenol, and 2‐aminopyridinol, respectively. The first method involved treatment of tributyl(thien‐2‐yl) or tributyl(furan‐2‐yl) stannane with chlorophenothiazine/chlorophenoxazine under mild basic chemical formula (CsF) and 1,4‐dioxane or toluene solvent at 80°C to supply dazzling yellow solid in high yields. In the second method, the catalytic system was pre‐activated in acetonitrile, followed by addition of coupling partners and K3PO4 to obtain high melting and variety of highly colored products in moderate to high yields. The reaction conditions were compatible with unprotected N–H and carbonyl functional groups. The intense colors of these dyes and their ease of re‐oxidation of Na2S2O4‐reduced derivatives make them suitable as vat dyes. Also, they were found to be good colorants for textiles, papers, paint, ink, soap, polish, candle, and plastic materials.
Effect of radial shock wave therapy for carpal tunnel syndrome: A prospective randomized, double‐blind, placebo‐controlled trial
Authors: Wu Yung‐Tsan , Ke Ming‐Jen , Chou Yu‐Ching , Chang Chih‐Ya , Lin Ching‐Yueh , Li Tsung‐Ying , Shih Feng‐Mei , Chen Liang‐Cheng
Published: November 2015

Three recent studies demonstrated the positive effect of extracorporeal shock wave therapy (ESWT) for treating carpal tunnel syndrome (CTS). However, none have entirely proved the effects of ESWT on CTS because all studies had a small sample size and lacked a placebo‐controlled design. Moreover, radial ESWT (rESWT) has not been used to treat CTS. We conducted a prospective randomized, controlled, double‐blinded study to assess the effect of rESWT for treating CTS. Thirty‐four enrolled patients (40 wrists) were randomized into intervention and control groups (20 wrists in each). Participants in the intervention group underwent three sessions of rESWT with nightly splinting, whereas those in the control group underwent sham rESWT with nightly splinting. The primary outcome was visual analog scale (VAS), whereas the secondary outcomes included the Boston Carpal Tunnel Syndrome Questionnaire (BCTQ), cross‐sectional area (CSA) of the median nerve, sensory nerve conduction velocity of the median nerve, and finger pinch strength. Evaluations were performed before treatment and at 1, 4, 8, and 12 weeks after the third rESWT session. A significantly greater improvement in the VAS, BCTQ scores, and CSA of the median nerve was noted in the intervention group throughout the study as compared to the control group (except for BCTQ severity at week 12 and CSA at weeks 1 and 4) (p < 0.05). This is the first study to assess rESWT in a randomized placebo‐controlled trial and demonstrate that rESWT is a safe and effective method for relieving pain and disability in patients with CTS. © 2015 Orthopaedic Research Society. Published by Wiley Periodicals, Inc. J Orthop Res 34:977–984, 2016.
Meta‐analysis in Stata using gllamm
Authors: Bagos Pantelis G.
Published: November 2015

There are several user‐written programs for performing meta‐analysis in Stata (Stata Statistical Software: College Station, TX: Stata Corp LP). These include metan, metareg, mvmeta, and glst. However, there are several cases for which these programs do not suffice. For instance, there is no software for performing univariate meta‐analysis with correlated estimates, for multilevel or hierarchical meta‐analysis, or for meta‐analysis of longitudinal data. In this work, we show with practical applications that many disparate models, including but not limited to the ones mentioned earlier, can be fitted using gllamm. The software is very versatile and can handle a wide variety of models with applications in a wide range of disciplines. The method presented here takes advantage of these modeling capabilities and makes use of appropriate transformations, based on the Cholesky decomposition of the inverse of the covariance matrix, known as generalized least squares, in order to handle correlated data. The models described earlier can be thought of as special instances of a general linear mixed‐model formulation, but to the author's knowledge, a general exposition in order to incorporate all the available models for meta‐analysis as special cases and the instructions to fit them in Stata has not been presented so far. Source code is available at http:www.compgen.org/tools/gllamm. Copyright © 2015 John Wiley & Sons, Ltd.
The impact of elevated CO2 and temperature on grain quality of rice grown under open‐air field conditions
Authors: Jing Liquan , Wang Juan , Shen Shibo , Wang Yunxia , Zhu Jianguo , Wang Yulong , Yang Lianxin
Published: November 2015

BACKGROUND

Rising atmospheric CO2 is accompanied by global warming. However, interactive effects of elevated CO2 and temperature have not been well studied on grain quality of rice. A japonica cultivar was grown in the field using a free‐air CO2 enrichment facility in combination with a canopy air temperature increase system in 2014. The gas fumigation (200 µmol mol−1 above ambient CO2) and temperature increase (1 °C above ambient air temperature) were performed from tillering until maturity.

RESULTS

Compared with the control (ambient CO2 and air temperature), elevated CO2 increased grain length and width as well as grain chalkiness but decreased protein concentrations. In contrast, the increase in canopy air temperature had less effect on these parameters except for grain chalkiness. The starch pasting properties of rice flour and taste analysis of cooked rice indicated that the palatability of rice was improved by CO2 and/or temperature elevation, with the combination of the two treatments showing the most significant changes compared with ambient rice.

CONCLUSION

It is concluded that projected CO2 in 2050 may have larger effects on rice grain quality than the projected temperature increase. Although deterioration in milling suitability, grain appearance and nutritional quality can be expected, the taste of cooked rice might be better in the future environment. © 2015 Society of Chemical Industry
Physicochemical and sensory characteristics of meat from young Nellore bulls fed different levels of palm kernel cake
Authors: Santana Filho Nivaldo B , Oliveira Ronaldo L , Cruz Cláudia H , Leão André G , Ribeiro Ossival L , Borja Máikal S , Silva Thadeu M , Abreu Claudilene L
Published: November 2015

BACKGROUND

Palm kernel cake is a biodiesel byproduct and an alternative feed additive in cattle production. This study evaluated the effects of palm kernel cake added to bulls' diets on the physicochemical and sensory characteristics of their meat. Thirty‐two young Nellore bulls were used, distributed in a randomized experimental design with four treatments: 0, 7, 14 or 21% (w/w) palm kernel cake in the dry matter of the diet. Hay was used at 35% (w/w) in the diets, which were balanced to provide 150 g kg−1 crude protein and 33 Mcal kg−1 metabolizable energy.

RESULTS

The moisture (P = 0.40), ash (P = 0.70), protein (P = 0.10) and ether extract (P = 0.31) contents of the meat samples were not affected by the inclusion of palm kernel cake. The qualitative characteristics of the meat, including pH (P = 0.69), water‐holding capacity (P = 0.22), cooking loss (P = 0.14), shear force (P = 0.32) and instrumental color indices L* (P = 0.75), a* (P = 0.44) and b* (P = 0.41), were not affected by the substitution of palm kernel cake for soybean meal.

CONCLUSION

Palm kernel cake may be included at up to 21% (w/w) in cattle feed without compromising the physicochemical, sensory and acceptance characteristics of the meat. © 2015 Society of Chemical Industry