bluuebunny/crossref_metadata_2025_split huggingface dataset:
Selective Dynamic Assembly of Disulfide Macrocyclic Helical Foldamers with Remote Communication of Handedness
Authors: Tsiamantas Christos , de Hatten Xavier , Douat Céline , Kauffmann Brice , Maurizot Victor , Ihara Hirotaka , Takafuji Makoto , Metzler‐Nolte Nils , Huc Ivan 
Published: April 2016

AbstractDisulfide bridge formation was investigated in helical aromatic oligoamide foldamers. Depending on the position of thiol‐bearing side chains, exclusive intramolecular or intermolecular disulfide bridging may occur. The two processes are capable of self‐sorting, presumably by dynamic exchange. Quantitative assessment of helix handedness inversion rates showed that bridging stabilizes the folded structures. Intermolecular disulfide bridging serendipitously yielded a well‐defined, C2‐symmetrical, two‐helix bundle‐like macrocyclic structure in which complete control over relative handedness, that is, helix–helix handedness communication, is mediated remotely by the disulfide bridged side chains in the absence of contacts between helices. MM calculations suggest that this phenomenon is specific to a given side chain length and requires disulfide functions
Alkali Metal Carbenoids: A Case of Higher Stability of the Heavier Congeners
Authors: Molitor Sebastian , Gessner Viktoria H. 
Published: April 2016

AbstractAs a result of the increased polarity of the metal–carbon bond when going down the group of the periodic table, the heavier alkali metal organyl compounds are generally more reactive and less stable than their lithium congeners. We now report a reverse trend for alkali metal carbenoids. Simple substitution of lithium by the heavier metals (Na, K) results in a significant stabilization of these usually highly reactive compounds. This allows their isolation and handling at room temperature and the first structure elucidation of sodium and potassium carbenoids. The control of stability was used to control reactivity and selectivity. Hence, the Na and K carbenoids act as selective carbene‐transfer reagents, whereas the more labile lithium systems give rise to product mixtures. Additional fine tuning of the M−C interaction by means of crown ether addition further allows for control of the stability and reactivity.
Base‐Free Conditions for Rhodium‐Catalyzed Asymmetric Arylation To Produce Stereochemically Labile α‐Aryl Ketones
Authors: Dou Xiaowei , Lu Yixin , Hayashi Tamio 
Published: April 2016

AbstractThe asymmetric arylation of 2,2‐dialkyl cyclopent‐4‐ene‐1,3‐diones with aryl boronic acids was found to be efficiently catalyzed by a chiral diene–rhodium μ‐chloro dimer, [{RhCl((R)‐diene*)}2], in the absence of bases in toluene/H2O to give 2,2‐dialkyl 4‐aryl cyclopentane‐1,3‐diones in high yields with high enantioselectivity. Such compounds can not be obtained with high enantiomeric purity under the standard basic conditions used for rhodium‐catalyzed asymmetric arylation because the α‐aryl ketone products undergo racemization under the basic conditions.
Pressure‐Dependent Polymorphism and Band‐Gap Tuning of Methylammonium Lead Iodide Perovskite
Authors: Jiang Shaojie , Fang Yanan , Li Ruipeng , Xiao Hai , Crowley Jason , Wang Chenyu , White Timothy J. , Goddard William A. , Wang Zhongwu , Baikie Tom , Fang Jiye 
Published: April 2016

AbstractWe report the pressure‐induced crystallographic transitions and optical behavior of MAPbI3 (MA=methylammonium) using in situ synchrotron X‐ray diffraction and laser‐excited photoluminescence spectroscopy, supported by density functional theory (DFT) calculations using the hybrid functional B3PW91 with spin‐orbit coupling. The tetragonal polymorph determined at ambient pressure transforms to a ReO3‐type cubic phase at 0.3 GPa. Upon continuous compression to 2.7 GPa this cubic polymorph converts into a putative orthorhombic structure. Beyond 4.7 GPa it separates into crystalline and amorphous fractions. During decompression, this phase‐mixed material undergoes distinct restoration pathways depending on the peak pressure. In situ pressure photoluminescence investigation suggests a reduction in band gap with increasing pressure up to ≈0.3 GPa and then an increase in band gap up to a pressure of 2.7 GPa, in excellent agreement with our DFT calculation prediction.
An In Situ One‐Pot Synthetic Approach towards Multivariate Zirconium MOFs
Authors: Sun Yujia , Sun Lixian , Feng Dawei , Zhou Hong‐Cai 
Published: April 2016

AbstractChemically highly stable MOFs incorporating multiple functionalities are of great interest for applications under harsh environments. Herein, we presented a facile one‐pot synthetic strategy to incorporate multiple functionalities into stable Zr‐MOFs from mixed ligands of different geometry and connectivity. Via our strategy, tetratopic tetrakis(4‐carboxyphenyl)porphyrin (TCPP) ligands were successfully integrated into UiO‐66 while maintaining the crystal structure, morphology, and ultrahigh chemical stability of UiO‐66. The amount of incorporated TCPP is controllable. Through various combinations of BDC derivatives and TCPP, 49 MOFs with multiple functionalities were obtained. Among them, MOFs modified with FeTCPPCl were demonstrated to be catalytically active for the oxidation of ABTS. We anticipate our strategy to provide a facile route to introduce multiple functionalities into stable Zr‐MOFs for a wide variety of potential applications.
Weak and Transient Protein Interactions Determined by Solid‐State NMR
Authors: Dannatt Hugh R. W. , Felletti Michele , Jehle Stefan , Wang Yao , Emsley Lyndon , Dixon Nicholas E. , Lesage Anne , Pintacuda Guido 
Published: April 2016

AbstractDespite their roles in controlling many cellular processes, weak and transient interactions between large structured macromolecules and disordered protein segments cannot currently be characterized at atomic resolution by X‐ray crystallography or solution NMR. Solid‐state NMR does not suffer from the molecular size limitations affecting solution NMR, and it can be applied to molecules in different aggregation states, including non‐crystalline precipitates and sediments. A solid‐state NMR approach based on high magnetic fields, fast magic‐angle sample spinning, and deuteration provides chemical‐shift and relaxation mapping that enabled the characterization of the structure and dynamics of the transient association between two regions in an 80 kDa protein assembly. This led to direct verification of a mechanism of regulation of E. coli DNA metabolism.
3D Assembly of All‐Inorganic Colloidal Nanocrystals into Gels and Aerogels
Authors: Sayevich Vladimir , Cai Bin , Benad Albrecht , Haubold Danny , Sonntag Luisa , Gaponik Nikolai , Lesnyak Vladimir , Eychmüller Alexander 
Published: April 2016

AbstractWe report an efficient approach to assemble a variety of electrostatically stabilized all‐inorganic semiconductor nanocrystals (NCs) by their linking with appropriate ions into multibranched gel networks. These all‐inorganic non‐ordered 3D assemblies benefit from strong interparticle coupling, which facilitates charge transport between the NCs with diverse morphologies, compositions, sizes, and functional capping ligands. Moreover, the resulting dry gels (aerogels) are highly porous monolithic structures, which preserve the quantum confinement of their building blocks. The inorganic semiconductor aerogel made of 4.5 nm CdSe colloidal NCs capped with I− ions and bridged with Cd2+ ions had a large surface area of 146 m2 g−1.
Intra‐ and Intermolecular Nickel‐Catalyzed Reductive Cross‐Electrophile Coupling Reactions of Benzylic Esters with Aryl Halides
Authors: Konev Mikhail O. , Hanna Luke E. , Jarvo Elizabeth R. 
Published: April 2016

AbstractNickel‐catalyzed cross‐electrophile coupling reactions of benzylic esters and aryl halides have been developed. Both inter‐ and intramolecular variants proceed under mild reaction conditions. A range of heterocycles and functional groups are tolerated under the reaction conditions. Additionally, the first example of a stereospecific cross‐electrophile coupling of a secondary benzylic ester is described.
Selective Hydrogen Generation from Formic Acid with Well‐Defined Complexes of Ruthenium and Phosphorus–Nitrogen PN3‐Pincer Ligand
Authors: Pan Yupeng , Pan Cheng‐Ling , Zhang Yufan , Li Huaifeng , Min Shixiong , Guo Xunmun , Zheng Bin , Chen Hailong , Anders Addison , Lai Zhiping , Zheng Junrong , Huang Kuo‐Wei 
Published: April 2016

AbstractAn unsymmetrically protonated PN3‐pincer complex in which ruthenium is coordinated by one nitrogen and two phosphorus atoms was employed for the selective generation of hydrogen from formic acid. Mechanistic studies suggest that the imine arm participates in the formic acid activation/deprotonation step. A long life time of 150 h with a turnover number over 1 million was achieved.
Variable activation in striatal subregions across components of a social influence task in young adult cannabis users
Authors: Gilman Jodi M. , Lee Sang , Kuster John K. , Lee Myung Joo , Kim Byoung Woo , van der Kouwe Andre , Blood Anne J. , Breiter Hans C. 
Published: April 2016

AbstractIntroductionDecades of research have demonstrated the importance of social influence in initiation and maintenance of drug use, but little is known about neural mechanisms underlying social influence in young adults who use recreational drugs.MethodsTo better understand whether the neural and/or behavioral response to social influence differs in young adults using illicit drugs, 20 marijuana‐using young adults (MJ) aged 18–25, and 20 controls (CON) performed a decision‐making task in the context of social influence, while they underwent functional magnetic resonance imaging scans. A priori analyses focused on the nucleus accumbens (NAc), with post hoc analyses in the rest of the striatum. In this task, participants could choose to either follow or go against group influence.ResultsWhen subjects applied social information to response choice selection (independent of following or going against group influence), we observed activation in the middle striatum (caudate), in the MJ group only, that extended ventrally into the NAc. MJ users but not CON showed greater activation in the NAc but not the caudate while making choices congruent with group influence as opposed to choices going against group influence. Activation in the NAc when following social influence was associated with amount of drug use reported. In contrast, during the feedback phase of the task we observed significant NAc activation in both MJ and CON, along with dorsal caudate activation only in MJ participants. This NAc activation did not correlate with drug use.ConclusionsThis study shows that MJ users, but not CON, show differential brain activation across striatal subregions when applying social information to make a decision, following versus going against a group of peers, or receiving positive feedback. The current work suggests that differential neural sensitivity to social influence in regions such as the striatum may contribute to the development and/or maintenance of marijuana use.
Genome‐wide time‐to‐event analysis on smoking progression stages in a family‐based study
Authors: He Liang , Pitkäniemi Janne , Heikkilä Kauko , Chou Yi‐Ling , Madden Pamela A.F. , Korhonen Tellervo , Sarin Antti‐Pekka , Ripatti Samuli , Kaprio Jaakko , Loukola Anu 
Published: April 2016

AbstractBackgroundVarious pivotal stages in smoking behavior can be identified, including initiation, conversion from experimenting to established use, development of tolerance, and cessation. Previous studies have shown high heritability for age of smoking initiation and cessation; however, time‐to‐event genome‐wide association studies aiming to identify underpinning genes that accelerate or delay these transitions are missing to date.MethodsWe investigated which single nucleotide polymorphisms (SNPs) across the whole genome contribute to the hazard ratio of transition between different stages of smoking behavior by performing time‐to‐event analyses within a large Finnish twin family cohort (N = 1962), and further conducted mediation analyses of plausible intermediate traits for significantSNPs.ResultsGenome‐wide significant signals were detected for three of the four transitions: (1) for smoking cessation on 10p14 (P = 4.47e‐08 for rs72779075 flanked byRP11‐575N15andGATA3), (2) for tolerance on 11p13 (P = 1.29e‐08 for rs11031684 inRP1‐65P5.1), mediated by smoking quantity, and on 9q34.12 (P = 3.81e‐08 for rs2304808 inFUBP3), independent of smoking quantity, and (3) for smoking initiation on 19q13.33 (P = 3.37e‐08 for rs73050610 flanked byTRPM4andSLC6A16) in analysis adjusted for first time sensations. Although our topSNPs did not replicate, anotherSNPin theTRPM4‐SLC6A16gene region showed statistically significant association after region‐based multiple testing correction in an independent Australian twin family sample.ConclusionOur results suggest that the functional effect of theTRPM4‐SLC6A16gene region deserves further investigation, and that complex neurotransmitter networks including dopamine and glutamate may play a critical role in smoking initiation. Moreover, comparison of these results implies that genetic contributions to the complex smoking behavioral phenotypes vary among the transitions.
Exercise therapy improves aerobic capacity of inpatients with major depressive disorder
Authors: Kerling Arno , von Bohlen Anne , Kück Momme , Tegtbur Uwe , Grams Lena , Haufe Sven , Gützlaff Elke , Kahl Kai G. 
Published: April 2016

AbstractBackgroundUnipolar depression is one of the most common diseases worldwide and is associated with a higher cardiovascular risk partly due to reduced aerobic capacity.ObjectivesTherefore, the aim of our study was to examine whether a structured aerobic training program can improve aerobic capacity in inpatients with MDD (major depressive disorder).MethodsOverall, 25 patients (13 women, 12 men) diagnosed with MDD were included in the study. Parameters of aerobic capacity, such as maximum performance, maximum oxygen consumption, and VAT (ventilatory anaerobic threshold), were assessed on a bicycle ergometer before and 6 weeks after a training period (three times per week for 45 min on two endurance machines). In addition, a constant load test was carried out at 50% of the maximum performance prior to and after the training period. The performance data were compared with 25 healthy controls matched for sex, age, and body mass index before and after the training period.ResultsCompared to controls, patients with MDD had significantly lower aerobic capacity. After training, there was a significant improvement in their performance data. A significant difference remained only for VAT between patients with MDD and healthy controls.ConclusionWith regard to the coincidence of MDD with cardiovascular and cardiometabolic disorders, a structured supervised exercise program carried out during hospitalization is a useful supplement for patients with MDD.
Development of educational software for undergraduate Chemical Engineering courses
Authors: Dabaghian Zoheir , Movagharnejad Kamyar , Mohammadi Maedeh 
Published: April 2016

ABSTRACTAn instructive software was developed and programmed as an educational aid for design of distillation tower and tray hydraulics using visual basic language. This user‐friendly software can be used as an educational aid for undergraduate Chemical Engineering courses. This tool allows students to study the behavior of the distillation tower and explore the different mass transfer and unit operation features. The students will be able to perform many simulation exercises including the tower overall and interior design and predict the behavior of undesired phenomena such as weeping and flooding. The software environment facilitates students’ learning by providing a step‐by‐step procedure and instructions that are consistent with standard course books. © 2016 Wiley Periodicals, Inc. Comput Appl Eng Educ 24:577–585, 2016; View this article online at wileyonlinelibrary.com/journal/cae; DOI 10.1002/cae.21733
Phase II evaluation of sunitinib in the treatment of recurrent or refractory high‐grade glioma or ependymoma in children: a children's Oncology Group Study ACNS1021
Authors: Wetmore Cynthia , Daryani Vinay M. , Billups Catherine A. , Boyett James M. , Leary Sarah , Tanos Rachel , Goldsmith Kelly C. , Stewart Clinton F. , Blaney Susan M. , Gajjar Amar 
Published: April 2016

AbstractSunitinib malate is a small multi‐targeted tyrosine kinase inhibitor that inhibits vascular endothelial growth factor receptor (VEGFR), platelet‐derived growth factor receptor (PDGFR) and stem cell factor receptor (KIT), which are highly expressed by some high‐grade brain tumors. We conducted a phase II study to estimate the efficacy and further characterize the pharmacokinetics of sunitinib in pediatric patients with recurrent or refractory high‐grade glioma (Stratum A) or ependymoma (Stratum B). This was a prospective, multicenter Phase II trial conducted through the Children's Oncology Group (ClinicalTrials.gov Identifier NCT01462695). Sunitinib, 15 mg/m2, was orally administered once daily for 4 weeks every 6 weeks. The safety and tolerability of sunitinib, an estimate of progression‐free survival (PFS), analyses of sunitinib pharmacokinetics (PK) and pharmacodynamics modulation of plasma VEGF and VEGFR2 were also assessed. Thirty eligible patients (17 patients on Stratum A, 13 patients on Stratum B) were enrolled and 29 patients were evaluable for response. Sunitinib was reasonably well tolerated in children with recurrent ependymoma or high‐grade glioma. Most adverse events were of mild‐to‐moderate severity and manageable with supportive treatment. While there was a statistically significant modulation of plasma VEGFR2 with sunitinib exposure, there were no sustained tumor responses. Both strata were closed at time of planned interim analysis as there was not sufficient efficacy associated with sunitinib in children with recurrent brain tumors. Sunitinib was well tolerated in children and young adults with recurrent high‐grade glioma or ependymoma but had no single agent objective antitumor activity in these patients.
Capecitabine‐related liver lesions: sinusoidal dilatation mimicking liver metastasis
Authors: Groom Katherine , Penna Marta , Arul Dhili , Steward Michael , Leonard Pauline , Wilson Jonathan 
Published: April 2016

Key Clinical MessageA 30‐year‐old lady treated with capecitabine for primary colon adenocarcinoma developed liver lesions suspicious for metastasis. Liver biopsies showed sinusoidal dilatation thought to be secondary to capecitabine. This case highlights the importance of differentiating between benign and malignant liver lesions during cancer surveillance preventing unnecessary liver resections for benign disease.
ChemInform Abstract: SYNTHESIS OF PENTA‐N,O‐ACETYL‐DL‐VALIENAMINE AND ITS RELATED BRANCHED‐CHAIN UNSATURATED AMINOCYCLITOLS AND CYCLITOLS
Authors: OGAWA S. , TOYOKUNI T. , SUAMI T. 
Published: April 2016

AbstractDas Cyclohexentriol‐trisacetat (I) wird bromiert, die dabei gebildeten isomeren Dibromide (II) werden getrennt und daraus die Derivate (III) hergestellt.
ChemInform Abstract: CARBONATES AND POLYCARBONATES FROM UREA AND ALCOHOL
Authors: BALL P. , FUELLMANN H. + , HEITZ W. 
Published: April 2016

AbstractHarnstoff reagiert mit primären und sekundären Alkoholen katalytisch in einer zweistufig verlaufenden Reaktion zu Carbonsäureestern und Ammoniak, das wieder in den Kreisprozeß eingeht.
ChemInform Abstract: FACILE SYNTHESES OF 1,3‐DITHIOL‐2‐ONES AND 1,3‐DITHIOL‐2‐THIONES
Authors: HALEY N. F. , FICHTNER M. W. 
Published: April 2016

AbstractAus den Olefinen (I) entstehen die Allylhalogenide (II), die zu den Thiocarbonaten (III) substituiert werden.
ChemInform Abstract: SIMPLE SYNTHESIS OF 4‐(HETEROARYLMETHYL)PHENOLS AND THEIR ACYLATION
Authors: KUEBEL B. + 
Published: April 2016

AbstractDer Benzaldehyd (I) wird mit Acetessigester (IIa) oder Acetylaceton (IIb) zu den Produkten (III) kondensiert, die zu den Verbindungen (IV) hydriert werden.
ChemInform Abstract: SYNTHESIS OF 1,1′‐DIMERCAPTODIMETHYL SELENIDE AND 1,1′‐BIS(HYDROSELENO)DIMETHYL SELENIDE FROM 1,1′‐DIBROMODIMETHYL SELENIDE
Authors: SCHMIDT M. , HOFFMANN G. G. 
Published: April 2016

AbstractDie Titelselenide (III) werden aus Bis‐ [brommethyl]‐selenid (I) über die mit Na‐disulfid bzw. Na‐diselenid erhaltenen Poly(dithiomethyl)‐ und Poly(diselenomethyl)selenide (II) und deren Spaltung mit Na in flüssigem Ammoniak bei anschließender Hydrolyse dargestellt.
ChemInform Abstract: THE REACTION OF MOLYBDENUM(VI) DIOXO DERIVATIVES WITH HETEROCUMULENES
Authors: CENINI S. , PIZZOTTI M. 
Published: April 2016

AbstractDie Reaktionen der Mo(VI)‐Chelatkomplexe (I) mit (II) liefern die Oxoary1irnido‐ Derivate (III) und S02.
ChemInform Abstract: CHARACTERIZATION OF TWO SYNAPTOSOMAL PEPTIDES IN CALF BRAIN
Authors: LAEHDESMAEKI P. + , AIRAKSINEN K. , VARTIAINEN M. , HALONEN P. 
Published: April 2016

AbstractDie beiden Peptide wurden chromatographisch und durch Gelfiltration gereinigt und mittels der Dansyl‐ Chlorid‐Methode und Spaltung durch Peptidasen als H‐Ala‐Gly‐Glu‐phosphoserin‐ OH und N‐Acetyl‐Asp‐Glu‐taurin‐OH charakterisiert.
ChemInform Abstract: SYNTHETIC OPIUM ALKALOIDS AND DERIVATIVES. A SHORT TOTAL SYNTHESIS OF (.+‐.)‐DIHYDROTHEBAINONE, (.+‐.)‐DIHYDROCODEINONE, AND (.+‐.)‐NORDIHYDROCODEINONE AS AN APPROACH TO A PRACTICAL SYNTHESIS OF MORPHINE, CODEINE, AND CONGENERS
Authors: RICE K. C. 
Published: April 2016

AbstractAus Phenethylamin (I) und der Phenylessigsäure (II) ist über die im Formelschema angegebenen Stufen das Bromierungsprodukt (VIa) erhältlich, das zum Derivat (VIb) ‐verseift und zu (VII) umgelagert werden kann.
ChemInform Abstract: OXIDATION STATE, VALENCY, AND ELECTRON CONFIGURATION OF TIN IN A LINEAR SULFUR‐TIN‐SULFUR ARRAY
Authors: HERBER R. H. , DISALVO F. J. , FRANKEL R. B. 
Published: April 2016

AbstractMessungen des 119Sn‐Mößbauer‐Effekts an der Einschlußverbindung TaS2·Sn bei 4.2 K und äußeren magnetischen Feldstärken von 0,50 und 80 kOe bestätigen frühere Beobachtungen (magnetische und ESCA‐Daten), daß keine signifikante Dichte ungepaarter Elektronen am Metallatom lokalisiert ist.
ChemInform Abstract: PHOTOELECTROCHEMICAL COMPATIBILITY OF N‐TUNGSTEN SELENIDE AND N‐MOLYBDENUM SELENIDE WITH VARIOUS REDOX SYSTEMS
Authors: MENEZES S. , DISALVO F. J. , MILLER B. 
Published: April 2016

AbstractUntersuchungen mit Hilfe hydrodynamisch modulierter rotierender Scheiben‐ und Ring‐Scheiben‐Elektroden gestatten die Auftrennung der photoelektrochemischen Reaktionen an n‐WSeZ und n‐MoSe2 in verschiedenen Redox‐Elektrolyten in Komponenten für Löchertransfer und Photokorrosion.
ChemInform Abstract: RAMAN SPECTROSCOPIC STUDIES OF AQUEOUS URANYL NITRATE AND PERCHLORATE SYSTEMS
Authors: BROOKER M. H. , HUANG C.‐H. , SYLWESTROWICZ J. 
Published: April 2016

AbstractRaman‐Spektren der Schmelzen der hydratisierten Salze (I) und (II) sowie ihrer wäßrigen Lösungen zeigen, daß (I) in wäßriger Lösung oberhalb 1.5 Mden schwachen Komplex UOZNO; bildet (B1 = 0.15 bei einer Ionenstärke von 6.25), während beim Perchlorat (II) keine Ionenpaarbildung auftritt.
ChemInform Abstract: PREPARATION AND RAMAN SPECTRA OF CALCIUM AND MAGNESIUM NITRITE MONOHYDRATES AND CALCIUM NITRITE
Authors: BROOKER M. H. , DEYOUNG B. S. 
Published: April 2016

AbstractH2O, Ca(NO2)2 and Mg(NO2)2°C H2O. ‐ Die Titelsalze werden aus wäßriger Lösung nach Reaktion A und Bdargestellt und Raman‐spektroskopisch bei 77 Kcharakterisiert.
ChemInform Abstract: BORON ANALOGS OF THE α‐AMINO ACIDS. SYNTHESIS, X‐RAY CRYSTAL STRUCTURE, AND BIOLOGICAL ACTIVITY OF AMMONIA‐CARBOXYBORANE, THE BORON ANALOG OF GLYCINE
Authors: SPIELVOGEL B. F. , DAS M. K. , MCPHAIL A. T. , ONAN K. D. , HALL I. H. 
Published: April 2016

AbstractDurch Aminaustausch in der entsprechenden Trimethylaminverbindung mit fl.