bluuebunny/crossref_metadata_2025_split huggingface dataset:
Normenbezogene Schadenserwartung von Stahlbetonrahmensystemen in Schwach‐ und Starkbebengebieten
Authors: Abrahamczyk Lars , Schwarz Jochen , Leipold Mathias 
Published: February 2016

AbstractAuf der Grundlage empirisch abgeleiteter Schadensgrade wird das Gebäudeverhalten von bestandsrepräsentativen Stahlbetonrahmentragwerken in gering‐, mittel‐ und hochseismischen Gebieten beurteilt und der Einfluss der untergrundspezifischen Bodenbewegung auf den prognostizierten Schadensgrad bestimmt. Die Schadensbeschreibung erfolgt elementbezogen und wird aus dem Verformungszustand (Damage State) des Querschnitts abgeleitet. In Anlehnung an die EMS‐98 werden diese Schäden als lokale Schadensgrade (LDG) definiert und nach der Konsequenz für die Tragstruktur in primäre (strukturelle) und sekundäre (nichtstrukturelle) unterschieden.Unter Vorgabe der Schadensgrade wird eine Vorgehensweise entwickelt, um Kennfunktionen mit direktem Bezug zu Entscheidungen über die Notwendigkeit einer Bauwerksertüchtigung abzuleiten. Anhand der durchgeführten Untersuchungen können normungsrelevante Beschleunigungsniveaus und zugehörige Schadensgrade bzw. Entwurfskonzepte überprüft werden. In den gering seismischen Gebieten Deutschlands ist am Maßstab der aktuellen Einwirkungsvorgaben und auch im Falle stärkerer Einwirkungen ein Versagen von Stahlbetonrahmensystemen auszuschließen und das Auftreten eines kritischen, ertüchtigungsrelevanten Schadensgrads nicht zu erwarten. Diese werden jedoch erreicht, wenn für die Standorte in deutschen Erdbebengebieten intensitätsbezogene Spitzenbodenbeschleunigungen aus aktuellen Korrelationen bzw. Ergebnisse von europäischen Forschungsprojekten (z. B. SHARE) zugrunde gelegt werden.Code based damage prognosis for R. C. frame structures in low and high seismicity regionClearly defined and empirically derived damage grades are applied to assess the building behavior of building stock representative R. C. frame structures under low, medium and high seismic action. Additionally the influence of the specific subsoil related ground acceleration on the damage prognosis is determined. The damage description is related to the individual structural element and will be derived from the damage state of the cross section based on the material behavior. With respect to the EMS‐98 different local damage grades are defined and differentiated according to the relevance for the primary (structural) and secondary (non‐structural) structural system. Thus, a method on the basis of clearly defined damage grades will be presented for the derivation of fragility functions with a direct link to decisions upon the necessity for strengthening measures. On the basis of the presented investigations code relevant results can be derived. There are no failure as well as no critical damage grade (relevant for strengthening) expected for R. C. frame structures in the low seismicity region Germany under the consideration of current code consistent seismic action. However, such damage grades might be expectable in case of intensity based peak ground accelerations according to current correlations as well as research projects (e. g. SHARE) for German earthquake regions.
Macrocyclization and labeling of helix–loop–helix peptide with intramolecular bis‐thioether linkage
Authors: Nishihara Toshio , Kitada Hidekazu , Fujiwara Daisuke , Fujii Ikuo 
Published: February 2016

ABSTRACTConformationally constrained peptides have been developed as an inhibitor for protein–protein interactions (PPIs), and we have de novo designed cyclized helix–loop–helix (cHLH) peptide with a disulfide bond consisting of 40 amino acids to generate molecular‐targeting peptides. However, synthesis of long peptides has sometimes resulted in low yield according to the respective amino acid sequences. Here we developed a method for efficient synthesis and labeling for cHLH peptides. First, we synthesized two peptide fragments and connected them by the copper‐mediated alkyne and azide cycloaddition (CuAAC) reaction. Cyclization was performed by bis‐thioether linkage using 1,3‐dibromomethyl‐5‐propargyloxybenzene, and subsequently, the cHLH peptide was labeled with an azide‐labeled probe. Finally, we designed and synthesized a peptide inhibitor for the p53‐HDM2 interaction using a structure‐guided design and successfully labeled it with a fluorescent probe or a functional peptide, respectively, by click chemistry. This macrocyclization and labeling method for cHLH peptide would facilitate the discovery of de novo bioactive ligands and therapeutic leads. © 2016 Wiley Periodicals, Inc. Biopolymers (Pept Sci) 106: 415–421, 2016.
A hybrid approach identifies metabolic signatures of high‐producers for chinese hamster ovary clone selection and process optimization
Authors: Popp Oliver , Müller Dirk , Didzus Katharina , Paul Wolfgang , Lipsmeier Florian , Kirchner Florian , Niklas Jens , Mauch Klaus , Beaucamp Nicola 
Published: February 2016

ABSTRACTIn‐depth characterization of high‐producer cell lines and bioprocesses is vital to ensure robust and consistent production of recombinant therapeutic proteins in high quantity and quality for clinical applications. This requires applying appropriate methods during bioprocess development to enable meaningful characterization of CHO clones and processes. Here, we present a novel hybrid approach for supporting comprehensive characterization of metabolic clone performance. The approach combines metabolite profiling with multivariate data analysis and fluxomics to enable a data‐driven mechanistic analysis of key metabolic traits associated with desired cell phenotypes. We applied the methodology to quantify and compare metabolic performance in a set of 10 recombinant CHO‐K1 producer clones and a host cell line. The comprehensive characterization enabled us to derive an extended set of clone performance criteria that not only captured growth and product formation, but also incorporated information on intracellular clone physiology and on metabolic changes during the process. These criteria served to establish a quantitative clone ranking and allowed us to identify metabolic differences between high‐producing CHO‐K1 clones yielding comparably high product titers. Through multivariate data analysis of the combined metabolite and flux data we uncovered common metabolic traits characteristic of high‐producer clones in the screening setup. This included high intracellular rates of glutamine synthesis, low cysteine uptake, reduced excretion of aspartate and glutamate, and low intracellular degradation rates of branched‐chain amino acids and of histidine. Finally, the above approach was integrated into a workflow that enables standardized high‐content selection of CHO producer clones in a high‐throughput fashion. In conclusion, the combination of quantitative metabolite profiling, multivariate data analysis, and mechanistic network model simulations can identify metabolic traits characteristic of high‐performance clones and enables informed decisions on which clones provide a good match for a particular process platform. The proposed approach also provides a mechanistic link between observed clone phenotype, process setup, and feeding regimes, and thereby offers concrete starting points for subsequent process optimization. Biotechnol. Bioeng. 2016;113: 2005–2019. © 2016 Wiley Periodicals, Inc.
α‐Hydroxylation of Carboxylic Acids Catalyzed by Taurine Dioxygenase
Authors: Wetzl Dennis , Bolsinger Jennifer , Nestl Bettina M. , Hauer Bernhard 
Published: February 2016

AbstractEnzymes still have a limited application scope in synthetic organic chemistry. To expand this, different strategies exist that range from the de novo design of enzymes to the exploitation of the catalytic capabilities of known enzymes by converting different substrates; denoted as substrate promiscuity. We harnessed the synthetic potential offered by the taurine dioxygenase (TauD) from Escherichia coli (E. coli) by studying its promiscuous catalytic properties in the hydroxylation of carboxylic acid substrates. TauD showed high selectivities in the hydroxylation reaction but reduced levels of activity (26 % conversion, >96 % ee). We enhanced the enzyme substrate scope and improved the conversions for the tested substrates by introducing a point mutation at position 206 (F206Y). The conversions of the improved catalyst increased by at least 140 % compared to that of the wild‐type enzyme. The number of carboxylic acids that accepted by the enzyme variant doubled from four to eight carboxylic acids.
Design and Control of Extractive Distillation Based on an Effective Relative Gain Array
Authors: Wang Honghai , Li Yue , Su Weiyi , Zhang Yuzhen , Guo Jiajia , Li Chunli 
Published: February 2016

AbstractThe extractive distillation process for the separation of an ethyl formate‐ethanol‐water mixture with ethylene glycol as the extractive solvent was investigated. High‐purity products could be gathered in the top of the column, and ethylene glycol could be completely recycled in the bottom of the recovery column. Two kinds of control strategy were designed and tested in the extractive distillation system to handle strong disturbances in feed flow rate and feed composition. A comparison of the results indicated that the control strategy based on a proper variable pairing defined according to the effective relative gain array could more efficiently minimize the dynamic disturbances.
Unravelling the Mechanism of Electrochemical Degradation of PANI in Supercapacitors: Achieving a Feasible Solution
Authors: Sekar Pandiaraj , Anothumakkool Bihag , Vijayakumar Vidyanand , Lohgaonkar Apurva , Kurungot Sreekumar 
Published: February 2016

AbstractHerein, we have investigated the mode of electrochemical degradation of polyaniline (PANI) when it was utilized as electrodes for supercapacitors. The PANI‐based electrodes in supercapacitor devices were biased at a constant potential of 0.80 V, and the performance characteristics and property changes were carefully investigated as a function of the difference in the polarity of the electrodes. Subsequent to this, the analysis of the individual electrodes [positive (POS‐PANI) and negative (NEG‐PANI)] shows that the degradation mainly occurs at POS‐PANI in comparison to NEG‐PANI. Moreover, NEG‐PANI retains a maximum capacitance of 510 F g−1, with a low charge‐transfer resistance (RCT) of 1.84 Ω and similar redox behavior in comparison to the fresh PANI (f‐PANI). In contrast to this case, POS‐PANI shows significant loss in capacitance (250 F g−1) and increase in RCT (3.5 Ω) with a disappearance of the characteristic redox behavior normally displayed by PANI. Furthermore, the drastic drop in the electrical conductivity for POS‐PANI (1.2 S cm−1) compared to f‐PANI (3.4 S cm−1 and NEG‐PANI (2.4 S cm−1) shows that the degradation of PANI occurs mainly at the anode (POS‐PANI) and, thus, contributes to reduce the net performance of the cell. Hence, to ensure this potential‐induced degradation of PANI in supercapacitors and also to promote the system stability, we made an asymmetric supercapacitor (ASC) by keeping PANI as a negative electrode and using carbon as a positive electrode. The derived system is found to display stable capacitance behavior before and after the potential application, in contrast to the ASC fabricated by using conventional method, that is, by keeping PANI as the positive electrode and carbon as the negative electrode. Furthermore, the durability analysis of the prototype solid‐state ASC shows an enhanced durability of 27 000 cycles with excellent columbic efficiency. The findings of the present study will be helpful in the development of highly stable supercapacitors and other similar energy systems when a material like PANI should be utilized for the electrode applications.
A Pronounced Halogen Effect on the Organogelation Properties of Peripherally Halogen Functionalized Poly(benzyl ether) Dendrons
Authors: Feng Yu , Chen Hui , Liu Zhi‐Xiong , He Yan‐Mei , Fan Qing‐Hua 
Published: February 2016

AbstractAn interesting halogen‐substituent effect on the organogelation properties of poly(benzyl ether) dendrons is reported. A new class of poly(benzyl ether) dendrons with halo substituents decorating their periphery was synthesized and fully characterized. A systematic study on the gelation abilities, thermotropic behaviors, aggregated microstructures, and mechanical properties of self‐assembled organogels was performed to elucidate the halogen‐substituent effects on their organogelation propensity. It was found that the exact halogen substitutions on the periphery of dendrons exert a profound effect on the organogelation propensity, and dendrons Gn‐Cl (n=2, 3) and G2‐I proved to be highly efficient organogelators. The cooperation of multiple π–π, dispersive halogen, CH–π, and weak C−H⋅⋅⋅X hydrogen‐bonding interactions were found to be the key contributor to forming the self‐assembled gels. Dendritic organogels formed from Gn‐Cl (n=2, 3) in 1,2‐dichloroethane exhibited thixotropic‐responsive properties, and such thixotropic organogels are promising materials for future research and applications.
A Resettable Keypad Lock with Visible Readout Based on Closed Bipolar Electrochemistry and Electrochromic Poly(3‐methylthiophene) Films
Authors: Wang Lei , Lian Wenjing , Liu Hongyun 
Published: February 2016

AbstractA closed bipolar electrode (BPE) system was developed with electrochromic poly(3‐methylthiophene) (PMT) films electropolymerized on the ITO/rGO electrode as one pole of BPE in the reporting reservoir and the bare ITO electrode as another pole of BPE in the analyte reservoir, in which rGO represents reduced graphene oxide. Under a suitable driving voltage (Vtot), the electrochemical reduction/oxidation of electroactive probes, such as H2O2/glutathione (Glu), in the analyte reservoir could induce the reversible color change of PMT films in the reporting reservoir between blue and red. Based on this, a keypad lock with H2O2, Glu, and Vtot=−3.0 V as the three inputs and the color change of PMT films as the visible output was established. This system was easily operated and did not need to synthesize the complex compounds or DNA molecules. The security system was easy to reset and could be used repeatedly.
Stereoselective Halogenation of Integral Unsaturated C‐C Bonds in Chemically and Mechanically Robust Zr and Hf MOFs
Authors: Marshall Ross J. , Griffin Sarah L. , Wilson Claire , Forgan Ross S. 
Published: February 2016

AbstractMetal–organic frameworks (MOFs) containing ZrIV‐based secondary building units (SBUs), as in the UiO‐66 series, are receiving widespread research interest due to their enhanced chemical and mechanical stabilities. We report the synthesis and extensive characterisation, as both bulk microcrystalline and single crystal forms, of extended UiO‐66 (Zr and Hf) series MOFs containing integral unsaturated alkene, alkyne and butadiyne units, which serve as reactive sites for postsynthetic modification (PSM) by halogenation. The water stability of a Zr–stilbene MOF allows the dual insertion of both −OH and −Br groups in a single, aqueous bromohydrination step. Quantitative bromination of alkyne‐ and butadiyne‐containing MOFs is demonstrated to be stereoselective, as a consequence of the linker geometry when bound in the MOFs, while the inherent change in hybridisation and geometry of integral linker atoms is facilitated by the high mechanical stabilities of the MOFs, allowing bromination to be characterised in a single‐crystal to single‐crystal (SCSC) manner. The facile addition of bromine across the unsaturated C−C bonds in the MOFs in solution is extended to irreversible iodine sequestration in the vapour phase. A large‐pore interpenetrated Zr MOF demonstrates an I2 storage capacity of 279 % w/w, through a combination of chemisorption and physisorption, which is comparable to the highest reported capacities of benchmark iodine storage materials for radioactive I2 sequestration. We expect this facile PSM process to not only allow trapping of toxic vapours, but also modulate the mechanical properties of the MOFs.
Origin of the Regioselective Fatty‐Acid Hydroxylation versus Decarboxylation by a Cytochrome P450 Peroxygenase: What Drives the Reaction to Biofuel Production?
Authors: Faponle Abayomi S. , Quesne Matthew G. , de Visser Sam P. 
Published: February 2016

AbstractThe cytochromes P450 are heme‐based mono‐oxygenases or peroxygenases involved in vital reaction processes for human health. A recently described P450 per‐oxygenase, OleTJE, converts long‐chain fatty acids to terminal olefins and as such may have biotechnological relevance in biodiesel production. However, the reaction produces significant amounts of α‐ and β‐hydroxylation by‐products, and their origin are poorly understood. Herein, we elucidate through a QM/MM study on the bifurcation pathways how the three possible products are generated and show how the enzyme can be further engineered for optimum desaturase activity. The studies showed that the polarity and the solvent accessibility of the substrate in the binding pocket destabilize the OH‐rebound pathways and kinetically enable a thermodynamically otherwise unfavorable decarboxylation reaction. The origins of the bifurcation pathways are analyzed with valence‐bond models that highlight the differences in reaction mechanism.
Stereoselective Csp3–Csp2 Bond‐Forming Reactions by Transition‐Metal‐Free Reductive Coupling of Cyclic Tosylhydrazones with Boronic Acids
Authors: Plaza Manuel , Pérez‐Aguilar M. Carmen , Valdés Carlos 
Published: February 2016

AbstractThe reactions between alkenylboronic acids and tosylhydrazones derived from substituted cyclohexanones lead to the construction of disubstituted cyclohexanes with total regio‐ and stereoselectivity. In these transition‐metal‐free processes, a Csp3−Csp2 and Csp3−H bond are formed on the same carbon atom. The stereoselective reaction is general for 2‐, 3‐, and 4‐substituted cyclohexanone tosylhydrazones, as well as for 2‐substituted cyclopentanones. However, no stereoselectivity is observed for acyclic derivatives. DFT computational modeling suggests that the stereoselectivity of the reaction is determined by the approach of the boronic acid to the diazocyclohexane on its most stable chair conformation through an equatorial trajectory.
ChemInform Abstract: WECHSELWIRKUNGEN VON ALKALIMETALLNITRATEN IN WASSER‐AETHYLENGLYKOL‐MISCHUNGEN, KONDUKTOMETRISCHE MESSUNGEN BEI 25 GRAD
Authors: SESTA B. , BERARDELLI M. L. 
Published: February 2016

AbstractDie Leitfähigkeit der Nitrate von Li, Na und K in Gemischen von Wasser und Äthylenglykol wurde bei 25°C gemessen.
ChemInform Abstract: EINFLUSS DER TEMPERATUR UND STROMDICHTE AUF DIE KAPAZITAET VON BLEISAEURE‐BATTERIEPLATTEN
Authors: BAIKIE P. E. , GILLIBRAND M. I. , PETERS K. 
Published: February 2016

AbstractDie Entladungscharakteristiken der positiven und negativen Platten des Bleiakkumulators wurden bei verschiedenen Stromdichten und Temperaturen bestimmt.
ChemInform Abstract: ANSPRECHEN EINER GLASELEKTRODE AUF DIE AKTIVITAET VON LITHIUMIONEN IN PROPYLENCARBONATLOESUNGEN
Authors: MUKHERJEE L. M. , BODEN D. P. 
Published: February 2016

AbstractDie Gleichgewichtscharakteristiken einer kationensensitiven Glaselektrode von Beckman wurde bei 25°C in Lösungen von reinen Li(I)‐Salzen in Propylencarbonat wie auch unter Zugabe bestimmter einwertiger Kationen, welche Konkurrenzeffekte bewirken können, untersucht.
ChemInform Abstract: DOPPELSCHICHT UND GLEICHSTROMPOLARISATION VON AGBR
Authors: WEISS K. 
Published: February 2016

AbstractMessungen des Polarisationsstroms, des Ladungsumsatzes bei der Gleichstrompolarisation und örtlicher Differenzen des elektrochemischen Potentials der Elektronen in der Zelle Ag/AgBr/Pt wurden bei 377 und 391°C ausgeführt.
ChemInform Abstract: HOCHTEMPERATURKORROSION VON EISEN IN WAESSRIGER LOESUNG , ENTWICKLUNG VON THEORIEN DES GLEICHGEWICHTSTRANSPORTS DER LOESUNGSPHASE DURCH EIN POROESES OXID
Authors: BIGNOLD G. J. , GARNSEY R. , MANN G. M. W. 
Published: February 2016

AbstractKorrosion von Eisen in wäßrigen Natriumhydroxidlösungen hoher Temperatur führt im allgemeinen zum Wachstum eines porösen zweischichtigen Oxids.
ChemInform Abstract: ANODENVERHALTEN VON NICKEL IM GESCHMOLZENEN NATRIUMNITRIT‐KALIUMNITRIT‐EUTEKTIKUM
Authors: ARVIA A. J. , PIATTI R. C. V. , PODESTA J. J. 
Published: February 2016

AbstractDie Passivierung von Nickel in geschmolzenen Alkalimetallnitriten und die elektrochemische Auflösung von passivem Nickel wurden bei Temperaturen zwischen 234 und 306°C untersucht.
ChemInform Abstract: FILMAUFLOESUNG WAEHREND DER VERFAERBUNG VON KUPFER IN WAESSRIGEN LOESUNGEN VON THIOHARNSTOFF UND ALKALISCHEM POLYSULFID
Authors: WOLYNEC S. , GABE D. R. 
Published: February 2016

AbstractDie Verfärbung von Kupfer in wäßrigen Lösungen von Thioharnstoff und alkalischem Kaliumpolysulfid wurde durch coulometrische Reduktion, Gewichtsver‐ änderungsbestimmungen und Rasterelektronenmikroskopie bestimmt.
ChemInform Abstract: UNTERSUCHUNGEN VON IONENRK. MITTELS PHOTOIONISATIONS‐MASSENSPEKTROMETRIE 5. MITT. RK. VON N2(+) UND CO(+)
Authors: WARNECK PETER 
Published: February 2016

AbstractDie Reaktionen der Ionen von molekularem Stickstoff und Kohlenmonoxid mit H2, CO2, CH4, N2O, S02, O2, C2H2, COS und NO wurden hinsichtlich ihrer 16 Geschwindigkeitskonstanten und der rrouuktvcrtcuuugcu UIILUI buUuL uuu 1111 .′ einander verglichen.
ChemInform Abstract: OX. VON NB‐5,5‐ATOM‐PROZENT MO‐EINKRISTALLEN UND ‐POLYKRISTALLEN IM TEMPERATURBEREICH 530 GRAD‐1100 GRAD
Authors: TAYLOR A. , STRINGER J. 
Published: February 2016

AbstractEinkristalle und Polykristalle einer Nb‐5,5% Mo‐Legierung wurden in trockenem Sauerstoff im Temperaturbereich 530‐1100°C oxidiert.
ChemInform Abstract: MASSENSPEKTROMETRIE MIT CHEMISCHER IONISATION 18. MITT. EINFLUSS DER SAEUREIDENTITAET AUF DIE ZERS.‐GESCHWINDIGKEIT PROTONIERTER TERT. ALKYLESTER
Authors: LAURIE W. A. , FIELD F. H. 
Published: February 2016

AbstractDurch chemische Ionisation mit Isobutan bzw. Isopentan als reagierendem Gas wurde die Kinetik der Zersetzung des tert.‐Butyl‐ sowie tert.‐Amylesters von Propion‐ bzw. Buttersäure untersucht.
ChemInform Abstract: BIS‐(TRIFLUORMETHYL)‐PEROXID 1. MITT. THERMODYNAMIK DES GLEICHGEWICHTS MIT CARBONYLFLUORID UND TRIFLUORMETHYLHYPOFLUORIT
Authors: LEVY JOSEPH B. , KENNEDY R. CRAIG 
Published: February 2016

AbstractDie Gleichgewichtskonstanten der Reaktion Abei 495‐6 l0°Kwurden gemessen.
ChemInform Abstract: ADSORPTION VON SCHWEFEL UND EINFACHEN ORGANISCHEN SUBSTANZEN AN PLATINELEKTRODEN
Authors: LOUCKA T. 
Published: February 2016

AbstractDie Bindungen zwischen Methanol‐ und Ameisensäureadsorbaten und der Pt‐ Elektrodenoberfläche sind in Gegenwart von adsorbiertem Schwefel schwächer als bei dessen Abwesenheit.
ChemInform Abstract: KINETISCHE UNTERSUCHUNG DER PYROLYSE VON FORMALDEHYD
Authors: CHEN C. J. , MCKENNEY D. J. 
Published: February 2016

AbstractDie thermische Zersetzung von reinem Formaldehyd bei Temperaturen um 500°C und Drücken von ca. 50‐160 Torr wird kinetisch untersucht.
ChemInform Abstract: PHOTOCHEMISCHES VERH. AROMATISCHER SULFONSAEUREN IN WAESSRIGEN UND WAESSRIG‐ORGANISCHEN MEDIEN 4. MITT. MECHANISMUS DER PHOTOSUBSTITUTION VON SULFOGRUPPEN IN ANTHRACHINONSULFONSAEUREN
Authors: STUDZINSKII O. P. , RTISHCHEV N. I. , EL'TSOV A. V. , DEVEKKI A. V. 
Published: February 2016

AbstractDie Kinetik der unter Bildung des Chloranthrachinons (I) verlaufenden Photosubstitution der Sulfonsäure (II) in wäßriger NaCl‐Lösung sowie die der unter Bildung des Aminoanthrachinons (III) verlaufenden Photoreaktion des Sulfoanthrachinons (II) mit wäßrigem Ammoniak wird bei 20‐95°C untersucht.
ChemInform Abstract: PHOTOCHEMIE BETA,GAMMA‐UNGESAETTIGTER KETONE 5. MITT. PHOTOISOMERISIERUNG VON BICYCLO(3,2,0)HEPTEN‐(6)‐ON‐(2) UND SEINER DERIVATE AUS EINEM TRIPLETTZUSTAND
Authors: IPAKTSCHI JUNES 
Published: February 2016

AbstractBei Belichtung der Bicycloheptenone (I) in Aceton mit einem Hg‐Niederdruckbrenner entstehen die Produkte (II).