bluuebunny/crossref_metadata_2025_split huggingface dataset:
Sekundärstrukturbildung als Triebkraft für die Selbstorganisation reaktiver Polypept(o)ide: Steuerung von Größe, Form und Funktion kernvernetzter Nanostrukturen
Authors: Klinker Kristina , Schäfer Olga , Huesmann David , Bauer Tobias , Capelôa Leon , Braun Lydia , Stergiou Natascha , Schinnerer Meike , Dirisala Anjaneyulu , Miyata Kanjiro , Osada Kensuke , Cabral Horacio , Kataoka Kazunori , Barz Matthias 
Published: May 2017

AbstractPräzise Kontrolle über Morphologie und Funktion polymerer Nanostrukturen im Rahmen der Selbstorganisation stellt nach wie vor eine Herausforderung im Feld der Material‐ und biomedizinischen Wissenschaften dar, insbesondere wenn unabhängige Kontrolle über einzelne Partikeleigenschaften erwünscht ist. Hier wird über Sekundärstruktur‐gesteuerte Selbstorganisation von Nanostrukturen basierend auf amphiphilen Blockcopolypept(o)iden berichtet und eine Strategie zur bio‐reversiblen Einstellung der Kernpolarität und –funktion unabhängig von der Partikelpräparation vorgestellt. Der Peptiden eigene Prozess der Sekundärstrukturbildung erlaubt so die Herstellung sphärischer und wurmartiger kernvernetzter Architekturen ausgehend von ein und demselben Blockcopolymer und bietet einen simplen, aber dennoch leistungsfähigen Ansatz zur Herstellung vielseitiger peptidbasierter Nanopartikel.
Photocatalytic Nanosheet Lithography: Photolithography based on Organically Modified Photoactive 2D Nanosheets
Authors: Ganter Pirmin , Lotsch Bettina V. 
Published: May 2017

AbstractHarvesting the properties of nanosheets is not only crucial from a fundamental perspective, but also for the development of novel functional devices based on 2D nanosheets. Herein, we demonstrate the processing of organically modified TBAxH1−xCa2Nb3O10 nanosheets into photonic thin films and study their colorimetric sensing properties in response to various aqueous and organic solvent vapors. Building on the enhanced solvent accessibility of TBA‐containing nanosheets and their photocatalytic activity under UV irradiation, we develop a new concept for photocatalytic lithography using TBAxH1−xCa2Nb3O10 nanosheets as a negative photoresist to obtain high‐fidelity micron‐scale patterns of robust inorganic nanosheets. Photocatalytic nanosheet lithography (PNL) therefore adds a new resist‐free, resource efficient direct patterning technique to the toolbox of photolithography.
A High‐Valent Non‐Heme μ‐Oxo Manganese(IV) Dimer Generated from a Thiolate‐Bound Manganese(II) Complex and Dioxygen
Authors: Brazzolotto Deborah , Cantú Reinhard Fabián G. , Smith‐Jones Julian , Retegan Marius , Amidani Lucia , Faponle Abayomi S. , Ray Kallol , Philouze Christian , de Visser Sam P. , Gennari Marcello , Duboc Carole 
Published: May 2017

AbstractThis study deals with the unprecedented reactivity of dinuclear non‐heme MnII–thiolate complexes with O2, which dependent on the protonation state of the initial MnII dimer selectively generates either a di‐μ‐oxo or μ‐oxo‐μ‐hydroxo MnIV complex. Both dimers have been characterized by different techniques including single‐crystal X‐ray diffraction and mass spectrometry. Oxygenation reactions carried out with labeled 18O2 unambiguously show that the oxygen atoms present in the MnIV dimers originate from O2. Based on experimental observations and DFT calculations, evidence is provided that these MnIV species comproportionate with a MnII precursor to yield μ‐oxo and/or μ‐hydroxo MnIII dimers. Our work highlights the delicate balance of reaction conditions to control the synthesis of non‐heme high‐valent μ‐oxo and μ‐hydroxo Mn species from MnII precursors and O2.
Acoustic Emission from Organic Martensites
Authors: Panda Manas K. , Etter Martin , Dinnebier Robert E. , Naumov Panče 
Published: May 2017

AbstractIn salient effects, still crystals of solids that switch between phases acquire a momentum and are autonomously propelled because of rapid release of elastic energy accrued during a latent structural transition induced by heat, light, or mechanical stimulation. When mechanical reconfiguration is induced by change of temperature in thermosalient crystals, bursts of detectable acoustic waves are generated prior to self‐actuation. These observations provide compelling evidence that the thermosalient transitions in organic and organic‐containing crystals are molecular analogues of the martensitic transitions in some metals, and metal alloys such as steel and shape‐memory alloys. Within a broader context, these results reveal that, akin to metallic bonding, the intermolecular interactions in molecular solids are capable of gradual accrual and sudden release of a substantial amount of strain during anisotropic thermal expansion, followed by a rapid transformation of the crystal packing in a diffusionless, non‐displacive transition.
Synthesis of novel magnetic nanoparticles with urea or urethane moieties: Applications as catalysts in the Strecker synthesis of α‐aminonitriles
Authors: Baghery Saeed , Zolfigol Mohammad Ali , Schirhagl Romana , Hasani Masoumeh , Stuart Marc C.A. , Nagl Andreas 
Published: May 2017

Four novel magnetic nanoparticle catalysts with urea or urethane moieties are reported. The silica‐coated magnetic nanoparticles were simply functionalized via addition of 3‐(triethoxysilyl)propylisocyanate (TESPIC), amine or amino alcohol. TESPIC with dual labile functional groups was used as a suitable precursor for the synthesis of urethane‐based catalysts. The newly synthesized catalysts were fully characterized using a variety of techniques. These functionalized magnetic nanoparticles were used as reusable catalysts in the Strecker synthesis of α‐aminonitrile derivatives under solvent‐free conditions at 50 °C.
Semitransparent, flexible electrochemical capacitors with excellent stability fabricated with polypyrrole–titanium mesh electrodes
Authors: Yuan Wei , Han Gaoyi , Xiao Yaoming , Chang Yunzhen , Zhang Ying , Song Hua 
Published: May 2017

ABSTRACTPolypyrrole deposited on titanium mesh (PPy–TiM) was fabricated via a galvanostatic method with titanium mesh as the substrate to electrochemically deposit polypyrrole (PPy) doped with p‐toluene sulfonate anions. The influence of the deposition time on the characteristics of the PPy–TiM samples was investigated. Then, semitransparent flexible electrochemical capacitors were assembled with the optimal samples of PPy–TiM as electrodes and H3PO4–poly(vinyl alcohol) as the gel electrolyte. The testing results show that PPy in the optimal PPy–TiM electrode had a specific capacitance of about 326 F/g, and the capacitance of the assembled cells still remained unchanged or up even after 20,000 cycles. Just as expected, the cells possessed semitransparent and good flexibility, and three cells connected in series could drive an LED device. © 2017 Wiley Periodicals, Inc. J. Appl. Polym. Sci., 2017
Glycopolymer brushes with specific protein recognition property
Authors: Kursun Talya Tugana , Cimen Dilek , Caykara Tuncer 
Published: May 2017

ABSTRACTHere, we report the synthesis of glycopolymer brushes on the silicon substrate by interface‐mediated reversible addition‐fragmentation chain transfer polymerization of pentafluorophenyl acrylate as well as subsequent attachment of d‐glucosamine to determine specific and nonspecific protein interactions. The root‐mean‐square roughness of the glycopolymer brushes is only about 3.1 nm, indicating unstable distribution of the collapsed glycopolymer chains on the surface. The water contact angle of glycopolymer brush was determined as ∼53° indicating a hydrophilic behavior. The results of fluorescence microscopy studies indicated that the glycopolymer brushes have specific interaction with fluorescence‐labeled Concanavalin A and nonspecific interaction with fluorescence‐labeled bovine serum albumin. The glycopolymer brushes tested here are hoped to enlarge to our knowledge of recognition phenomena at the surface of polymer brushes. © 2017 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2017, 134, 45238.
Regulation of the mechanical properties and heat resistance of the poly(l‐lactide‐co‐trimethylene carbonate) copolymer by the incorporation of a stereocomplex crystal and graphene oxide
Authors: Li Qi , Tian Xiujuan , Yu Cuixiang , Zhang Ruliang , Wei Shuxin , Zhao Lifen 
Published: May 2017

ABSTRACTStereocomplex crystals of polylactide and graphene oxide (GO) were simultaneously used to regulate the mechanical properties and heat resistance of a poly(l‐lactide‐co‐trimethylene carbonate) [P(LLA‐co‐TMC)] copolymer. The crystallization behaviors in the nonisothermal cold‐crystallization process of P(LLA‐co‐TMC)–poly(d‐lactide) (PDLA) blends and P(LLA‐co‐TMC)–PDLA–GO composites were investigated by differential scanning calorimetry, wide‐angle X‐ray diffraction, and polarized optical microscopy. Data from the crystallization kinetics and the crystallization active energy indicated that GO both promoted nucleation and limited growth during the stereocomplex crystallization process. Three kind of samples (without crystallization, with low crystallinity, and with high crystallinity) were used to investigate the mechanical properties and heat resistance. We found a decrease in the elongation at break when the stereocomplex crystal and GO contents were increased, and this was accompanied by an improvement in the tensile strength. The change in the storage modulus value determined by dynamic mechanical analysis demonstrated that both the stereocomplex crystal and GO effectively improved the heat resistance. These results indicate that this study provided a new strategy for fabricating a P(LLA‐co‐TMC) copolymer with good comprehensive properties at was entirely different from common chemical crosslinking methods. © 2017 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2017, 134, 45248.
Relationship between structure and properties in high‐performance PA6/SEBS‐g‐MA/(PPO/PS) blends: The role of PPO and PS
Authors: Wu Yijian , Zhang Hui , Shentu Baoqing , Weng Zhixue 
Published: May 2017

ABSTRACTThis work aimed at studying the role of poly(phenylene oxide) (PPO) and polystyrene (PS) in toughening polyamide‐6 (PA6)/styrene‐ethylene‐butadiene‐styrene block copolymer grafted with maleic anhydride (SEBS‐g‐MA) blends. The effects of weight ratio and content of PPO/PS on the morphology and mechanical behaviors of PA6/SEBS‐g‐MA/(PPO/PS) blends were studied by scanning electron microscope and mechanical tests. Driving by the interfacial tension and the spreading coefficient, the “core–shell” particles formed by PPO/PS (core) and SEBS‐g‐MA (shell) played the key role in toughening the PA6 blends. As PS improved the distribution of the “core–shell” particles due to its low viscosity, and PPO guaranteed the entanglement density of the PPO/PS phase, the 3/1 weight ratio of PPO/PS supplied the blends optimal mechanical properties. Within certain range, the increased content of PPO/PS could supply more efficient toughening particles and bring better mechanical properties. Thus, by adjusting the weight ratio and content of PPO and PS, the PA6/SEBS‐g‐MA/(PPO/PS) blends with excellent impact strength, high tensile strength, and good heat deflection temperature were obtained. © 2017 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2017, 134, 45281.
The prediction models for postoperative overall survival and disease‐free survival in patients with breast cancer
Authors: Shigemizu Daichi , Iwase Takuji , Yoshimoto Masataka , Suzuki Yasuyo , Miya Fuyuki , Boroevich Keith A , Katagiri Toyomasa , Zembutsu Hitoshi , Tsunoda Tatsuhiko 
Published: May 2017

AbstractThe goal of this study is to establish a method for predicting overall survival (OS) and disease‐free survival (DFS) in breast cancer patients after surgical operation. The gene expression profiles of cancer tissues from the patients, who underwent complete surgical resection of breast cancer and were subsequently monitored for postoperative survival, were analyzed using cDNA microarrays. We detected seven and three probes/genes associated with the postoperative OS and DFS, respectively, from our discovery cohort data. By incorporating these genes associated with the postoperative survival into MammaPrint genes, often used to predict prognosis of patients with early‐stage breast cancer, we constructed postoperative OS and DFS prediction models from the discovery cohort data using a Cox proportional hazard model. The predictive ability of the models was evaluated in another independent cohort using Kaplan–Meier (KM) curves and the area under the receiver operating characteristic curve (AUC). The KM curves showed a statistically significant difference between the predicted high‐ and low‐risk groups in both OS (log‐rank trend test P = 0.0033) and DFS (log‐rank trend test P = 0.00030). The models also achieved high AUC scores of 0.71 in OS and of 0.60 in DFS. Furthermore, our models had improved KM curves when compared to the models using MammaPrint genes (OS: P = 0.0058, DFS: P = 0.00054). Similar results were observed when our model was tested in publicly available datasets. These observations indicate that there is still room for improvement in the current methods of predicting postoperative OS and DFS in breast cancer.
Making markets with the dead: Residential burial among theYoruba
Authors: Ojo Sanya 
Published: May 2017

AbstractThe study examines how traditional meanings attributed to housing and the rituals relating to death and burials on private properties are being challenged due to modernisation, familial politics, and contending sets of interests (i.e., valuing property for its economic capital vs. social/cultural capital). The methodology approach is based on in‐depth interviews with 12 respondents from a diverse range of socio‐economic backgrounds. Findings reveal how negotiations and renegotiations of interests affect the physical state and marketability of houses in the Yoruba communities. The findings also sign‐post a fascinating entry point for exploring the way Yoruba are negotiating and navigating the relationship between modernity and tradition. An important implication for marketing and consumption praxes concerns the dynamism in the narratives of ritual behaviour, especially in the non‐Western tradition. The paper contributes to the navigation of relationships between the living and the dead within a Nigerian subculture from a marketing perspective.
Influence of radial versus femoral access site on coronary angiography and intervention outcomes: A systematic review and meta‐analysis
Authors: Brener Michael I. , Bush Aaron , Miller Julie M. , Hasan Rani K. 
Published: May 2017

ObjectivesSystematic review and meta‐analysis of randomized clinical trials (RCT) to compare procedural outcomes between radial access (RA) and femoral access (FA).BackgroundRecent RCTs suggest RA for coronary angiography and percutaneous coronary intervention reduces bleeding complications, but controversy exists regarding other benefits and risks relative to FA.MethodsSearches of MEDLINE, EMBASE, CENTRAL, LILACS, and major conference abstracts identified relevant studies published from 1985‐2016. We qualitatively evaluated study methodology and risk of bias. Quantitative data were abstracted relevant to the primary endpoints of major adverse cardiovascular events (MACE) and major bleeding (MB), and secondary outcomes including vascular complications and procedural failure.ResultsWe identified 2,098 titles, from which 48 studies with 29,446 patients met inclusion criteria for our analysis. We found there was a significant reduction of MACE with RA versus FA (RR 0.86, 95% CI 0.77–0.95, I2 = 0%), driven by a reduction in death, but not MI or stroke. MB occurred less frequently with RA (RR 0.54, 95% CI 0.44–0.67, I2 = 4%). Vascular complications were also reduced with RA (RR 0.39, 95% CI 0.25–0.59, I2 = 75%), while procedural failure was more common (RR 2.15, 95% CI 1.65–2.82, I2 = 53%), although there was significant statistical heterogeneity for both of these outcomes. Most studies demonstrated low risk of selection and attrition biases, but high risk of detection bias.ConclusionsRadial access reduces the risk of death, major bleeding, and vascular complications as compared to femoral access but increases the risk of procedural failure. © 2017 Wiley Periodicals, Inc.
Inosine Can Increase DNA′s Susceptibility to Photo‐oxidation by a RuII Complex due to Structural Change in the Minor Groove
Authors: Keane Páraic M. , Hall James P. , Poynton Fergus E. , Poulsen Bjørn C. , Gurung Sarah P. , Clark Ian P. , Sazanovich Igor V. , Towrie Michael , Gunnlaugsson Thorfinnur , Quinn Susan J. , Cardin Christine J. , Kelly John M. 
Published: May 2017

AbstractKey to the development of DNA‐targeting phototherapeutic drugs is determining the interplay between the photoactivity of the drug and its binding preference for a target sequence. For the photo‐oxidising lambda‐[Ru(TAP)2(dppz)]2+ (Λ‐1) (dppz=dipyridophenazine) complex bound to either d{T1C2G3G4C5G6C7C8G9A10}2 (G9) or d{TCGGCGCCIA}2 (I9), the X‐ray crystal structures show the dppz intercalated at the terminal T1C2;G9A10 step or T1C2;I9A10 step. Thus substitution of the G9 nucleobase by inosine does not affect intercalation in the solid state although with I9 the dppz is more deeply inserted. In solution it is found that the extent of guanine photo‐oxidation, and the rate of back electron‐transfer, as determined by pico‐ and nanosecond time‐resolved infrared and transient visible absorption spectroscopy, is enhanced in I9, despite it containing the less oxidisable inosine. This is attributed to the nature of the binding in the minor groove due to the absence of an NH2 group. Similar behaviour and the same binding site in the crystal are found for d{TTGGCGCCAA}2 (A9). In solution, we propose that intercalation occurs at the C2G3;C8I9 or T2G3;C8A9 steps, respectively, with G3 the likely target for photo‐oxidation. This demonstrates how changes in the minor groove (in this case removal of an NH2 group) can facilitate binding of RuIIdppz complexes and hence influence any sensitised reactions occurring at these sites. No similar enhancement of photooxidation on binding to I9 is found for the delta enantiomer.
Helically Chiral Peptides That Contain Ferrocene‐1,1′‐diamine Scaffolds as a Turn Inducer
Authors: Kovačević Monika , Kodrin Ivan , Roca Sunčica , Molčanov Krešimir , Shen Yuning , Adhikari Bimalendu , Kraatz Heinz‐Bernhard , Barišić Lidija 
Published: May 2017

AbstractA series of peptides that contain homo‐ and heterochiral Ala−Pro sequences attached to the turn‐inducing ferrocene‐1,1′‐diamine scaffold were synthesized. The effects of the backbone chirality and the N‐terminal group (Boc/Ac) on the conformational properties of the novel peptidomimetics were thoroughly explored by IR, NMR, and CD spectroscopy and the experimental observations were corroborated by DFT studies in solution. The most stable conformers of the homochiral peptides adopted the interstrand hydrogen‐bond patterns, realized through ten‐ and thirteen‐membered rings. The common feature of the most stable conformers of the heterochiral peptides was the adoption of the turn‐like structures that feature the simultaneous intra‐ (seven‐membered) and interstrand (sixteen‐membered) hydrogen‐bonded rings. An exchange of two N‐terminal groups had a somewhat larger influence on the distribution of the hydrogen‐bond patterns in homochiral than in heterochiral derivatives. The homochiral peptides that contain pyridine moieties as metal coordination sites formed 1:1 complexes with divalent metal ions, which included Zn2+, Cd2+, Cu2+ and Fe2+.
Starch‐based composites using mature fine tailings as fillers
Authors: Moran Daniel A. , Soares João B. P. 
Published: May 2017

AbstractMature fine tailings (MFT) are one of the major environmental problems associated with the oil sands industry in Canada. To help mitigate the negative impact tailings have on the environment, we prepared MFT/starch composites and studied their morphology, water resistance, and mechanical properties as a function of filler percentage. The motivation behind this approach is to turn waste tailings into a source of potentially useful materials. We compared the MFT/starch composites to similar composites made with montmorillonite (MMT), cellulose nanocrystals (CNC), and Dean Stark solids (DS). The water resistance of MFT/starch and DS/starch composites improved 6 % at the highest filler content. MFT/starch and DS/starch composites had similar mechanical properties, but performed better than plasticized starch, with an increasing tensile modulus with increasing filler content. Despite the higher modulus increase in intercalated MMT/starch and CNC/starch composites (up to 5 % filler), the MFT/starch composites with filler contents higher than 10 % achieved the same tensile modulus values; since our objective was to transform as much MFT as possible into useable materials, this can be seen as a positive feature of these composites. The dynamic mechanical analysis of the composites showed they were heterogeneous and identified a plasticizer‐rich phase and a starch‐rich phase.
Gold(I) Hydrides as Proton Acceptors in Dihydrogen Bond Formation
Authors: Cukrowski Ignacy , de Lange Jurgens H. , Groenewald Ferdinand , Raubenheimer Helgard G. 
Published: May 2017

AbstractWavefunction and DFT calculations indicate thatanionicdihydride complexes of AuIform strong to moderate directed Au−H⋅⋅⋅H bonds with one or two HF, H2O and NH3prototype proton donor molecules. The largely electrostatic interaction is influenced by relativistic effects which, however, do not increase the binding energy. Very weak Au⋅⋅⋅H associations—exhibiting a corresponding bond path—occur betweenneutralAuH and HF units, although ultimately F becomes the preferred donor atom in the most stable structure. Increasing the hydridicity of AuH by attachment of an electron donating NHC ligand effects Au‐H⋅⋅⋅H bonding of moderate strength only with HF, whereas competing Au⋅⋅⋅H interactions dominate for H2O and NH3. Rare η2coordinated and HX (X=F or OH) associated H2complexes are produced during interaction with a single ion of stronger acidity, H2F+or H3O+. Theoretically, reaction of excess [AuH2]−as proton acceptor with H3O+or NH4+in 3:1 or 4:1 ionic ratios, respectively, affords H⋅⋅⋅H bonded analogues of Eigen‐type adducts. Outstanding analytical relationships between selected bonding parameters support the integrity of the results.
Capturing Conformation‐Dependent Photoreactivity of Crystalline 3‐Azido‐1,3‐diphenylisobutyrophenone
Authors: Karthik Sambath , Thenna‐Hewa Kosala R. S. , Shields Dylan J. , Liu Jinhao , Krause Jeanette A. , Gudmundsdottir Anna D. 
Published: May 2017

AbstractSolid‐state photolysis of 3‐azido‐1,3‐diphenyl‐isobutyrophenone 1 results in selective formation of isobutyrophenone 2 and benzonitrile 3. X‐ray structure analysis of azide 1 demonstrates that the conformer (1Cr) adopted for packing in the crystal lattice has the carbonyl moiety perpendicular to the α‐phenyl group (Ph‐C=O torsional angle of 85°). Laser flash photolysis of azide 1 nanocrystals allows direct detection of the lowest excited triplet ketone (TK) of 1Cr (λmax≈475 nm). Thus, in crystals, 1 is proposed to react via the TK state to cleave the Cβ−Cγ bond. Time‐dependent density functional theory (TD‐DFT) calculations verify that the energy of the TK of 1Cr is 79 kcal mol−1 above the ground state (S0), and thus TK has sufficient energy for cleavage of the Cβ−Cγ bond to form products 2 and 3, further supporting this solid‐state reaction mechanism.