bluuebunny/crossref_metadata_2025_split huggingface dataset:
Genetic‐genealogy approach reveals low rate of extrapair paternity in historical Dutch populations
Authors: Larmuseau Maarten H. D. , Claerhout Sofie , Gruyters Leen , Nivelle Kelly , Vandenbosch Michiel , Peeters Anke , van den Berg Pieter , Wenseleers Tom , Decorte Ronny 
Published: July 2017

AbstractObjectiveEvolutionary theory has shown that seeking out extrapair paternity (EPP) can be a viable reproductive strategy for both sexes in pair‐bonded species, also in humans. As yet, estimates of the contemporary or historical EPP rate in human population are still rare. In the present study, we estimated the historical EPP rate in the Dutch population over the last 400 years and compared the rate with those obtained for other human populations to determine the evolutionary, cultural, and socio‐demographic factors that influence human cuckoldry behavior.MethodsWe estimated the historical EPP rate for the Dutch population via the “genealogical pair method”, in which the EPP rate is derived from Y‐chromosome mismatches between pairs of individuals that, based on genealogical evidence, share a common paternal ancestor.ResultsBased on the analysis of 68 representative genealogical pairs, separated by a total of 1013 fertilization events, we estimated that the historical EPP rate for the Dutch population over the last 400 years was 0.96% per generation (95% confidence interval 0.46%‐1.76%).ConclusionThe Dutch EPP rate fits perfectly within the range reported for other contemporary and historical populations in Western Europe and was highly congruent with that estimated for neighboring Flanders, despite the socio‐economic and religious differences between both populations. The estimated low EPP rate challenges the “dual mating strategy hypothesis” that states that women could obtain fitness benefits by securing investment from one man while cuckolding him to obtain good genes from an affair partner.
Kupferkatalysierte decarboxylierende radikalische Silylierung von redoxaktiven aliphatischen Carbonsäurederivaten
Authors: Xue Weichao , Oestreich Martin 
Published: July 2017

AbstractEs wird über eine decarboxylierende Silylierung von aliphatischen Estern des N‐Hydroxyphthalimids (NHPI) mit Si‐B‐Reagenzien als Siliciumpronukleophile berichtet. Diese C(sp3)‐Si‐Kreuzkupplung wird durch Kupfer(I) katalysiert und folgt selbst unter Lichtausschluss einem Radikalmechanismus. Primäre und sekundäre Alkylgruppen gehen die Kupplung gleichermaßen effektiv ein, während tertiäre Gruppen vermutlich sterisch zu gehindert sind. Die Toleranz gegenüber funktionellen Gruppen ist insgesamt hervorragend, und α‐heteroatomsubstituierte Substrate reagieren ebenfalls gut. Das macht beispielsweise die Darstellung von α‐silylierten Aminen ausgehend von NHPI‐Estern abgeleitet von α‐Aminosäuren möglich. Die neue Methode ergänzt die noch immer überschaubare Zahl an C(sp3)‐Si‐Kreuzkupplungen nichtaktivierter Alkylelektrophile.
Exceptionally Strong Electron‐Donating Ability of Bora‐Ylide Substituent vis‐à‐vis Silylene and Silylium Ion
Authors: Rosas‐Sánchez Alfredo , Alvarado‐Beltran Isabel , Baceiredo Antoine , Saffon‐Merceron Nathalie , Massou Stéphane , Branchadell Vicenç , Kato Tsuyoshi 
Published: July 2017

AbstractElectropositive boron‐based substituent (phosphonium bora‐ylide) with an exceptionally strong π‐ and σ‐electron donating character dramatically increases the stability of a new type of N‐heterocyclic silylene 2 featuring amino‐ and bora‐ylide‐substituents. Moreover, the related silylium ion 4 and transition‐metal–silylene complexes, with trigonal‐planar geometries around the silicon center, are also well stabilized. Therefore, the N,B‐heterocyclic silylene 2 can be used as a strongly electron‐donating innocent ligand in coordination chemistry similarly to N‐heterocyclic carbenes.
Stereoselective Synthesis of Piperidines by Iridium‐Catalyzed Cyclocondensation
Authors: Sandmeier Tobias , Krautwald Simon , Carreira Erick M. 
Published: July 2017

AbstractAn iridium‐catalyzed cyclocondensation of amino alcohols and aldehydes is reported. Intramolecular allylic substitution by an enamine intermediate and subsequent in situ reduction furnishes 3,4‐disubstituted piperidines with high enantiospecificity and good diastereoselectivity. The modular approach and the broad functional group tolerance provide access to diverse piperidine derivatives, which were further functionalized to give a versatile set of products.
Copper‐Catalyzed Decarboxylative Radical Silylation of Redox‐Active Aliphatic Carboxylic Acid Derivatives
Authors: Xue Weichao , Oestreich Martin 
Published: July 2017

AbstractA decarboxylative silylation of aliphatic N‐hydroxyphthalimide (NHPI) esters using Si−B reagents as silicon pronucleophiles is reported. This C(sp3)−Si cross‐coupling is catalyzed by copper(I) and follows a radical mechanism, even with exclusion of light. Both primary and secondary alkyl groups couple effectively, whereas tertiary alkyl groups are probably too sterically hindered. The functional‐group tolerance is generally excellent, and α‐heteroatom‐substituted substrates also participate well. This enables, for example, the synthesis of α‐silylated amines starting from NHPI esters derived from α‐amino acids. The new method extends the still limited number of C(sp3)−Si cross‐couplings of unactivated alkyl electrophiles.
Anti‐proliferative activity of newly synthesized Cd(II), Cu(II), Zn(II),Ni(II), Co(II), VO(II), and Mn(II) complexes of 2‐((4,9‐dimethoxy‐5‐oxo‐5H‐furo[3,2‐g]chromen‐6‐yl)methylene) hydrazinecarbothioamide on three human cancer cells
Authors: Shakdofa Mohamad M.E. , Mousa Hanan A. , Elseidy Ahmed M.A. , Labib Ammar A. , Ali Mamdouh M. , Abd‐El‐All Amira S. 
Published: July 2017

Thiosemicarbazone ligand, 2‐((4,9‐dimethoxy‐5‐oxo‐5H‐furo[3,2‐g]chromen‐6‐yl)methylene) hydrazinecarbothioamide and its Cd(II), Cu(II), Zn(II), Ni(II), Co(II), VO(II), and Mn(II) complexes have been prepared and characterized by various spectroscopic and analytical techniques. Complexes molar conductance measurements displayed that all complexes (2–8) are non‐electrolyte. With general composition [M(H3L)(CH3COO)2H2O].nH2O, where M = Cd(II), Cu(II), Zn(II), Ni(II), Co(II) and Mn(II) while complex (8) has [VO(H3L)(SO4)H2O].2H2O formula. Based on analytical and spectral measurements, the octahedral or distorted octahedral geometries suggested for complexes. Ligand and complexes anti‐proliferative activities were assessed against three various human tumor cell lines including breast cancer (MCF‐7), liver cancer (HepG2) and lung cancer (A549) using SRB fluorometric assay and cis‐platin as positive control. The anti‐proliferative activity result indicated that the ligand and its complexes have considerable anti‐proliferative activity analogous to that of ordinarily utilized anti‐cancer drug (cis‐platin). They do their anti‐cancer activities by modifying free radical's generation via raising the superoxide dismutase activity and depletion of intracellular reduced glutathione level, catalase, glutathione peroxidase activities, escorted by highly generation of hydrogen peroxide, nitric oxide and other free radicals leading to tumor cells death, as monitoring by decreasing the protein and nucleic acids synthesis.
Impact of the hard‐segment concentration on highly resilient polyurethane foams based on palm olein polyol
Authors: Adnan Srihanum , Tuan Noor Maznee T. I. , ‘Ain Nurul H. , Devi Kosheela P. P. , Mohd Norhisham S. , Shoot Kian Yeong , Idris Zainab B. , Campara Irma , Schiffman Christi M. , Pietrzyk Karol , Sendijarevic Vahid , Sendijarevic Ibrahim 
Published: July 2017

ABSTRACTThe impact of replacing polyether polyol with different levels of a palm‐olein‐based natural oil polyol (NOP) was systematically correlated with the changes in the foaming reactivities, cell structures, physicomechanical properties, and morphologies of highly resilient (HR) polyurethane foams. Replacing the polyether polyol with the NOP did not require us to significantly modify the formulation to obtain stabile foams with uniform and open cell structures. The incorporation of the NOP increased the tear strength and load‐bearing capacity of the HR polyurethane foams; this was attributed to the high functionality and lower equivalent weight of the NOP. The addition of the NOP increased the energy‐absorbing properties of the molded HR foams; this correlated with the increased phase mixing of hard and soft segments, as determined via dynamic mechanical analysis and Fourier transform infrared analyses. The HR‐molded foams’ hysteresis and compression sets, which are inversely correlated with the durability of HR‐molded foams in automotive seating applications, were found to increase with the addition of the NOP. However, it was demonstrated that the changes in the hysteresis and compression set could be partially offset by the reduction of the isocyanate index, which could allow for the increased incorporation of the NOPs in the HR foams without a notable loss of key performance characteristics. © 2017 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2017, 134, 45440.
Poly(lactic acid)/starch composites: Effect of microstructure and morphology of starch granules on performance
Authors: Khalid Saud , Yu Long , Meng Linghan , Liu Hongsheng , Ali Amjad , Chen Ling 
Published: July 2017

ABSTRACTStarches used to develop biodegradable composites belong to different botanical sources that exhibit different microstructures and morphologies. This results in confused relationship and no comparison of data for applications. In this work, the most popular ten different starches were used as model materials to investigate the relationship between starch microstructure and the performance of poly(lactic acid) (PLA)/starch composites. It was found that: (a) composites filled with either well‐sized (small‐sized and non‐agglomerated) starch granules or those containing high amylose content (G‐50 and G‐80) improves the reinforcing ability of PLA, with least reduction in deformation; (b) aggregation tendency of small‐sized starch granules can be controlled using surface modification approach that not only reduces the phase‐separation between starch and PLA but also improves the dispersion; and (c) no discernible relationship exists between the starches, from different botanical sources, and the thermal performance of PLA/starch composites. The results provide practical guidelines to develop starch‐based biodegradable composites for commercial applications. © 2017 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2017, 134, 45504.
Investigation of the microstructures, properties, and toughening mechanism of polypropylene/calcium carbonate toughening masterbatch composites
Authors: Lu Qi‐Cheng , Dou Qiang 
Published: July 2017

ABSTRACTThe morphologies, crystallization and melting behaviors, and mechanical, thermal and processing properties of polypropylene (PP)/CaCO3 toughening masterbatch (CTM) composites were investigated. The good dispersion of CaCO3 particles via appropriate surface encapsulation in the composites is proven by density measurements and scanning electron microscopy images. The crystallinity and tensile strength of PP decrease with the addition of CTM. The flexural modulus and storage modulus (E′) at 23 °C increase with CTM content, implying improved stiffness. A sharp increase in the Izod notched impact strength can be observed for the composites, and the critical ligament thickness (τc) is calculated to be 1.31 and 2.46 μm for PP (S1003) and PP (001 G) composites, respectively. The morphologies of the impact‐fractured surfaces of the specimens were observed, and the shear deformation is enhanced by the addition of CTM. The presence of CTM also increases the melt flowability and decreases the shrinkage of the composites. © 2017 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2017, 134, 45515.
Induction of stress‐ and immune‐associated genes in the Indian meal moth Plodia interpunctella against envenomation by the ectoparasitoid Bracon hebetor
Authors: Shafeeq Tahir , UlAbdin Zain , Lee Kyeong‐Yeoll 
Published: July 2017

AbstractEnvenomation is an important process in parasitism by parasitic wasps; it suppresses the immune and development of host insects. However, the molecular mechanisms of host responses to envenomation are not yet clear. This study aimed to determine the transcription‐level responses of the Indian meal moth Plodia interpunctella against envenomation of the ectoparasitoid Bracon hebetor. Quantitative real‐time reverse‐transcription PCR was used to determine the transcriptional changes of 13 selected genes, which are associated with development, metabolism, stress, or immunity, in the feeding and wandering fifth instar larvae over a 4‐day period after envenomation. The effects of envenomation on the feeding‐stage larvae were compared with those of starvation in the transcriptional levels of the 13 genes. Most selected genes were altered in their expression by either envenomation or starvation. In particular, a heat shock protein, hsp70, was highly upregulated in envenomated larvae in both the feeding and wandering stages as well as in starved larvae. Further, some genes were upregulated by envenomation in a stage‐specific manner. For example, hsp25 was upregulated after envenomation in the feeding larvae, but hsp90 and an immune‐associated gene, hemolin, were upregulated in the wandering larvae. However, both envenomation and starvation resulted in the downregulation of genes associated with development and metabolism. Taken together, P. interpunctella upregulated stress‐ and immune‐responsive genes, but downregulated genes associated with development and metabolism after envenomation. This study provides important information for understanding the molecular mechanisms of host responses to parasitism.
Über ein elastoplastisches Stoffgesetz für zyklisch beanspruchten Sand
Authors: Carow Christian , Rackwitz Frank , Savidis Stavros 
Published: July 2017

AbstractDie numerische Simulation aktueller Problemstellungen in der Geotechnik erfordert Stoffgesetze, die das Spannungs‐Dehnungsverhalten von Sand realitätsnah beschreiben. In Bezug auf monotone Lasten sind mit bestehenden Modellierungsansätzen bereits sehr gute Ergebnisse zu erzielen. Das Materialverhalten bei zyklischer Beanspruchung ist jedoch außerordentlich komplex. Selbst die derzeit leistungsfähigsten Stoffgesetze können nur einzelne Aspekte abbilden. Daher ist weitere Forschungsarbeit dringend erforderlich.Vor diesem Hintergrund stellt der Beitrag ein Stoffgesetz für Sand vor, das auf der Grenzflächenplastizität sowie dem Konzept kritischer Zustände basiert. Es kann das Verhalten des Bodens für komplexe zyklische Belastungspfade über eine breite Spanne von Dichte‐ und Spannungszuständen mit einem einzigen Parametersatz abbilden. Die Funktionsweise des Stoffgesetzes wird im Beitrag konzeptionell dargestellt. Die Ergebnisse der numerischen Simulation zyklischer undränierter Triaxialversuche werden den Ergebnissen entsprechender Laborversuche gegenübergestellt. Der Vergleich liefert eine gute Übereinstimmung. Die Eignung des Stoffgesetzes für den Einsatz in komplexen numerischen Simulationen wird anhand eines Berechnungsbeispiels gezeigt. Hierfür wurde ein Staudamm gewählt, der durch einen Erdbebenzeitverlauf an der Basis angeregt wird. Abschließend werden im Beitrag Ansätze zur Weiterentwicklung des Stoffgesetzes aufgezeigt.
Solvent‐Free Off–On Detection of the Improvised Explosive Triacetone Triperoxide (TATP) with Fluorogenic Materials
Authors: Calvo‐Gredilla Patricia , García‐Calvo José , Cuevas José V. , Torroba Tomás , Pablos Jesús‐Luis , García Félix C. , García José‐Miguel , Zink‐Lorre Nathalie , Font‐Sanchis Enrique , Sastre‐Santos Ángela , Fernández‐Lázaro Fernando 
Published: July 2017

AbstractA fluorogenic perylenediimide‐functionalized polyacrylate capable of generating color and fluorescence changes in the presence of triacetone triperoxide TATP), an improvised explosive used in terrorist attacks, under solvent‐free, solid‐state conditions has been developed. The material works by accumulating volatile TATP until it reaches a threshold; therefore, triggering colorimetric and fluorescent responses.
Discrepancy Between Experimental and Theoretical Predictions of the Adiabaticity of Ti++CH3OH
Authors: Sweeny Brendan C. , Ard Shaun G. , McDonald David C. , Martinez Oscar , Viggiano Albert A. , Shuman Nicholas S. 
Published: July 2017

AbstractThe reaction between Ti+ and methanol (CH3OH) is a model system for competition between activation of C−O, C−H, and O−H bonds and of the role of excited electronic pathways in catalytic processes. Herein, we use experimental kinetics, quantum chemical calculations, and statistical modeling to identify the critical features of the reaction's potential energy surface. Experimental kinetics data between 300 and 600 K shows the reaction largely proceeds through C−O bond activation, yielding TiOH+ and TiO+. Products of the O−H activation pathway, TiOCH2+ and TiOCH3+ are minor, whereas C−H bond activation is not observed at thermal energies. Statistical modeling well‐reproduces the experimental results and offers insight into the reaction mechanism. Notably, efficient spin‐crossing along the C−O activation pathway is required to produce the observed product distribution, in contrast to a previous estimate of inefficient crossing based on calculation of a small spin‐orbit coupling constant. This discrepancy highlights a potential limitation of simple models within the Landau–Zener framework, which are commonly used to calculate surface‐crossing probabilities in reactive systems.
Exploiting the MeDbz Linker To Generate Protected or Unprotected C‐Terminally Modified Peptides
Authors: Arbour Christine A. , Saraha Hasina Y. , McMillan Timothy F. , Stockdill Jennifer L. 
Published: July 2017

AbstractC‐terminally modified peptides are important targets for pharmaceutical and biochemical applications. Known methods for C‐terminal diversification are limited mainly in terms of the scope of accessible modifications or by epimerization of the C‐terminal amino acid. In this work, we present a broadly applicable approach that enables access to a variety of C‐terminally functionalized peptides in either protected or unprotected form. This chemistry proceeds without epimerization of C‐terminal Ala and tolerates nucleophiles of varying nucleophilicity. Finally, unprotected peptides bearing nucleophilic side chain groups can be selectively functionalized by strong nucleophiles, whereas macrocyclization is observed for weaker nucleophiles. The potential utility of this method is demonstrated through the divergent synthesis of the conotoxin conopressin G and GLP‐1(7‐36) and analogs.
Targeting of a Helix‐Loop‐Helix Transcriptional Regulator by a Short Helical Peptide
Authors: Roschger Cornelia , Neukirchen Saskia , Elsässer Brigitta , Schubert Mario , Maeding Nicole , Verwanger Thomas , Krammer Barbara , Cabrele Chiara 
Published: July 2017

AbstractThe Id proteins (Id1–4) are cell‐cycle regulators that play a key role during development, in cancer and vascular disorders. They contain a conserved helix‐loop‐helix (HLH) domain that folds into a parallel four‐helix bundle upon self‐ or hetero‐association with basic‐HLH transcription factors. By using such protein–protein interactions, the Id proteins inhibit cell differentiation and promote cell‐cycle progression. Accordingly, their supporting role in cancer has been convincingly demonstrated, which makes these proteins interesting therapeutic targets. Herein we present a short peptide containing an (i,i+4)‐lactam bridge and a hydrophobic (Φ) three‐residue motif Φ(i)−Φ(i+3)−Φ(i+6), which adopts a helical conformation in water, shows Id protein binding in the low‐micromolar range, penetrates into breast (MCF‐7 and T47D) and bladder (T24) cancer cells, accumulates in the nucleus, and decreases cell viability to ∼50 %. Thus, this cyclopeptide is a promising scaffold for the development of Id protein binders that impair cancer cell viability.
Contemporary use trends and survival outcomes in patients undergoing radical cystectomy or bladder‐preservation therapy for muscle‐invasive bladder cancer
Authors: Cahn David B. , Handorf Elizabeth A. , Ghiraldi Eric M. , Ristau Benjamin T. , Geynisman Daniel M. , Churilla Thomas M. , Horwitz Eric M. , Sobczak Mark L. , Chen David Y. T. , Viterbo Rosalia , Greenberg Richard E. , Kutikov Alexander , Uzzo Robert G. , Smaldone Marc C. 
Published: July 2017

BACKGROUNDThe current study was performed to examine temporal trends and compare overall survival (OS) in patients undergoing radical cystectomy (RC) or bladder‐preservation therapy (BPT) for muscle‐invasive urothelial carcinoma of the bladder.METHODSThe authors reviewed the National Cancer Data Base to identify patients with AJCC stage II to III urothelial carcinoma of the bladder from 2004 through 2013. Patients receiving BPT were stratified as having received any external‐beam radiotherapy (any XRT), definitive XRT (50‐80 grays), and definitive XRT with chemotherapy (CRT). Treatment trends and OS outcomes for the BPT and RC cohorts were evaluated using Cochran‐Armitage tests, unadjusted Kaplan‐Meier curves, adjusted Cox multivariate regression, and propensity score matching, using increasingly stringent selection criteria.RESULTSA total of 32,300 patients met the inclusion criteria and were treated with RC (22,680 patients) or BPT (9620 patients). Of the patients treated with BPT, 26.4% (2540 patients) and 15.5% (1489 patients), respectively, were treated with definitive XRT and CRT. Improved OS was observed for RC in all groups. After adjustments with more rigorous statistical models controlling for confounders and with more restrictive BPT cohorts, the magnitude of the OS benefit became attenuated on multivariate (any XRT: hazard ratio [HR], 2.115 [95% confidence interval [95% CI], 2.045‐2.188]; definitive XRT: HR, 1.870 [95% CI, 1.773‐1.972]; and CRT: HR, 1.578 [95% CI, 1.474‐1.691]) and propensity score (any XRT: HR, 2.008 [95% CI, 1.871‐2.154]; definitive XRT: HR, 1.606 [95% CI, 1.453‐1.776]; and CRT: HR, 1.406 [95% CI, 1.235‐1.601]) analyses.CONCLUSIONSIn the National Cancer Data Base, receipt of BPT was associated with decreased OS compared with RC in patients with stage II to III urothelial carcinoma. Increasingly stringent definitions of BPT and more rigorous statistical methods adjusting for selection biases attenuated observed survival differences. Cancer 2017;123:4337‐45. © 2017 American Cancer Society.