bluuebunny/crossref_metadata_2025_split huggingface dataset:
Allostatic load and biological anthropology
Authors: Edes Ashley N. , Crews Douglas E. 
Published: January 2017

AbstractMultiple stressors affect developing and adult organisms, thereby partly structuring their phenotypes. Determining how stressors influence health, well‐being, and longevity in human and nonhuman primate populations are major foci within biological anthropology. Although much effort has been devoted to examining responses to multiple environmental and sociocultural stressors, no holistic metric to measure stress‐related physiological dysfunction has been widely applied within biological anthropology. Researchers from disciplines outside anthropology are using allostatic load indices (ALIs) to estimate such dysregulation and examine life‐long outcomes of stressor exposures, including morbidity and mortality. Following allostasis theory, allostatic load represents accumulated physiological and somatic damage secondary to stressors and senescent processes experienced over the lifespan. ALIs estimate this wear‐and‐tear using a composite of biomarkers representing neuroendocrine, cardiovascular, metabolic, and immune systems. Across samples, ALIs are associated significantly with multiple individual characteristics (e.g., age, sex, education, DNA variation) of interest within biological anthropology. They also predict future outcomes, including aspects of life history variation (e.g., survival, lifespan), mental and physical health, morbidity and mortality, and likely health disparities between groups, by stressor exposures, ethnicity, occupations, and degree of departure from local indigenous life ways and integration into external and commodified ones. ALIs also may be applied to similar stress‐related research areas among nonhuman primates. Given the reports from multiple research endeavors, here we propose ALIs may be useful for assessing stressors, stress responses, and stress‐related dysfunction, current and long‐term cognitive function, health and well‐being, and risk of early mortality across many research programs within biological anthropology.
Gigantopithecus blacki: a giant ape from the Pleistocene of Asia revisited
Authors: Zhang Yingqi , Harrison Terry 
Published: January 2017

AbstractGigantopithecus blackiis the largest hominoid that ever lived. The consensus view is that it is a specialized pongine and late‐surviving member of theSivapithecus‐Indopithecuslineage. It is known primarily from Early and Middle Pleistocene cave sites in southern China, dating from 2.0 Ma to almost 300 ka. The cause of its extinction in the late Middle Pleistocene is unknown, but ecological change or the arrival ofHomo erectusmay have been contributing factors.Gigantopithecusis highly specialized in its dentognathic anatomy, with a unique combination of features that distinguish it from all other hominoids. Based on the size of its dentition and mandible, a reasonable estimate of its body mass would be 200–300 kg. There was a progressive increase in dental size from the Early Pleistocene to the Middle Pleistocene, and possibly a shift towards greater complexity of the cheek teeth.Gigantopithecusexhibits a relatively high degree of sexual dimorphism, implying a high level of male‐male competition, but the relatively small canines in both sexes suggest that these teeth were not important in agonistic behaviors. The species inhabited a subtropical monsoon forest with a closed canopy and dense understory. Foraging was focused on the forest floor and its diet included a broad range of C3plants, including fruits, leaves and stems, and possibly tubers. The cheek teeth and jaws were adapted for processing a wide variety of bulky, fibrous, and abrasive food items, but the small incisors indicate that incisal preparation was not an important part of its feeding repertoire.
Isotope Probing of the UDP‐Apiose/UDP‐Xylose Synthase Reaction: Evidence of a Mechanism via a Coupled Oxidation and Aldol Cleavage
Authors: Eixelsberger Thomas , Horvat Doroteja , Gutmann Alexander , Weber Hansjörg , Nidetzky Bernd 
Published: January 2017

AbstractThe C‐branched sugar d‐apiose (Api) is essential for plant cell‐wall development. An enzyme‐catalyzed decarboxylation/pyranoside ring‐contraction reaction leads from UDP‐α‐d‐glucuronic acid (UDP‐GlcA) to the Api precursor UDP‐α‐d‐apiose (UDP‐Api). We examined the mechanism of UDP‐Api/UDP‐α‐d‐xylose synthase (UAXS) with site‐selectively 2H‐labeled and deoxygenated substrates. The analogue UDP‐2‐deoxy‐GlcA, which prevents C‐2/C‐3 aldol cleavage as the plausible initiating step of pyranoside‐to‐furanoside conversion, did not give the corresponding Api product. Kinetic isotope effects (KIEs) support an UAXS mechanism in which substrate oxidation by enzyme‐NAD+ and retro‐aldol sugar ring‐opening occur coupled in a single rate‐limiting step leading to decarboxylation. Rearrangement and ring‐contracting aldol addition in an open‐chain intermediate then give the UDP‐Api aldehyde, which is intercepted via reduction by enzyme‐NADH.
Orthogonal Surface Tags for Whole‐Cell Biocatalysis
Authors: Peschke Theo , Rabe Kersten S. , Niemeyer Christof M. 
Published: January 2017

AbstractWe herein describe the engineering of E. coli strains that display orthogonal tags for immobilization on their surface and overexpress a functional heterologous “protein content” in their cytosol at the same time. Using the outer membrane protein Lpp‐ompA, cell‐surface display of the streptavidin‐binding peptide, the SpyTag/SpyCatcher system, or a HaloTag variant allowed us to generate bacterial strains that can selectively bind to solid substrates, as demonstrated with magnetic microbeads. The simultaneous cytosolic expression of functional content was demonstrated for fluorescent proteins or stereoselective ketoreductase enzymes. The latter strains gave high selectivities for specific immobilization onto complementary surfaces and also in the whole‐cell stereospecific transformation of a prochiral CS‐symmetric nitrodiketone.
Palladium‐Catalyzed Ring‐Forming Aminoalkenylation of Alkenes with Aldehydes Initiated by Intramolecular Aminopalladation
Authors: Hu Yue , Xie Yinjun , Shen Zhiqiang , Huang Hanmin 
Published: January 2017

AbstractA palladium‐catalyzed aminopalladation reaction followed by nucleophilic addition with aldehydes and dehydration is described. This direct and operationally simple procedure provides a rapid and reliable approach to a wide range of functionalized tetrahydroisoquinolines with high selectivity. Mechanistic studies disclosed that the nucleophilic addition, performed via a highly ordered transition‐state, is the turnover‐limiting step in which the inherent β‐hydride elimination of the key Csp3−Pd species was controlled by the confined conformation and the nucleophilicity of the Csp3−Pd bond was enhanced by the strong electron‐donating effect of the nitrogen atom.
Synthesis and properties of novel water‐dispersible polyisocyanates
Authors: Guo Li , Wang Lei , Huang Shan , Qu Jinqing 
Published: January 2017

ABSTRACTA series of novel water‐dispersible polyisocyanates (WDPs) were synthesized with hexamethylene diisocyanate isoxyanurates (HDI trimer), dimethylol butanoic acid (DMBA), polyethylene glycol monomethyl ether (MPEG‐600) and 1,4‐cyclohexanedimethanol (CHDM) as materials. Two‐component waterborne polyurethane (2K‐WPU) films based on WDPs were prepared and characterized by ultraviolet‐visible spectrophotometer, thermogravimetric analyzer (TGA), scanning electron microscopy (SEM), and surface contact angle measurement. The effects of molar ratios of DMBA/MPEG and CHDM/MPEG and their amounts on properties of WDPs including the water dispersibility, storage stability, films hardness, and water resistance were also investigated. The results showed that the introduction of CHDM could efficiently improve the storage stability, the hardness and water resistance of 2K‐WPU films due to the rigid cyclic structure and hydrophobicity property of CHDM. It was found that WDPs had excellent storage stability, and the 2K‐WPU displayed short tack‐free times, high hardness, good water resistance, excellent surface appearance and gloss with 3:7:3 of the molar ratio of DMBA/MPEG/CHDM. © 2017 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2017, 134, 44735.
Defect minimization and feature control in electrospinning through design of experiments
Authors: Borrotti Matteo , Lanzarone Ettore , Manganini Fabio , Ortelli Simona , Pievatolo Antonio , Tonetti Cinzia 
Published: January 2017

ABSTRACTElectrospinning is affected by high variability, and an accurate setting of process parameters is fundamental for producing high quality nanofibers. This work aims at determining the optimal values of the main process parameters (polymer concentration, polymer feed rate, and voltage) as a function of the environmental factors (temperature and humidity), in order to obtain nanofibrous materials within a specific range of fiber diameter and porosity, and at the same time to minimize production defects. The response surfaces of diameter, porosity, and defects are first determined with a central composite design. These surfaces are then employed as an input for the optimization problem: diameter and porosity surfaces are used to constrain an admissible region, where the minimum of the defect surface is searched. The approach is tested on a prototype electrospinning machine. The estimated response surfaces capture the variability of the process with respect to both production parameters and environmental factors, and are capable of getting the optimal values of the process parameters. © 2017 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2017, 134, 44740.
Weighted Pseudo Anti‐Periodic Solutions for Cellular Neural Networks with Mixed Delays
Authors: Zhou Qiyuan 
Published: January 2017

AbstractA model of cellular neural networks with mixed delays is proposed. Applying contraction mapping fixed point theorem and differential inequality technique, several sufficient conditions are derived to ensure the existence and exponential stability of weighted pseudo anti‐periodic solutions for the proposed neural networks. Finally, a numerical simulation example is given to illustrate the effectiveness of the obtained results.
Pattern Recognition Based Dynamics Description of Production Processes in Metric Spaces
Authors: Wang Mushu , Xu Zhengguang , Guo Lingli 
Published: January 2017

AbstractA new type of modeling method is put forward based on pattern recognition (PR) technology for some industrial production processes. The proposed method is a pure data‐driven modeling method since the model is independent of the controlled plant, and it is based on the measured input and output (I/O) data of the controlled plant in a closed loop. Different from the traditional modeling method, the system dynamics is described by I/O classes, which are obtained from raw I/O data through partitioning of the data space respectively and I/O orders of the model resort to the conditional entropy. The covering algorithm based pattern classification (PC) is used to establish the mapping between input and output of the proposed model in metric spaces. The experimental results illustrate the feasibility of the modeling method.
Predictability of European winter 2015/2016
Authors: Scaife Adam A. , Comer Ruth , Dunstone Nick , Fereday David , Folland Chris , Good Elizabeth , Gordon Margaret , Hermanson Leon , Ineson Sarah , Karpechko Alexey , Knight Jeff , MacLachlan Craig , Maidens Anna , Peterson K. Andrew , Smith Doug , Slingo Julia , Walker Brent 
Published: January 2017

AbstractWe present a case study of long range forecasts for Northern Hemisphere winter 2015/2016. This winter produced the strongest El Niño event since 1997/1998 and equatorial Pacific sea surface temperature anomalies exceeded 3 °C. Other factors relevant to the Northern Hemisphere extratropical atmosphere circulation included a strong westerly phase of the Quasi‐Biennial Oscillation (QBO) and very strong winds in the stratospheric polar night jet in early winter. At the surface, intense cyclonic extratropical circulation anomalies occurred in early winter in both the North Pacific and North Atlantic, consistent with known teleconnections to these phases of El Niño–Southern Oscillation, the QBO and the polar night jet. The midlatitude flow was very westerly in early winter and less westerly and sometimes northerly in late winter, when sudden stratospheric warming events also occurred. We show that initialised climate predictions were able to capture the winter mean flow pattern at seasonal lead times from well before the start of winter. In this special case, not only the winter mean flow pattern, but also some aspects of the sub‐seasonal evolution were skilfully predicted. We show that the winter of 1982/1983 was closely analogous to winter 2015/2016 in both the predictable driving factors and the forecast winter circulation. This case study adds to the evidence that the north Atlantic circulation can be predictable on seasonal timescales and advance warning of the increased risk of intense rainfall and storminess which caused extreme flooding in the UK in December was possible in this case.
Real‐time pH monitoring of industrially relevant enzymatic reactions in a microfluidic side‐entry reactor (μSER) shows potential for pH control
Authors: Gruber Pia , Marques Marco P.C. , Sulzer Philipp , Wohlgemuth Roland , Mayr Torsten , Baganz Frank , Szita Nicolas 
Published: January 2017

AbstractMonitoring and control of pH is essential for the control of reaction conditions and reaction progress for any biocatalytic or biotechnological process. Microfluidic enzymatic reactors are increasingly proposed for process development, however typically lack instrumentation, such as pH monitoring. We present a microfluidic side‐entry reactor (μSER) and demonstrate for the first time real‐time pH monitoring of the progression of an enzymatic reaction in a microfluidic reactor as a first step towards achieving pH control. Two different types of optical pH sensors were integrated at several positions in the reactor channel which enabled pH monitoring between pH 3.5 and pH 8.5, thus a broader range than typically reported. The sensors withstood the thermal bonding temperatures typical of microfluidic device fabrication. Additionally, fluidic inputs along the reaction channel were implemented to adjust the pH of the reaction. Time‐course profiles of pH were recorded for a transketolase and a penicillin G acylase catalyzed reaction. Without pH adjustment, the former showed a pH increase of 1 pH unit and the latter a pH decrease of about 2.5 pH units. With pH adjustment, the pH drop of the penicillin G acylase catalyzed reaction was significantly attenuated, the reaction condition kept at a pH suitable for the operation of the enzyme, and the product yield increased. This contribution represents a further step towards fully instrumented and controlled microfluidic reactors for biocatalytic process development.
A Peroxygenase from Chaetomium globosum Catalyzes the Selective Oxygenation of Testosterone
Authors: Kiebist Jan , Schmidtke Kai‐Uwe , Zimmermann Jörg , Kellner Harald , Jehmlich Nico , Ullrich René , Zänder Daniel , Hofrichter Martin , Scheibner Katrin 
Published: January 2017

AbstractUnspecific peroxygenases (UPO, EC 1.11.2.1) secreted by fungi open an efficient way to selectively oxyfunctionalize diverse organic substrates, including less‐activated hydrocarbons, by transferring peroxide‐borne oxygen. We investigated a cell‐free approach to incorporate epoxy and hydroxyl functionalities directly into the bulky molecule testosterone by a novel unspecific peroxygenase (UPO) that is produced by the ascomycetous fungus Chaetomium globosum in a complex medium rich in carbon and nitrogen. Purification by fast protein liquid chromatography revealed two enzyme fractions with the same molecular mass (36 kDa) and with specific activity of 4.4 to 12 U mg−1. Although the well‐known UPOs of Agrocybe aegerita (AaeUPO) and Marasmius rotula (MroUPO) failed to convert testosterone in a comparative study, the UPO of C. globosum (CglUPO) accepted testosterone as substrate and converted it with total turnover number (TTN) of up to 7000 into two oxygenated products: the 4,5‐epoxide of testosterone in β‐configuration and 16α‐hydroxytestosterone. The reaction performed on a 100 mg scale resulted in the formation of about 90 % of the epoxide and 10 % of the hydroxylation product, both of which could be isolated with purities above 96 %. Thus, CglUPO is a promising biocatalyst for the oxyfunctionalization of bulky steroids and it will be a useful tool for the synthesis of pharmaceutically relevant steroidal molecules.
Aluminum Location and Acid Strength in an Aluminum‐Rich Beta Zeolite Catalyst: A Combined Density Functional Theory and Solid‐State NMR Study
Authors: Li Shikun , Zhao Zhenchao , Zhao Rongrong , Zhou Danhong , Zhang Weiping 
Published: January 2017

AbstractDensity functional theory was performed to investigate the specific Al distribution and the origination of Brönsted acid strength in the Al‐rich Beta zeolite catalyst. The most preferable sites for Al atoms of Al‐rich and Si‐rich Beta zeolites represented by 1Al and 2Al atoms are compared by electrostatic potential analysis and substitution energies. IT1 and T9 sites are the most favorable locations for 1Al distribution, while 5MR1‐T92, 5MR2‐T15 and 6MR1‐T66 sites are inclined to be occupied by Al atoms for 2Al distribution. Al atoms in 5MR1‐T17 sites would be dealuminated more easily to become the extra‐framework Al species when Al‐rich Na‐Beta is ion‐exchanged to H‐Beta. As for NNNN sequences in Al‐rich Beta, 6MR1‐T66 sites are the most easily substituted by Al atoms, facing different channels and showing the properties of isolated Al site. Proton affinities, NH3 adsorption energies and 1H chemical shifts of [D5]pyridine adsorbed in Beta zeolites were used to analyze the Brönsted acidity. Si‐rich Beta has stronger Brönsted acid strength than the Al‐rich counterpart. This agrees with the experimental results from 1H MAS NMR with [D5]pyridine as probe molecule. The Brönsted acid strength of Al‐rich and Si‐rich H‐Beta zeolites was correlated to the Al location at the specific T‐site on the zeolitic framework.
Silicone‐Based Organic–Inorganic Hybrid Aerogels and Xerogels
Authors: Shimizu Taiyo , Kanamori Kazuyoshi , Nakanishi Kazuki 
Published: January 2017

AbstractAerogels are attracting increasing attention due to their high thermal insulation ability as well as unique properties such as high porosity, surface area, and transparency. However, low mechanical strengths, originating from their unique porous structure, impede handling, formability, mass production, and extended applications. This minireview focuses on the strengthening of aerogels by several organic–inorganic hybridization strategies. In particular, successful strengthening methodologies, which employ organo‐substituted alkoxysilanes as the single precursor for the sol–gel preparations, developed by the authors are highlighted. Moreover, improvements in compressive strength and elasticity lead to monolithic aerogel‐like xerogels through ambient pressure drying. Correlations between structures in different length scales (e.g., molecular, network, and pore structure levels) and resultant mechanical properties are discussed for further understandings and better design toward mechanically improved aerogels/xerogels and their applications.
Guanine Can Direct Binding Specificity of Ru–dipyridophenazine (dppz) Complexes to DNA through Steric Effects
Authors: Hall James P. , Gurung Sarah P. , Henle Jessica , Poidl Patrick , Andersson Johanna , Lincoln Per , Winter Graeme , Sorensen Thomas , Cardin David J. , Brazier John A. , Cardin Christine J. 
Published: January 2017

AbstractX‐ray crystal structures of three Λ‐[Ru(L)2dppz]2+ complexes (dppz=dipyridophenazine; L=1,10‐phenanthroline (phen), 2,2′‐bipyridine (bpy)) bound to d((5BrC)GGC/GCCG) showed the compounds intercalated at a 5′‐CG‐3′ step. The compounds bind through canted intercalation, with the binding angle determined by the guanine NH2 group, in contrast to symmetrical intercalation previously observed at 5′‐TA‐3′ sites. This result suggests that canted intercalation is preferred at 5′‐CG‐3′ sites even though the site itself is symmetrical, and we hypothesise that symmetrical intercalation in a 5′‐CG‐3′ step could give rise to a longer luminescence lifetime than canted intercalation.
Cationic AuIII versus AuI: Catalyst‐Controlled Divergent Reactivity of Alkyne‐Tethered Lactams
Authors: Alcaide Benito , Almendros Pedro , Cembellín Sara , Fernández Israel , Martínez del Campo Teresa 
Published: January 2017

AbstractSwitchable reactivity through cationic gold‐based catalyst control built on the oxidation state, namely cationic AuIII versus AuI, has been achieved in the direct functionalization of 2‐azetidinone‐tethered alkynyl indoles.
Clinical trial of nintedanib in patients with recurrent or metastatic salivary gland cancer of the head and neck: A multicenter phase 2 study (Korean Cancer Study Group HN14‐01)
Authors: Kim Youjin , Lee Su Jin , Lee Ji Yun , Lee Se‐Hoon , Sun Jong‐Mu , Park Keunchil , An Ho Jung , Cho Jae Yong , Kang Eun Joo , Lee Ha‐Young , Kim Jinsoo , Keam Bhumsuk , Kim Hye Ryun , Lee Kyoung Eun , Choi Moon Young , Lee Ki Hyeong , Ahn Myung‐Ju 
Published: January 2017

BACKGROUNDSalivary gland cancers (SGCs) are uncommon and account for less than 5% of all head and neck cancers, but they are histologically heterogeneous. No specific therapy, including targeted agents, has consistently improved clinical outcomes in recurrent/metastatic SGC. Recent studies suggest that vascular endothelial growth factor receptor (VEGFR) and platelet‐derived growth factor receptor (PDGFR) play important roles in SGC. Nintedanib is a potent small‐molecule, triple‐receptor tyrosine kinase inhibitor (VEGFR1, VEGFR2, and VEGFR3; fibroblast growth factor receptor 1 [FGFR1], FGFR2, and FGFR3; and PDGFRα and PDGFRß). This study sought to determine the antitumor activity of nintedanib in patients with recurrent or metastatic SGC.METHODSThis open‐label, multicenter, phase 2, single‐arm study was conducted at 11 hospitals in South Korea. Patients with pathologically confirmed recurrent and/or metastatic SGC for whom at least 1 line of systemic chemotherapy had failed were enrolled. Nintedanib was given orally at 200 mg twice a day until disease progression or unacceptable toxicity. The primary endpoint was the response rate. The secondary endpoints were progression‐free survival, overall survival, toxicity, and the disease‐control rate. The Simon 2‐stage minimax design was used.RESULTSThe median age of the patients was 54 years, 60% were female, and 95% had an Eastern Cooperative Oncology Group performance status of 0 or 1. The majority of the patients had adenoid cystic carcinoma (65%), and 40% received at least 2 prior rounds of chemotherapy. After 20 patients were enrolled, the study was stopped because no responders were observed at stage I. There were no partial responses, but the disease‐control rate was 75% (15 of 20). The median duration of stable disease was 8.2 months (range, 1.76‐12.36 months). At the time of the data cutoff, with a median follow‐up of 9.5 months, the median overall survival had not been reached, and the progression‐free survival rate at 6 months was 60% (95% confidence interval, 0.34‐0.79). Grade 3 adverse events included liver enzyme elevation (25%) and nausea/vomiting (5%). Four patients who required a dose reduction because of a grade 3 liver enzyme elevation showed no further grade 3 events.CONCLUSIONSSingle‐agent nintedanib did not yield a partial response but did achieve a 75% disease‐control rate with long‐term stabilization in SGC patients. Because of the high rate and long duration of disease control with a good safety profile, further investigation is warranted. Cancer 2017;123:1958–1964. © 2017 American Cancer Society.