bluuebunny/crossref_metadata_2025_split huggingface dataset:
Chiral Lithium Amido Aryl Zincates: Simple and Efficient Chemo‐ and Enantio‐Selective Aryl Transfer Reagents
Authors: Chaumont‐Olive Pauline , Rouen Mathieu , Barozzino‐Consiglio Gabriella , Ben Abdeladhim Amel , Maddaluno Jacques , Harrison‐Marchand Anne 
Published: January 2019

AbstractAn enantioselective aryl transfer is promoted using chiral tricoordinated lithium amido aryl zincates that are easily accessible reagents and whose chiral appendage is simply recovered for reuse. The arylation reaction is run in good yields (60 % average on twenty substrates) and high enantiomeric excesses (95 % ee average). This occurs whatever the ortho, meta, or para substituent borne by the substrate and a complete chemoselectivity is observed with respect to the aldehyde function. Sensitive groups such as nitriles, esters, ketones, and enolisable substrates resist to the action of the ate reagent, warranting a large scope to this methodology.
Rivalry under Pressure: The Coexistence of Ambient‐Pressure Motifs and Close‐Packing in Silicon Phosphorus Nitride Imide SiP2N4NH
Authors: Vogel Sebastian , Buda Amalina T. , Schnick Wolfgang 
Published: January 2019

AbstractNon‐metal nitrides such as BN, Si3N4, and P3N5 meet numerous demands on high‐performance materials, and their high‐pressure polymorphs exhibit outstanding mechanical properties. Herein, we present the silicon phosphorus nitride imide SiP2N4NH featuring sixfold coordinated Si. Using the multi‐anvil technique, SiP2N4NH was obtained by high‐pressure high‐temperature synthesis at 8 GPa and 1100 °C with in situ formed HCl acting as a mineralizer. Its structure was elucidated by a combination of single‐crystal X‐ray diffraction and solid‐state NMR measurements. Moreover, SiP2N4NH was characterized by energy‐dispersive X‐ray spectroscopy and (temperature‐dependent) powder X‐ray diffraction. The highly condensed Si/P/N framework features PN4 tetrahedra as well as the rare motif of SiN6 octahedra, and is discussed in the context of ambient‐pressure motifs competing with close‐packing of nitride anions, representing a missing link in the high‐pressure chemistry of non‐metal nitrides.
Efficient Pictet–Spengler Bioconjugation with N‐Substituted Pyrrolyl Alanine Derivatives
Authors: Pomplun Sebastian , Mohamed Mohamed Y. H. , Oelschlaegel Tobias , Wellner Christian , Bergmann Frank 
Published: January 2019

AbstractWe discovered N‐pyrrolyl alanine derivatives as efficient reagents for the fast and selective Pictet–Spengler reaction with aldehyde‐containing biomolecules. Other aldehyde‐labeling methods described so far have several drawbacks, like hydrolytic instability, slow reaction kinetics or not readily available labeling reagents. Pictet–Spengler cyclizations of pyrrolyl 2‐ethylamine substituted at the pyrrole nitrogen are significantly faster than with analogues substituted at the α‐ and β‐ position. Functionalized N‐pyrrolyl alanine derivatives can be synthesized in only 2–3 steps from commercially available materials. The small size of the reagent, the high reaction rate, and the easy synthesis make pyrrolyl alanine Pictet–Spengler (PAPS) an attractive choice for bioconjugation reactions. PAPS was shown as an efficient strategy for the site‐selective biotinylation of an antibody as well as for the condensation of nucleic‐acid derivatives, demonstrating the versatility of this reagent.
Physicomechanical and antimicrobial characteristics of hydrogel based on poly(vinyl alcohol): Performance improvement via inclusion of chitosan‐modified nanoclay
Authors: Entezam Mehdi , Ehghaghiyan Ashkan , Sedeh Negar Naghdi , Jafari Seyed Hassan , Khonakdar Hossein Ali 
Published: January 2019

ABSTRACTThe effect of a chitosan‐modified nanoclay (CMNC) on the physical, mechanical, and antimicrobial properties of poly(vinyl alcohol) (PVA) hydrogels prepared by the electron beam irradiation method is reported in comparison with pristine nanoclay (PNC). The X‐ray diffraction (XRD) results confirm that the chitosan modification process of nanoclay led to an enhancement in the clay gallery spacing. The inclusion of nanoclays in the PVA matrix decreased the gel content while it increased the swelling degree of the hydrogels. Both PNC and CMNC played a role, depending on their amounts, in swelling of the hydrogel. The swelling kinetic studies revealed a diffusion‐controlled swelling process. The diffusion coefficient of water molecules in hydrogels was decreased in the presence of PNC, while it increased with CMNC. Rheological investigations verified the influential role of nanoclays in decreasing the chemical crosslink density of the hydrogel. CMNC exhibited a higher reinforcing effect on hydrogel mechanical properties than PNC did, although the rheological analysis, in agreement with the XRD results, indicated a better dispersion of PNC in the PVA matrix. According to the antimicrobial tests, perfect inhibition of bacteria growth was obtained only for the hydrogels with CMNC. © 2019 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2019, 136, 47444.
Pretreatment lymphocytopenia is an adverse prognostic biomarker in advanced‐stage ovarian cancer
Authors: Lee Yong Jae , Chung Young Shin , Lee Jung‐Yun , Nam Eun Ji , Kim Sang Wun , Kim Sunghoon , Kim Young Tae 
Published: January 2019

AbstractThe aim of this study was to investigate the prognostic significance of lymphocytopenia in advanced‐stage ovarian cancer. We retrospectively reviewed 506 patients with advanced‐stage ovarian cancer at Yonsei Cancer Hospital. This study included two cohorts of patients: a neoadjuvant chemotherapy (NAC) group (N = 247) and a primary debulking surgery (PDS) group (N = 259). The absolute lymphocyte count was recorded before treatment. A receiver operating characteristic (ROC) curve analysis was used to determine the cutoff for defining lymphocytopenia in the NAC cohort and followed by multivariate analysis. Subsequently, lymphocytopenia was assessed in the PDS cohort by multivariate analysis. A further analysis was performed to evaluate the absolute lymphocyte count as a continuous variable. An absolute lymphocyte count of 1.49 × 109/L was determined as the cutoff for the ROC curve analysis in the NAC cohort, and the multivariate analysis revealed that lymphocytopenia was an independent prognostic factor for poor progression‐free survival (PFS) [hazard ratio (HR), 1.50; 95% confidence interval (CI), 1.07‐2.11] and overall survival (OS) (HR, 2.02; 95% CI, 1.21‐3.40). In the PDS cohort, the multivariate analysis showed that lymphocytopenia was an independent prognostic factor for poor PFS (HR, 1.73; 95% CI, 1.20‐2.49) and OS (HR, 1.87; 95% CI, 1.27‐2.75). The absolute lymphocyte count was a significant factor when analyzed as a continuous variable in both the NAC and PDS cohorts. Pretreatment lymphocytopenia is an independent adverse prognostic factor in patients with advanced‐stage ovarian cancer.
Na3V2(PO4)3/N‐doped Carbon Nanocomposites with Sandwich Structure for Cheap, Ultrahigh‐Rate, and Long‐Life Sodium‐Ion Batteries
Authors: Yang Wenhao , He Wen , Zhang Xudong , Yang Guihua , Ma Jingyun , Wang Yaoyao , Wang Chunlian 
Published: January 2019

AbstractA new nanocomposite composed of ultrathin Na3V2(PO4)3/N‐doped carbon sheets with stable sandwich structure is reported. The material is synthesized using laminar vanadium metal‐organic frameworks (V‐MOFs) as the precursor and multifunction sodium lignosulfonate (SLS) as the organic ligand for the V‐MOFs and the carbon source. The synthetic mechanism and the influence of the SLS and Na contents on the electrochemical properties are investigated, and the Na‐ion insertion/extraction mechanism in the sandwich framework structure is established. The nanocomposite with the molar ratio: V2O5/SLS/Na2CO3=2 : 1.5 : 1.7, used as a cathode material for sodium‐ion batteries, not only exhibits the best discharge capacity (117.3 mA h g−1 at the 0.1 C rate), but also ultra‐high rate performances (82 mAh g−1 at 100 C, 78 mAh g−1 at 200 C and 54 mAh g−1 at 250 C) and a long cycling life (retains 40 mAh g−1 at 200 C over 6000 cycles) because of its unique nanostructure.
High Ion Conducting Solid Composite Electrolytes with Enhanced Interfacial Compatibility for Lithium Metal Batteries
Authors: Feng Haoyu , Ma Cheng , Dai Kuan , Kuang Guichao , Ivey Douglas G. , Wei Weifeng 
Published: January 2019

AbstractThe utilization of lithium metal anodes is crucial for further advancement of the energy density of lithium batteries. Solid electrolytes with high ionic conductivity at ambient temperature and good mechanical strength are key to realizing the large‐scale application of solid‐state lithium‐metal batteries. In particular, the formation of a homogeneous and stable solid‐electrolyte interphase is crucial for improving the safety and coulombic efficiency of lithium‐metal batteries. Herein, a solid composite electrolyte design based on a cyclic carbonate‐cyclic ether copolymer is exploited. The cyclic carbonate segments in the solid composite electrolyte provide high mechanical integrity, whereas the cyclic ether groups promote the dissociation of lithium salts and the formation of a stable solid‐electrolyte interphase. Thus, the solid composite electrolyte exhibits a high ionic conductivity of 1.58×10−4 S cm−1 and a high lithium transference number of 0.55 at room temperature. Furthermore, optimization of the solid‐electrolyte interphase composition and the inhibition of lithium dendrites are demonstrated. Most importantly, excellent rate capability and cycling stability at room temperature and below (10 °C) are achieved in solid‐state lithium‐metal batteries with the solid composite electrolyte.
Chiral separation of aliphatic primary amino alcohols as o‐phthaldialdehyde/mercaptoethanol derivatives on polysaccharide‐based chiral stationary phases
Authors: Douša Michal 
Published: January 2019

AbstractA sensitive chiral high performance liquid chromatography (HPLC) method for the determination of aliphatic primary amino alcohol isomers with o‐phthaldialdehyde/mercaptoethanol precolumn derivatization has been developed and validated. Seven chiral columns were tested in a reversed phase mode. Excellent enantioseparation with the resolution more than 2.0 was achieved on Chiralcel OJ‐3R. The effect of various chromatographic conditions including column temperature, acetonitrile content in the mobile phase, buffer pH, buffer concentration, and buffer type in the mobile phase on the retention and the selectivity was investigated. The final mobile phase consisted of binary mixture of 20mM ammonium formate solution with acetonitrile (75:25; v/v). The analyses were performed at mobile phase flow rate of 1.0 mL/min and the column temperature of 40°C. The fluorescence detection was performed at excitation wavelength of 345 nm and emission wavelength of 450 nm. The developed method was fully validated in terms of linearity, sensitivity, accuracy, precision, intermediate precision, and selectivity according to International Council for Harmonisation of Technical Requirements for Pharmaceuticals for Human Use guidelines using internal normalization procedure. The proposed chiral method was proved to be highly sensitive, simple, and rapid and was successfully applied to the determination of D‐Valinol content in commercially available samples of L‐Valinol.
ENPRO Data Integration: Extending DEXPI Towards the Asset Lifecycle
Authors: Wiedau Michael , von Wedel Lars , Temmen Heiner , Welke Richard , Papakonstantinou Nikolaos 
Published: January 2019

AbstractChemical plants are engineered to yield high output, while also complying to regulations. In initial R&D phases, experts gather large amounts of information to ensure an optimal design. Here, the influence of the optimization of the process on planning and operation of the plant is important. However, during operation of the facility, little of the information required for R&D work is available in electronic and interoperable form. It is described how this challenge can be overcome by a systematic data integration approach using international standards, centered around the DEXPI working group.
Identification of the Binding Site of Apical Membrane Antigen 1 (AMA1) Inhibitors Using a Paramagnetic Probe
Authors: Akter Mansura , Drinkwater Nyssa , Devine Shane M. , Drew Simon C. , Krishnarjuna Bankala , Debono Cael O. , Wang Geqing , Scanlon Martin J. , Scammells Peter J. , McGowan Sheena , MacRaild Christopher A. , Norton Raymond S. 
Published: January 2019

AbstractApical membrane antigen 1 (AMA1) is essential for the invasion of host cells by malaria parasites. Several small‐molecule ligands have been shown to bind to a conserved hydrophobic cleft in Plasmodium falciparum AMA1. However, a lack of detailed structural information on the binding pose of these molecules has hindered their further optimisation as inhibitors. We have developed a spin‐labelled peptide based on RON2, the native binding partner of AMA1, to probe the binding sites of compounds on PfAMA1. The crystal structure of this peptide bound to PfAMA1 shows that it binds at one end of the hydrophobic groove, leaving much of the binding site unoccupied and allowing fragment hits to bind without interference. In paramagnetic relaxation enhancement (PRE)‐based NMR screening, the 1H relaxation rates of compounds binding close to the probe were enhanced. Compounds experienced different degrees of PRE as a result of their different orientations relative to the spin label while bound to AMA1. Thus, PRE‐derived distance constraints can be used to identify binding sites and guide further hit optimisation.
Scaling deep learning without increasing batchsize
Authors: Heye Alexander 
Published: January 2019

SummaryDeep learning has proven itself to be a difficult problem in the HPC space. Although the algorithm can scale very efficiently with a sufficiently large batchsize, the efficacy of training tends to decrease as the batchsize grows. Scaling the training of a single model may be effective in narrow fields such as image classification, but more generalizable options can be achieved when considering alternate methods of parallelism and the larger workflow surrounding neural network training. Hyperparameter optimization, data set segmentation, hierarchical fine tuning, and model parallelism can all provide significant scaling capacity without increasing batchsize and can be paired with a traditional, single‐model scaling approach for a multiplicative scaling improvement. This paper intends to further define and examine these scaling techniques in how they perform individually and how combining them can provide significant improvements in overall training times.
A scalable and secure RFID mutual authentication protocol using ECC for Internet of Things
Authors: Naeem Muhammad , Chaudhry Shehzad Ashraf , Mahmood Khalid , Karuppiah Marimuthu , Kumari Saru 
Published: January 2019

SummaryVery recently, Alamr et al (J. Supercomput 1‐14 doi: 10.1007/s11227‐016‐1861‐1) presented a radio frequency identifier (RFID) authentication protocol for the Internet of Things (IoT) through elliptic curve cryptography (ECC). They claimed the protocol to achieve several security properties and thwart all known attacks. However, this paper shows that their scheme is having correctness and scalability issues. The reader in their protocol can accommodate only one tag, which is not desirable in the IoT environments. The paper finally suggests an improvement to cater the correctness and scalability issues.
Functional responses in habitat selection: clarifying hypotheses and interpretations
Authors: Holbrook Joseph D. , Olson Lucretia E. , DeCesare Nicholas J. , Hebblewhite Mark , Squires John R. , Steenweg Robin 
Published: January 2019

AbstractA fundamental challenge in habitat ecology and management is understanding the mechanisms generating animal distributions. Studies of habitat selection provide a lens into such mechanisms, but are often limited by unrealistic assumptions. For example, most studies assume that habitat selection is constant with respect to the availability of resources, such that habitat use remains proportional to availability. To the contrary, a growing body of work has shown the fallacy of this assumption, indicating that animals modify their behavior depending on the context at broader scales. This has been termed a functional response in habitat selection. Furthermore, a diversity of methods is employed to model functional responses in habitat selection, with little attention to how methodology might affect scientific and conservation conclusions. Here, we first review the conceptual and statistical foundations of methods currently used to model functional responses and clarify the ecological tests evaluated within each approach. We then use a combination of simulated and empirical data sets to evaluate the similarities and differences among approaches. Importantly, we identified multiple statistical issues with the most widely applied approaches to understand functional responses, including: (1) a complex and important role of random‐ or individual‐level intercepts in adjusting individual‐level regression coefficients as resource availability changes and (2) a sensitivity of results to poorly informed individual‐level coefficients estimated for animals with low availability of a given resource. Consequently, we provide guidance on applying approaches that are insensitive to these issues with the goal of advancing our understanding of animal habitat ecology and management. Finally, we characterize the management implications of assuming similarity between the current approaches to model functional responses with two empirical data sets of federally threatened species: Canada lynx (Lynx canadensis) in the United States and woodland caribou (Rangifer tarandus caribou) in Canada. Collectively, our assessment helps clarify the similarities and differences among current approaches and, therefore, assists the integration of functional responses into the mainstream of habitat ecology and management.
Blunted emotion‐modulated startle reflex in anorexia nervosa
Authors: Brockmeyer Timo , Pellegrino Judith , Maier Christoph , Münch Hannah M. , Harmer Catherine J. , Walther Stephan , Herzog Wolfgang , Friederich Hans‐Christoph 
Published: January 2019

AbstractObjectivePatients with anorexia nervosa (AN) often show difficulties in the perception, expression, and regulation of emotions and a strong avoidance of aversive feelings. According to psychobiological models, dietary restraint and accompanying weight loss may serve as a maladaptive mechanism of emotion regulation by attenuating aversive emotional states in AN, thereby contributing to the maintenance of the disorder.MethodTwenty‐seven women with AN and 26 age‐matched healthy women were shown short film‐clips to elicit fear, sadness, amusement, and neutral emotional states. Eyeblink startle response was measured by electromyography in reaction to startle‐eliciting acoustic stimuli presented 12 times binaurally during each film‐clip.ResultsAs compared to healthy controls, patients with AN showed a blunted startle response to the fear‐ but not to the sadness‐eliciting stimulus.DiscussionThe findings support the assumption that underweight is associated with attenuated emotional reactivity to fear‐eliciting material in AN. This is in line with the hypothesis that starvation and low body weight constitute a maladaptive mechanism of emotion regulation in AN, contributing to the maintenance of the disorder.
A Novel Aqueous Extraction for Camellia Oil by Emulsified Oil: A Frozen/Thawed Method
Authors: Yang Jian‐Yuan , Li Jing , Wang Mei , Zou Xian‐Guo , Peng Bin , Yin Yu‐Long , Deng Ze‐Yuan 
Published: January 2019

Emulsion is inevitable during the aqueous extraction of oil from oilseeds. In this study, a new aqueous extraction method for camellia oil is investigated. During the extraction, the emulsified oil is collected, frozen, and thawed, and the free oil is obtained (AEEF). The optimal processing conditions are as follows: three times as much water as camellia seed powder (w/w), grinding at 70 °C for 6 min, repeating 2 cycles to collect the emulsified oil; then the emulsified oil is frozen (−20 °C) /thawed (50 °C) for 2 cycles. The yield of camellia oil is 89.37 ± 0.51%, which is significantly higher (p < 0.05) than that of microwave‐assisted aqueous enzymatic extraction (MAAEE, 83.05 ± 1.14%), and is similar to that of cold press extraction (CPE, 90.85 ± 2.05%), as well as solvent extraction (SE) coupled with refining. Additionally, the total oxidation value (TOTOX) of the free oil extracted by using AEEF (AEEF‐Oil, 6.82 ± 0.12%) is significantly lower (p < 0.05) than those of MAAEE, CEP, or SE. In comparison to SE‐Oil and CEP‐Oil, AEEF‐Oil has higher (p < 0.05) contents of α‐tocopherol and squalene, and lower (p < 0.05) benzo(a)pyrene contents, and contains more favorable natural volatile compounds. The results indicate that the novel AEEF may be a promising aqueous extraction method.Practical Application: The novel aqueous extraction method for camellia oil by emulsified oil – frozen/thawed has acceptable oil yields. The obtained camellia oil has high levels of bioactive components, low contents of hazardous substances, and more characteristic volatile flavor compounds. AEEF is an improved aqueous extraction technology for edible oil without refining and using n‐hexane, which could be potentially applied in industrial production of camellia oil due to its safety, nutrition, and environment‐friendly treatments.Aqueous extraction is a promising technique for edible oil extraction from oilseeds. The novel technology of aqueous extraction for camellia oil through emulsified oil – frozen/thawed (AEEF) is investigated. In comparison to solvent extraction, cold press extraction, and microwave‐assisted aqueous enzymatic extraction of camellia oil, the obtained camellia oil by AEEF has an acceptable oil yield, high quality, and nutritional value. AEEF is a safe, simple and environmental‐friendly aqueous extraction technology.
Late Triassic high‐Mg diorites and associated mafic dikes from the southern Zhangguangcai Range (NE China): Melting of juvenile arc crust and subarc mantle lithosphere
Authors: Li Yong‐Fei , Qin Jiang‐Feng , Lai Shao‐Cong , Sun Shou‐Liang , Zhang Ze‐Zhong , Gao Xiao‐Yong , Ju Yin‐Juan , Zhang Tao , Wang Xing‐Ying 
Published: January 2019

The Lesser Xing'an–Zhangguangcai Range is located in the eastern part of the Central Asian Orogenic Belt (CAOB). Early Mesozoic igneous rocks in this area can place constraints on the crustal growth mechanism in the Northeastern China. This paper reports a suite of Late Triassic high‐Mg diorites and mafic dikes from the southern Lesser Xing'an–Zhangguangcai Range. The mafic dikes have younger zircon U–Pb ages of 195 ± 2 Ma. They display intermediate SiO2 (50.58% to 58.20%) and high Na2O/K2O ratios of 1.90 to 3.20, low A/CNK ratios of 0.75 to 0.84, low (87Sr/86Sr)i ratios of 0.7045 to 0.7046, and high εNd(t) values of +3.1 to +3.5. Most zircons in the mafic dikes exhibit positive εHf(t) values from +8.6 to +16.0, with single‐stage Hf model ages ranging from 0.2 to 0.5 Ga in combination with their enrichment in LREE and LILEs and depletion in HFSEs. They are considered to be formed by melting of metasomatized subarc lithosphere mantle. The diorite and quartz diorite have older zircon U–Pb ages of 200 ± 3 and 202 ± 2 Ma, respectively. They have SiO2 = 54.45% to 61.18%, Al2O3 = 17.16% to 19.10%, TiO2 = 0.74% to 1.13%, and Mg# = 46.6 to 49.5, and they also display moderately depleted Sr–Nd (εNd(t) = +2.3 to +4.3) and zircon Lu–Hf (εHf(t) = +8.6 to +16.0) isotopic compositions. These features suggest that they were formed by melting of juvenile arc crust in active continental margin. Considering the occurrence of the contemporaneous and latter igneous rocks in the Zhangguangcai Range, we argue that the diorite, quartz diorite, and mafic dikes from the Lengshan area were also related to the westward subduction of Palaeo‐Pacific Plate (Izanagi Plate) beneath the Eurasian Plate. The strike‐like fault along the eastern margin of the Songneng–Zhuangguangcai Block may play an important role in the genesis of diorite melt.