bluuebunny/crossref_metadata_2025_split huggingface dataset:
Readily Accessible and Highly Efficient Ferrocene‐Based Amino‐Phosphine‐Alcohol (f‐Amphol) Ligands for Iridium‐Catalyzed Asymmetric Hydrogenation of Simple Ketones
Authors: Yu Jianfei , Duan Meng , Wu Weilong , Qi Xiaotian , Xue Peng , Lan Yu , Dong Xiu‐Qin , Zhang Xumu 
Published: November 2016

AbstractWe have successfully developed a series of novel and modular ferrorence‐based amino‐phosphine‐alcohol (f‐Amphol) ligands, and applied them to iridium‐catalyzed asymmetric hydrogenation of various simple ketones to afford the corresponding chiral alcohols with excellent enantioselectivities and conversions (98–99.9 % ee, >99 % conversion, turnover number up to 200 000). Control experiments and density functional theory (DFT) calculations have shown that the hydroxyl group of our f‐Amphol ligands played a key role in this asymmetric hydrogenation.
Diffusionsschweißen von Metallschäumen zur Anwendung in Latentwärmespeichern für fahrzeuggerechte Thermoelektrische Generatoren
Authors: Klein Altstedde Mirko , Gietzelt Thomas , Martin Tim , Toth Volker , Jemmali Raouf 
Published: November 2016

AbstractThermoelektrische Generatoren ermöglichen die Nutzung von Abgaswärme von Verbrennungsmotoren durch direkte Wandlung in elektrische Energie. An die Langzeitbeständigkeit der verwendeten Werkstoffe und Konstruktionen werden hohe Anforderungen gestellt und das wechselnde Wärmeangebot muss über geeignete Maßnahmen vereinheitlicht werden, bpsw. durch latente Wärmespeichermaterialien. Ein System zur Aufnahme dieses Speichermaterials, für das offenporige Metallschäume unterschiedlicher Porenweite aus austenitischem Edelstahl als Stützstrukturen mittels Diffusionsschweißen mit Gehäusestrukturen gefügt wurden, wird vorgestellt.
Nutrient release characteristics and coating homogeneity of biopolymer coated urea as a function of fluidized bed process variables
Authors: Azeem Babar , KuShaari KuZilati , Man Zakaria , Trinh Thanh H. 
Published: November 2016

AbstractThe present study investigates the effect of fluid‐bed process parameters on the diffusion coefficient of nitrogen release and coating homogeneity of controlled‐release urea (CRU) produced in a rotary fluidized bed using polyvinyl‐alcohol‐modified starch as a coating material. An existing mathematical model was used to estimate the diffusion coefficient. The coefficient of variance of size distribution and coating mass variation are reported as a measure of coating homogeneity.Statistical analysis suggested that the most influential process variables that govern urea release characteristics and coating homogeneity were (a) fluidizing gas temperature and (b) coating time. A moderate spray rate combined with longer coating time yielded the lowest diffusion coefficient for nutrient release. Elutriation as the result of elevated fluidizing gas temperature allowed a higher diffusion coefficient due to lower coating thickness. Burst release patterns were observed for granules with coating imperfections. The augmented temperature of fluidizing gas had a negative effect on coating mass and size distribution of CRU granules but the influence of longer coating time was positive.
Modelling of dynamic mass transfer in a vapour extraction heavy oil recovery process
Authors: Wang Qiong , Jia Xinfeng , Chen Zhangxin 
Published: November 2016

ABSTRACTViscosity reduction through solvent dissolution into heavy oil is one of the most important recovery mechanisms of a vapour extraction (VAPEX) process. Existing analytical models can neither accurately describe the mass transfer between solvent vapour and heavy oil nor predict the solvent chamber evolution. Simulation models are confounded by numerical dispersion and have difficulty in accurately characterizing fluid properties in VAPEX. This study first develops a mass transfer model to describe a dynamic heavy oil‐solvent mixing process. This model is then incorporated into a VAPEX model to estimate solvent chamber development and an oil production rate. Diffusivity is determined through history matching theoretically calculated and experimentally measured cumulative oil production data. It is found that both constant and variable diffusivities can achieve an excellent match in cumulative oil production data. However, their respective characterization of the fluid properties in the VAPEX transition zone is very different. This study also proposes a method to convert constant diffusivity into its equivalent variable diffusivity for VAPEX by using some regressed correlations. Moreover, the back‐calculated effective diffusivity is found to be about 10–30 times of the corresponding molecular diffusivity measured in the laboratory.
Quantitative MALDI‐MS Binding Assays: An Alternative to Radiolabeling
Authors: Rossato Maxime , Miralles Guillaume , M'Kadmi Céline , Maingot Mathieu , Amblard Muriel , Mouillac Bernard , Gagne Didier , Martinez Jean , Subra Gilles , Enjalbal Christine , Cantel Sonia 
Published: November 2016

AbstractRadiolabeling of ligands is still the gold standard in the study of high‐affinity receptor–ligand interactions. In an effort toward safer and simpler alternatives to the use of radioisotopes, we developed a quantitative and highly sensitive matrix‐assisted laser desorption ionization mass spectrometry (MALDI‐MS) method that relies on the use of chemically tagged ligands designed to be specifically detectable when present as traces in complex biological mixtures such as cellular lysates. This innovative technology allows easy, sensitive detection and accurate quantification of analytes at the sub‐nanomolar level. After statistical validation, we were able to perform pharmacological evaluations of G protein‐coupled receptor (V1A‐R)–ligand interactions. Both saturation and competitive binding assays were successfully processed.
Design and Synthesis of Selurampanel, a Novel Orally Active and Competitive AMPA Receptor Antagonist
Authors: Orain David , Tasdelen Engin , Haessig Samuel , Koller Manuel , Picard Anne , Dubois Celine , Lingenhoehl Kurt , Desrayaud Sandrine , Floersheim Phillip , Carcache David , Urwyler Stephan , Kallen Joerg , Mattes Henri 
Published: November 2016

AbstractA series of potent quinazolinedione sulfonamide antagonists of the α‐amino‐3‐hydroxy‐5‐methyl‐4‐isoxazole‐propionic acid (AMPA) receptor were designed and synthesized. The structure–activity relationships (SAR) and in vivo activity of the series were investigated. In particular, compound 1 S (selurampanel; N‐[7‐isopropyl‐6‐(2‐methylpyrazol‐3‐yl)‐2,4‐dioxo‐1H‐quinazolin‐3‐yl]methanesulfonamide) has shown excellent oral potency against maximal electroshock seizure (MES)‐induced generalized tonic–clonic seizures in rodents as well as significant activity in patients suffering from various forms of epilepsy. The X‐ray crystal structure of selurampanel bound to the AMPA receptor hGluA was also obtained.
Assessment of Bromodomain Target Engagement by a Series of BI2536 Analogues with Miniaturized BET‐BRET
Authors: Koblan Luke W. , Buckley Dennis L. , Ott Christopher J. , Fitzgerald Mark E. , Ember Stuart W. J. , Zhu Jin‐Yi , Liu Shuai , Roberts Justin M. , Remillard David , Vittori Sarah , Zhang Wei , Schonbrunn Ernst , Bradner James E. 
Published: November 2016

AbstractEvaluating the engagement of a small molecule ligand with a protein target in cells provides useful information for chemical probe optimization and pharmaceutical development. While several techniques exist that can be performed in a low‐throughput manner, systematic evaluation of large compound libraries remains a challenge. In‐cell engagement measurements are especially useful when evaluating compound classes suspected to target multiple cellular factors. In this study we used a bioluminescent resonant energy transfer assay to assess bromodomain engagement by a compound series containing bromodomain‐ and kinase‐biasing polypharmacophores based on the known dual BRD4 bromodomain/PLK1 kinase inhibitor BI2536. With this assay, we discovered several novel agents with bromodomain‐selective specificity profiles and cellular activity. Thus, this platform aids in distinguishing molecules whose cellular activity is difficult to assess due to polypharmacologic effects.
Screening for depression in cancer patients receiving radiotherapy: Feasibility and identification of effective tools in the NRG Oncology RTOG 0841 trial
Authors: Wagner Lynne I. , Pugh Stephanie L. , Small William , Kirshner Jeffrey , Sidhu Kulbir , Bury Martin J. , DeNittis Albert S. , Alpert Tracy E. , Tran Binh , Bloom Beatrice F. , Mai Julie , Yeh Alexander , Sarma Kalika , Becker Mark , James Jennifer , Bruner Deborah Watkins 
Published: November 2016

BACKGROUNDBrief tools are needed to screen oncology outpatients for depressive symptoms.METHODSPatients starting radiotherapy for the first diagnosis of any tumor completed distress screening tools, including the 9‐item Patient Health Questionnaire (PHQ‐9), the 2‐item Patient Health Questionnaire (PHQ‐2), the National Comprehensive Cancer Network Distress Thermometer (NCCN‐DT), and the Hopkins Symptom Checklist (HSCL) (25‐item version). Patients exceeding validated cutoff scores and a systematic sample of patients whose screening was negative completed the Structured Clinical Interview for DSM‐IV (SCID) mood disorder modules via telephone.RESULTSFour hundred sixty‐three patients from 35 community‐based radiation oncology sites and 2 academic radiation oncology sites were recruited. Sixty‐six percent of the 455 eligible patients (n = 299) were women, and the eligible patients had breast (45%), gastrointestinal (11%), lung (10%), gynecologic (6%), or other cancers (27%). Seventy‐five (16.5%) exceeded screening cutoffs for depressive symptoms. Forty‐two of these patients completed the SCID. Another 37 patients whose screening was negative completed the SCID. Among the 79 patients completing the SCID, 8 (10.1%) met the criteria for major depression, 2 (2.5%) met the criteria for dysthymia, and 6 (7.6%) met the criteria for an adjustment disorder. The PHQ‐2 demonstrated good psychometric properties for screening for mood disorders with a cutoff score of ≥3 (receiver operating characteristic area under the curve [AUC], 0.83) and was comparable to the PHQ‐9 ( > 9; AUC = 0.85). The NCCN‐DT did not detect depression (AUC = 0.59).CONCLUSIONSThe PHQ‐2 demonstrated good psychometric properties for screening for mood disorders, which were equivalent to the PHQ‐9 and superior to the NCCN‐DT. These findings support using the PHQ‐2 to identify patients in need of further assessment for depression, which has a low prevalence but is a clinically significant comorbidity. These findings could inform the implementation of distress screening accreditation standards. Cancer 2017;123:485–493. © 2016 American Cancer Society.
Spatial distribution of synapses on tyrosine hydroxylase–expressing juxtaglomerular cells in the mouse olfactory glomerulus
Authors: Kiyokage Emi , Kobayashi Kazuto , Toida Kazunori 
Published: November 2016

AbstractOlfactory sensory axons converge in specific glomeruli where they form excitatory synapses onto dendrites of mitral/tufted (M/T) and juxtaglomerular (JG) cells, including periglomerular (PG), external tufted (ET), and superficial‐short axon cells. JG cells consist of heterogeneous subpopulations with different neurochemical, physiological, and morphological properties. Among JG cells, previous electron microscopic (EM) studies have shown that the majority of synaptic inputs to tyrosine hydroxylase (TH)‐immunoreactive neurons were asymmetrical synapses from olfactory nerve (ON) terminals. However, recent physiological results revealed that 70% of dopaminergic/γ‐aminobutyric acid (GABA)ergic neurons received polysynaptic inputs via ET cells, whereas the remaining 30% received monosynaptic ON inputs. To understand the discrepancies between EM and physiological data, we used serial EM analysis combined with confocal laser scanning microscope images to examine the spatial distribution of synapses on dendrites using mice expressing enhanced green fluorescent protein under the control of the TH promoter. The majority of synaptic inputs to TH‐expressing JG cells were from ON terminals, and they preferentially targeted distal dendrites from the soma. On the other hand, the numbers of non‐ON inputs were fewer and targeted proximal dendrites. Furthermore, individual TH‐expressing JG cells formed serial synapses, such as M/T→TH→another presumed M/T or ON→TH→presumed M/T, but not reciprocal synapses. Serotonergic fibers also associated with somatic regions of TH neurons, displaying non‐ON profiles. Thus, fewer proximal non‐ON synapses provide more effective inputs than large numbers of distal ON synapses and may occur on the physiologically characterized population of dopaminergic‐GABAergic neurons (70%) that receive their most effective inputs indirectly via an ON→ET→TH circuit. J. Comp. Neurol. 525:1059–1074, 2017. © 2017 Wiley Periodicals, Inc.
Synaptic distribution of individually labeled mitral cells in the external plexiform layer of the mouse olfactory bulb
Authors: Matsuno Takeshi , Kiyokage Emi , Toida Kazunori 
Published: November 2016

AbstractMitral cells are the major projection neurons of the olfactory bulb. They receive olfactory inputs, regulate information, and project their axons to the olfactory cortex. To understand output regulation of mitral cells better, we established a method to visualize individual projection neurons and quantitatively examined their synaptic distribution. Individual mitral cells were labeled by viral injection, reconstructed three dimensionally with light microscopy, and serial sectioned for electron microscopy. Synaptic distributions were analyzed in electron microscopically reconstructed cell bodies, two regions of secondary dendrites (near the somata and ∼200 μm from the somata), and primary dendrites. The ratio of presynaptic sites (60%) and reciprocal synapses (60% presynaptic and 80% postsynaptic sites) were similar in each region. Characteristically, primary dendrite synapses were distributed mainly within the inner half of the external plexiform layer (EPL). For comparison, tufted cells were also examined, and the synaptic distribution in two secondary dendrite regions, which corresponded with mitral cells, was analyzed. The results showed that the ratio of reciprocal synapses (80% presynaptic and 90% postsynaptic sites) was greater than in mitral cells. The distribution of symmetrical synapses was also analyzed with synaptic and neuronal markers, such as parvalbumin, vesicular gamma‐aminobutyric acid transporter, and gephyrin. Parvalbumin‐expressing neurons tended to form synapses on secondary dendrites near the somata and were more uniformly distributed on primary dendrites of mitral cells. These results indicate that local mitral cell synaptic circuits are formed in accordance with their functional roles and restricted to the inner half of the EPL. J. Comp. Neurol. 525:1633–1648, 2017. © 2016 Wiley Periodicals, Inc.
Long Time Stability for Solutions of a β‐Plane Equation
Authors: Elgindi Tarek M. , Widmayer Klaus 
Published: November 2016

AbstractWe prove stability for arbitrarily long times of the zero solution for the so‐called β‐plane equation, which describes the motion of a two‐dimensional inviscid, ideal fluid under the influence of the Coriolis effect. The Coriolis force introduces a linear dispersive operator into the two‐dimensional incompressible Euler equations, thus making this problem amenable to an analysis from the point of view of nonlinear dispersive equations. The dispersive operator, , exhibits good decay, but has numerous unfavorable properties, chief among which are its anisotropy and its behavior at small frequencies.© 2016 Wiley Periodicals, Inc.
Secure combinatorial key predistribution scheme for sensor networks by regulating frequencies: magneto optic sensors
Authors: Sarkar Pinaki , Chowdhury Morshed Uddin , Sakurai Kouichi 
Published: November 2016

SummaryLow cost, decentralized architecture and ad hoc nature are a few desirable properties of wireless sensor networks that make them well suited for gathering sensitive information in hazardous deployment grounds. Existing security protocols exploit various cryptographic tools to strengthen their security. Not many works focus on constraints faced by an adversary. One such constraint being practical difficulties to trace a particular frequency band from a large range of unknown frequencies, specially in unharmonious geographical locations. Our research capitalizes on this weakness encountered by an adversary and preassigns nodes with multiple frequency bands from a wide range of frequencies allocated to the network. Deployed nodes can discover these bands during set network setup phase by a simple trick. Nodes are to internally switch their frequency bands depending on parametric variation that are caused by an (external) impulse. Experiments conducted using magneto optic sensors confirm that any variation of their parameter affects frequencies of emergent waves. Similar behavior is expected from application specific sensors. Frequency regulation (FR) concept is applied to combinatorial key predistribution schemes (KPS) having (regular) degreer. Depending onrand each node's capability to switch internal frequencies, nodes are preallocated withnfrequency bands. This naturally partitions the (distributed) network and results in improved resilience. Combining our FR concept to a KPS where the number of shared key between a pair of nodes is at most one (γ≤ 1) may yield best case scenario of an ideally resilient key predistribution. Our analysis of systems that combines FR idea with KPS whereγ > 1 leads to an optimized key‐band distribution argument and drastic resilience improvements. Results of simulations conducted assuming real‐life scenario ascertain our analysis and establishes superior performance of our protocols as compared to prominent ones.
Synthesis of bis‐Isoxazole‐bis‐Methylene Dinitrate: A Potential Nitrate Plasticizer and Melt‐Castable Energetic Material
Authors: Wingard Leah A. , Guzmán Pablo E. , Johnson Eric C. , Sabatini Jesse J. , Drake Gregory W. , Byrd Edward F. C. 
Published: November 2016

AbstractThe efficient and scalable synthesis of 3,3′‐bis‐isoxazole‐5,5′‐bis‐methylene dinitrate and its energetic properties are described. The material has favorable sensitivity properties; energetic properties point toward its potential as both a melt‐castable secondary explosive and as a propellant plasticizer.
Phenylene‐Bridged Expanded Porphyrazines
Authors: Iizuka Fumiya , Kage Yuto , Kobayashi Nagao , Furuta Hiroyuki , Shimizu Soji 
Published: November 2016

AbstractNovel expanded porphyrazines comprising o‐ and p‐phenylene units were synthesized from self‐condensation reactions of acyclic [2+1]‐type precursors prepared from 1,3‐diiminoisoindoline and the corresponding phenylenediamines. Möbius and Hückel topological structures of [4+2]‐type and [3+2]‐type expanded porphyrazines, respectively, were elucidated by X‐ray crystallography. Despite the Möbius and Hückel [4n]π‐electron systems, these expanded porphyrazines are virtually nonaromatic as a result of their flexible structures in solution, which may diminish intrinsic aromaticity and antiaromaticity.
Hydrogen‐free catalytic fractionation of woody biomass
Authors: Galkin Maxim V. , Smit Arjan T. , Subbotina Elena , Artemenko Konstantin A. , Bergquist Jonas , Huijgen Wouter J. J. , Samec Joseph S. M. 
Published: November 2016

AbstractThe pulping industry could become a biorefinery if the lignin and hemicellulose components of the lignocellulose are valorized. Conversion of lignin into well‐defined aromatic chemicals is still a major challenge. Lignin depolymerization reactions often occur in parallel with irreversible condensation reactions of the formed fragments. Here, we describe a strategy that markedly suppresses the undesired condensation pathways and allows to selectively transform lignin into a few aromatic compounds. Notably, applying this strategy to woody biomass at organosolv pulping conditions, the hemicellulose, cellulose, and lignin were separated and in parallel the lignin was transformed into aromatic monomers. In addition, we were able to utilize a part of the lignocellulose as an internal source of hydrogen for the reductive lignin transformations. We hope that the presented methodology will inspire researchers in the field of lignin valorization as well as pulp producers to develop more efficient biomass fractionation processes in the future.
Catalytic Conversion of Carbohydrates to Levulinate Ester over Heteropolyanion‐Based Ionic Liquids
Authors: Song Changhua , Liu Sijie , Peng Xinwen , Long Jinxing , Lou Wenyong , Li Xuehui 
Published: November 2016

AbstractAn efficient one‐pot approach for the production of levulinate ester from renewable carbohydrates is demonstrated over heteropolyanion‐based ionic liquid (IL‐POM) catalysts with alcohols as the promoters and solvents. The relationships between the structure, acidic strength, and solubility of the IL‐POM in methanol and the catalytic performance were studied intensively. A cellulose conversion of 100 % could be achieved with a 71.4 % yield of methyl levulinate over the catalyst [PyPS]3PW12O40 [PyPS=1‐(3‐sulfopropyl)pyridinium] at 150 °C for 5 h. This high efficiency is ascribed to the reasonably high activity of the ionic liquid (IL) catalyst and reaction coupling with rapid in situ esterification of the generated levulinic acid with the alcohol promoter, which allows the insolubility of cellulose encountered in biomass conversion to be overcome. Furthermore, the present process exhibits high feedstock adaptability for typical carbohydrates and handy catalyst recovery by a simple self‐separation procedure through temperature control.
3 D Co3(PO4)2–Reduced Graphene Oxide Flowers for Photocatalytic Water Splitting: A Type II Staggered Heterojunction System
Authors: Samal Alaka , Swain Smrutirekha , Satpati Biswarup , Das Dipti Prakasini , Mishra Barada Kanta 
Published: November 2016

AbstractThe design, synthesis, and photoelectrochemical characterization of Co3(PO4)2, a hydrogen evolving catalyst modified with reduced graphene oxide (RGO), is reported. The 3 D flowerlike Co3(PO4)2 heterojunction system, consisting of 3 D flowerlike Co3(PO4)2 and RGO sheets, was synthesized by a one‐pot in situ photoassisted method under visible‐light irradiation, which was achieved without the addition of surfactant or a structure‐directing reagent. For the first time, Co3(PO4)2 is demonstrated to act as a hydrogen evolving catalyst rather than being used as an oxygen evolving photoanode. In particular, 3 D flowerlike Co3(PO4)2 anchored to RGO nanosheets is shown to possess dramatically improved photocatalytic activity. This enhanced photoactivity is mainly due to the staggered type II heterojunction system, in which photoinduced electrons from 3 D flowerlike Co3(PO4)2 transfer to the RGO sheets and result in decreased charge recombination, as evidenced by photoluminescence spectroscopy. The band gap of Co3(PO4)2 was calculated to be 2.35 eV by the Kubelka–Munk method. Again, the Co3(PO4)2 semiconductor displays n‐type behavior, as observed from Mott–Schottky measurements. These RGO–Co3(PO4)2 conjugates are active in the visible range of solar light for water splitting and textile dye degradation, and can be used towards the development of greener and cheaper photocatalysts by exploiting solar light.