bluuebunny/crossref_metadata_2025 huggingface dataset:
Mechanistic Investigations into the Application of Sulfoxides in Carbohydrate Synthesis
Authors: Fascione Martin A. , Brabham Robin , Turnbull W. Bruce
Published: January 2016

The utility of sulfoxides in a diverse range of transformations in the field of carbohydrate chemistry has seen rapid growth since the first introduction of a sulfoxide as a glycosyl donor in 1989. Sulfoxides have since developed into more than just anomeric leaving groups, and today have multiple roles in glycosylation reactions. These include as activators for thioglycosides, hemiacetals, and glycals, and as precursors to glycosyl triflates, which are essential for stereoselective β‐mannoside synthesis, and bicyclic sulfonium ions that facilitate the stereoselective synthesis of α‐glycosides. In this review we highlight the mechanistic investigations undertaken in this area, often outlining strategies employed to differentiate between multiple proposed reaction pathways, and how the conclusions of these investigations have and continue to inform upon the development of more efficient transformations in sulfoxide‐based carbohydrate synthesis.
C2 in a Box: Determining Its Intrinsic Bond Strength for the X1Σg+ Ground State
Authors: Zou Wenli , Cremer Dieter
Published: January 2016

The intrinsic bond strength of C2 in its 1Σg+ ground state is determined from its stretching force constant utilizing MR‐CISD+Q(8,8), MR‐AQCC(8,8), and single‐determinant coupled cluster calculations with triple and quadruple excitations. By referencing the CC stretching force constant to its local counterparts of ethane, ethylene, and acetylene, an intrinsic bond strength half way between that of a double bond and a triple bond is obtained. Diabatic MR‐CISD+Q results do not change this. Confinement of C2 and suitable reference molecules in a noble gas cage leads to compression, polarization, and charge transfer effects, which are quantified by the local CC stretching force constants and differences of correlated electron densities. These results are in line with two π bonds and a partial σ bond. Bond orders and bond dissociation energies of small hydrocarbons do not support quadruple bonding in C2.
Stereodivergent Synthesis and Stereochemical Reassignment of the C79–C104 Fragment of Symbiodinolide
Authors: Takamura Hiroyoshi , Fujiwara Takayuki , Kawakubo Yohei , Kadota Isao , Uemura Daisuke
Published: January 2016

We have synthesized eight possible diastereoisomers 3 a–h of the C79–C97 fragment of symbiodinolide (1) in a stereodivergent manner by utilizing a dithiane addition to the aldehyde as a key step. Comparison of the 13C NMR chemical shifts of the natural product 1 and the synthetic products 3 a–h indicated that the relative stereostructure of this fragment in symbiodinolide (1) is that represented in 3 a or f. We have stereodivergently synthesized eight possible diastereoisomers of the C94–C104 fragment 4 a–h, and we have compared their 13C NMR chemical shifts with those of the natural product, which established the relative stereochemistry of this fragment to be that described in diastereoisomers 4 a or e. By combining the stereostructural outcomes of the C79–C97 and C94–C104 fragments, we have proposed four candidate compounds of the C79–C104 fragment 2 a–d. We also synthesized diastereoisomers 2 a and b (2 a in the preceding article; Chem. Eur. J. 2015, DOI: 10.1002/chem.201503880) by a Julia–Kocienski olefination and diastereoisomers 2 c and d by a Wittig reaction. By comparing the 13C NMR chemical shifts of natural symbiodinolide (1) with those of the synthetic products 2 a–d, we have reassigned the stereostructure of the C79–C104 fragment of natural product 1 to be that depicted in diastereoisomer 2 b.
Chiral Triazoles in Anion‐Binding Catalysis: New Entry to Enantioselective Reissert‐Type Reactions
Authors: Zurro Mercedes , Asmus Sören , Bamberger Julia , Beckendorf Stephan , García Mancheño Olga
Published: January 2016

Easily accessible and tunable chiral triazoles have been introduced as a novel class of C−H bond‐based H‐donors for anion‐binding organocatalysis. They have proven to be effective catalysts for the dearomatization reaction of different N‐heteroarenes. Although this dearomatization approach represents a powerful strategy to build chiral heterocycles, to date only a few catalytic methods to this end exist. In this work, the organocatalyzed enantioselective Reissert‐type dearomatization of isoquinoline derivatives employing a number of structurally diverse chiral triazoles as anion‐binding catalysts was realized. The here presented method was employed to synthesize a number of chiral 1,2‐dihydroisoquinoline substrates with an enantioselectivity up to 86:14 e.r. Moreover, a thorough study of the determining parameters affecting the activity of this type of anion‐ binding catalysts was carried out.
Water Adsorption and Dissociation on Ceria‐Supported Single‐Atom Catalysts: A First‐Principles DFT+U Investigation
Authors: Han Zhong‐Kang , Gao Yi
Published: January 2016

Single‐atom catalysts have attracted wide attention owing to their extremely high atom efficiency and activities. In this paper, we applied density functional theory with the inclusion of the on‐site Coulomb interaction (DFT+U) to investigate water adsorption and dissociation on clean CeO2(111) surfaces and single transition metal atoms (STMAs) adsorbed on the CeO2(111) surface. It is found that the most stable water configuration is molecular adsorption on the clean CeO2(111) surface and dissociative adsorption on STMA/CeO2(111) surfaces, respectively. In addition, our results indicate that the more the electrons that transfer from STMA to the ceria substrate, the stronger the binding energies between the STMA and ceria surfaces. A linear relationship is identified between the water dissociation barriers and the d band centers of STMA, known as the generalized Brønsted–Evans–Polanyi principle. By combining the oxygen spillovers, single‐atom dispersion stabilities, and water dissociation barriers, Zn, Cr, and V are identified as potential candidates for the future design of ceria‐supported single‐atom catalysts for reactions in which the dissociation of water plays an important role, such as the water–gas shift reaction.
ChemInform Abstract: Identification of Diborane(4) with Bridging B—H—B Bonds.
Authors: Chou Sheng‐Lung , Lo Jen‐Iu , Peng Yu‐Chain , Lin Meng‐Yeh , Lu Hsiao‐Chi , Cheng Bing‐Ming , Ogilvie J. F.
Published: January 2016

Photolysis of B2H6 dispersed in solid neon with far‐UV light (120—220 nm) at 3 K leads to the formation of B2H4, which is characterized by IR spectroscopy and B3LYP quantum chemical computations.
ChemInform Abstract: Quantum Dot Light‐Emitting Diodes Based on Inorganic Perovskite Cesium Lead Halides (CsPbX3).
Authors: Song Jizhong , Li Jianhai , Li Xiaoming , Xu Leimeng , Dong Yuhui , Zeng Haibo
Published: January 2016

High‐quality CsPbBr3 quantum dots are prepared by hot‐injection of cesium stearate into a mixture of octadecene, oleylamine, oleic acid, and PbBr2 at 170 °C.
ChemInform Abstract: Anisotropic Anomalies of Thermoelectric Transport Properties and Electronic Structures in Layered Complex Nitrides AMN2 (A: Na, Cu; M: Ta, Nb).
Authors: Ohkubo Isao , Mori Takao
Published: January 2016

DFT (WIEN2k code, with modified Becke—Johnson potential) and the generalized gradient approximation‐Perdew—Burke—Ernzerhof functional potential and Boltzmann theory calculations are performed to determine the electronic structures and electronic transport coefficients of AMN2 (A: Na, Cu; M: Ta, Nb) nitrides.
ChemInform Abstract: Facile Synthesis of Mn6.87(OH)3(VO4)3.6 (V2O7)0.2 Microtubes and Their Application as an Anode Material for Lithium‐Ion Batteries.
Authors: Zhang Shaoyan , Zhang Yuanyuan
Published: January 2016

The preparation of Mn6.87(OH)3(VO4)3.6 (V2O7)0.2 microtubes is systematically investigated by variation of the reaction time, reaction temperature, and pH in the hydrothermal reaction of aqueous solutions of MnSO4 and Na3VO4 (autoclave, 200 °C, 16 h, pH 8.02).
ChemInform Abstract: PO43‐ Doped Li4Ti5O12 Hollow Microspheres as an Anode Material for Lithium‐Ion Batteries.
Authors: Han Dian‐Dian , Pan Gui‐Ling , Liu Sheng , Gao Xue‐Ping
Published: January 2016

Li4Ti5O12(PO4)x (x = 0.01‐0.03) hollow microspheres are prepared via a template method and solid‐state reaction.
ChemInform Abstract: Preparation and Electrochemical Performance of Li[Ni1/3Co1/3Mn1/3]O2 Synthesized Using Li2CO3 as Template.
Authors: Zhang Jibin , Zhong Yanjun , Shi Xiaxing , Zheng Zhuo , Hua Weibo , Chen Yanxiao , Liu Wenyuan , Zhong Benhe
Published: January 2016

Porous Li[Ni1/3Co1/3Mn1/3]O2 is synthesized by a carbonate co‐precipitation method from an aqueous mixture of Ni(NO3)2, Co(NO3)2, Mn(OAc)2, Li2CO3 as template and lithium source, NH4HCO3, and NH3·H2O as precipitator and chelating agent (100 °C for 12 h, calcination at 550 °C for 6 h, sintering at 900 °C for 10 h in air).
ChemInform Abstract: Surfactant‐Assisted Sol—Gel Route to Lithium Titanate and Its Electrochemical Properties.
Authors: Sandhya C. P. , John Bibin , Gouri C.
Published: January 2016

The effect of different surfactants on the electrochemical properties of Li4Ti5O12 powders is investigated.
ChemInform Abstract: Explorations of New SHG Materials in the Alkali‐Metal—Nb5+—Selenite System.
Authors: Cao Xue‐Li , Hu Chun‐Li , Kong Fang , Mao Jiang‐Gao
Published: January 2016

The new compounds (IV) and (V) are prepared by solid state reactions and characterized by single crystal XRD, IR and UV/VIS spectroscopy, second harmonic generation measurements, and DFT electronic structure calculations.
ChemInform Abstract: Ti2‐Containing 18‐Tungsto‐2‐Arsenate(III) Monolacunary Host and the Incorporation of a Phenylantimony(III) Guest.
Authors: Wang Kai‐Yao , Lin Zhengguo , Bassil Bassem. S. , Xing Xiaolin , Haider Ali , Keita Bineta , Zhang Guangjin , Silvestru Cristian , Kortz Ulrich
Published: January 2016

Compounds (IV) and (VII) are characterized in the solid state by single crystal XRD and FTIR spectroscopy, and in solution by UV/VIS and NMR spectroscopy and electrochemical measurements.
ChemInform Abstract: An Acid/Base‐Regulated Recyclable Strategy for Homogeneous Cinchona Alkaloid‐Derived Primary Amine Organocatalysts in Aldol, Vinylogous Michael and Double‐Michael Cascade Reactions.
Authors: Wan Jingwei , Zhao Zhiwei , Wang Falu , Ma Xuebing
Published: January 2016

Organocatalysts (I) are applied in the title reactions according to conditions A)—C).
ChemInform Abstract: Diastereo‐ and Enantioselective Iridium Catalyzed Carbonyl (α‐Cyclopropyl)allylation via Transfer Hydrogenation.
Authors: Tsutsumi Ryosuke , Hong Suckchang , Krische Michael J.
Published: January 2016

Using the chiral precatalyst modified by SEGPHOS, the carbonyl α‐(cyclopropyl)allylation is reached with similar facility from alcohol or aldehyde oxidation levels of the substrates.
ChemInform Abstract: Gold‐Catalyzed Cycloisomerization and Diels—Alder Reaction of 1,6‐Diyne Esters with Alkenes and Diazenes to Hydronaphthalenes and ‐cinnolines.
Authors: Yan Jianming , Tay Guan Liang , Neo Cuien , Lee Bo Ra , Chan Philip Wai Hong
Published: January 2016

The one‐pot title process between 1,6‐diyne esters and electron‐deficient dienophiles such as maleic acid derivatives, tetracyanoethene, benzoquinone, and azodicarboxylates is described.
ChemInform Abstract: Enantioselective, Catalytic Trichloromethylation Through Visible‐Light‐Activated Photoredox Catalysis with a Chiral Iridium Complex.
Authors: Huo Haohua , Wang Chuanyong , Harms Klaus , Meggers Eric
Published: January 2016

This is the first example of an enantioselective, catalytic trichloromethylation process.
ChemInform Abstract: Palladium‐Catalyzed ortho‐Olefination of Phenyl Acetic and Phenyl Propylacetic Esters via C—H Bond Activation.
Authors: Hu Jundie , Guan Mingyu , Han Jian , Huang Zhi‐Bin , Shi Da‐Qing , Zhao Yingsheng
Published: January 2016

This Pd‐catalyzed and ester‐directed ortho‐olefination of phenyl acetic and propionic esters offers a new way to modify aromatic‐containing aliphatic acids.
ChemInform Abstract: Preparation of α‐Bromo‐β‐hydroxy Esters Using MgBr2·OEt2.
Authors: Lieberman Brandin , Cohen Adi , Schechter Aaron , Lim Daniel
Published: January 2016

The aldol reaction between aryl 1‐bromoacetates and aryl or alkenylaldehydes provides α‐bromo‐β‐hydroxy esters with moderate diastereoselectivity.
ChemInform Abstract: Dehydrogenative Carbon—Carbon Bond Formation Using Alkynyloxy Moieties as Hydrogen‐Accepting Directing Groups.
Authors: Minami Yasunori , Kodama Tatsuro , Hiyama Tamejiro
Published: January 2016

o‐Alkynylphenols are found to undergo a Pd/Zn‐catalyzed dehydrogenative formation of benzocyclobutene derivatives involving the o‐alkynyl substituent as internal hydrogen acceptor.
ChemInform Abstract: Intermolecular Heterocyclization of Alkynones with 2‐Mercaptoacetaldehyde under Metal‐Free Conditions: Synthesis of 2,3‐Disubstituted Thiophenes.
Authors: Vatansever Erol Can , Kilic Kuebra , Oezer Merve Sinem , Koza Gani , Menges Nurettin , Balci Metin
Published: January 2016

A concise and regioselective approach for the synthesis of 2,3‐disubstituted thiophene derivatives is developed.
ChemInform Abstract: Synthesis of Isoquinolones Using Visible‐Light‐Promoted Denitrogenative Alkyne Insertion of 1,2,3‐Benzotriazinones.
Authors: Wang Hao , Yu Shouyun
Published: January 2016

This method allows the synthesis of a wide range of substituted isoquinolines with high regioselectivity at room temperature.
ChemInform Abstract: Catalytic Asymmetric Four‐Component Reaction for the Rapid Construction of 3,3‐Disubstituted 3‐Indol‐3′‐yloxindoles.
Authors: Jing Changcheng , Xing Dong , Hu Wenhao
Published: January 2016

A Rh(II)/chiral phosphoric acid co‐catalyzed four‐component reaction of indoles, 3‐diazooxindoles, aryl amines, and glyoxylate affords the title compounds efficiently with excellent diastereoselectivity (<90%) and high to excellent enantioselectivity.
ChemInform Abstract: Hydroarylation of Alkynes with Phenols in the Presence of Gallium Complexes of a Labile N‐Ligand: Synthesis of Chromenes.
Authors: Moskalev Mikhail V. , Yakub Arkadiy M. , Morozov Alexander G. , Baranov Evgenii V. , Kazarina Olga V. , Fedushkin Igor L.
Published: January 2016

Both gallium complexes (I) and (II) are investigated in the title reaction and (II) is used in most cases as the more efficient one.
ChemInform Abstract: Reinvestigation of the Reaction Between 1,3‐Diketones and 2‐Hydroxyarylaldehydes: A Short, Atom‐Economical Entry to Tetrahydroxanthenones.
Authors: Chandrasekhara Rao L. , Satish Kumar N. , Jagadeesh Babu N. , Meshram H. M.
Published: January 2016

The novel functionalized title xanthenones are conveniently obtained by DABCO‐catalyzed tandem Knoevenagel condensation/hemiketalization from easily available substrates.
ChemInform Abstract: Transition‐Metal‐Free Dehydrosilylative Difluoroamidation of Tetrahydroisoquinolines under Mild Conditions.
Authors: Chen Qiao , Zhou Jiawei , Wang Yanan , Wang Chao , Liu Xihong , Xu Zhaoqing , Lin Li , Wang Rui
Published: January 2016

A scalable and efficient α,α‐difluoroamidation, carboxylation, and phosphorylation of various N‐aryltetrahydroisoquinolines is described.
ChemInform Abstract: Design, Synthesis and Biological Evaluation of Novel 1,2,4‐Triazolo[3,4‐b][1,3,4]thiadiazines Bearing Furan and Thiophene Nucleus.
Authors: Zhang Bei , Li Yan‐Hong , Liu Yang , Chen Yu‐Rong , Pan En‐Shan , You Wen‐Wei , Zhao Pei‐Liang
Published: January 2016

Twenty‐six novel 1,2,4‐triazolo [3,4‐b][1,3,4] thiadiazines containing a furan and thiophene moiety are synthesized and evaluated for their biological activities.
ChemInform Abstract: A Highly Effective Ruthenium System for the Catalyzed Dehydrogenative Cyclization of Amine—Boranes to Cyclic Boranes under Mild Conditions.
Authors: Wallis Christopher J. , Alcaraz Gilles , Petit Alban S. , Poblador‐Bahamonde Amalia I. , Clot Eric , Bijani Christian , Vendier Laure , Sabo‐Etienne Sylviane
Published: January 2016

Diamine‐monoboranes and one amine‐borane alcohol precursor are utilized for cyclization reactions affording the corresponding NB(H)N‐ and NB(H)O‐containing cyclic diaminoboranes and oxazaborolidine, resp.
ChemInform Abstract: π‐Excess σ2P=C—N—Heterocycles: Catalytic P‐Arylation and Alkylation of N‐Alkyl‐1,3‐benzazaphospholes and Isolation of P,N‐Disubstituted Dihydrobenzazaphosphole P‐Oxides.
Authors: Niaz Basit , Aluri Bhaskar R. , Jones Peter G. , Heinicke Joachim W.
Published: January 2016

The reactions between benzazaphospholes [e.g. (I)] with aryl iodides [e.g. (II)] or aryl bromides [e.g. (V)] using Pd(II) or Pd(0) catalysts lead to P‐arylated moisture‐sensitive intermediates [e.g. (III)], which give the final product P‐oxides [e.g. (IV)] after work‐up steps.
ChemInform Abstract: Simultaneous Application of Arylmethylene Acetal and Butane Diacetal Groups for Protection of Hexopyranosides: Synthesis and Chemoselective Ring‐Opening Reactions.
Authors: Herczeg Mihaly , Demeter Fruzsina , Mezo Erika , Pap Mate , Borbas Aniko
Published: January 2016

The ring‐opening reactions are first investigated for the methyl α‐D‐glucopyranosides (I).
ChemInform Abstract: Prenylated 9,10‐Dihydrophenanthrenes from Macaranga javanica.
Authors: Ilmiawati Aulia , Hakim Euis H. , Syah Yana M.
Published: January 2016

Three new prenylated 9,10‐dihydrophenanthrenes, macajavanicins A (Ia), macajavanicins B (Ib), and macajavanicins C (II) are isolated from the acetone extract of Macaranga javanica leaves along with two known prenylated dihydrostilenes, laevifolins A and B.
ChemInform Abstract: Combined Asymmetric Aminocatalysis and Carbene Catalysis
Authors: Gu Jing , Du Wei , Chen Ying‐Chun
Published: January 2016

Review: [33 refs.
ChemInform Abstract: Synthesis of Interlocked Compounds Utilizing the Catalytic Activity of Macrocyclic Phenanthroline‐Cu Complexes
Authors: Saito Shinichi
Published: January 2016

Review: 66 refs.
ChemInform Abstract: Chemical Biology Protein Modification in a Trice
Authors: Maynard Heather
Published: January 2016

Review: 10 refs.
Cardiovascular disease‐induced thermal responses during passive heat stress: an integrated computational study
Authors: Zhang Xiancheng , Noda Shigeho , Himeno Ryutaro , Liu Hao
Published: January 2016

The cardiovascular system plays a crucial role in human thermoregulation; cardiovascular diseases may lead to significantly degrading the thermoregulation ability for patients during exposure to heat stress. To evaluate the thermal responses of patients with common chronic cardiovascular diseases, we here propose an integrated computational model by coupling a two‐node thermoregulation model with a closed‐loop, multi‐compartment, lumped‐parameter cardiovascular model. This bioheat transfer model is validated, capable to predict cardiovascular functions and thermal responses under varying environmental conditions. Our results demonstrate that the cardiovascular disease‐induced reduction in cardiac output and skin blood flow causes extra elevation in core temperature during hyperthermic challenges. In addition, a combination of aging, obesity, and cardiovascular diseases shows a pronounced increase in core temperature during heat exposure, which implies that such combined effect may increase the risk of heat‐related morbidity and mortality. Copyright © 2016 John Wiley & Sons, Ltd.
A cloud service selection model using improved ranked voting method
Authors: Baranwal Gaurav , Vidyarthi Deo Prakash
Published: January 2016

Cloud computing is an upcoming and promising solution for utility computing that provides resources on demand. As it has grown into a business model, a large number of cloud service providers exist today in the cloud market, which further is expanding exponentially. Many cloud service providers, with almost similar functionality, pose a selection problem to the cloud users. To assist the users in the best service selection, as per its requirement, a framework has been developed in which users list their quality of service (QoS) expectation, while service providers express their offerings. Experience of the existing cloud users is also taken into account in order to select the best cloud service provider. This work identifies some new QoS metrics, besides few existing ones, and defines it in a way that eases both the user and the provider to express their expectations and offers, respectively, in a quantified manner. Further, a dynamic and flexible model, using a variant of ranked voting method, is proposed that considers users' requirement and suggests the best cloud service provider. Case studies affirm the correctness and the effectiveness of the proposed model. Copyright © 2016 John Wiley & Sons, Ltd.
Selective digital filters with quadratic phase
Authors: Djurić Miloš , Stančić Goran
Published: January 2016

A method for design of a new class of digital infinite impulse response filters realized as parallel connection of two all‐pass filters is presented in this paper. A new approach to approximation of quadratic phase of all‐pass filter at all frequencies is given. Chosen parallel structure offers opportunity for realization of filters with arbitrary shape phase. The presented algorithm is based on all‐pass filter phase approximation. Phases of both all‐pass filters approximate ideal quadratic phase in minimax sense at all frequencies. Such filters can be applied for chirp signal compression or expansion. Magnitude characteristic of described filters is very selective and elliptic‐like. Obtained filters are compared with elliptic filter and group delay corrector in cascade. For the same specifications, much better results are achieved by the proposed filters. Parallel connection of all‐pass filters introduces lower signal delay, and for a given maximal phase, approximation error demands less complex network. Examples to illustrate the proposed method are given. Copyright © 2016 John Wiley & Sons, Ltd.
Notch signal reception is required in vascular smooth muscle cells for ductus arteriosus closure
Authors: Krebs Luke T. , Norton Christine R. , Gridley Thomas
Published: January 2016

The ductus arteriosus is an arterial vessel that shunts blood flow away from the lungs during fetal life, but normally occludes after birth to establish the adult circulation pattern. Failure of the ductus arteriosus to close after birth is termed patent ductus arteriosus, and is one of the most common congenital heart defects. Our previous work demonstrated that vascular smooth muscle cell expression of the Jag1 gene, which encodes a ligand for Notch family receptors, is essential for postnatal closure of the ductus arteriosus in mice. However, it was not known what cell population was responsible for receiving the Jag1‐mediated signal. Here we show, using smooth muscle cell‐specific deletion of the Rbpj gene, which encodes a transcription factor that mediates all canonical Notch signaling, that Notch signal reception in the vascular smooth muscle cell compartment is required for ductus arteriosus closure. These data indicate that homotypic vascular smooth muscle cell interactions are required for proper contractile smooth muscle cell differentiation and postnatal closure of the ductus arteriosus in mice. genesis 54:86–90, 2016. © 2016 Wiley Periodicals, Inc.
Assessing models of speciation under different biogeographic scenarios; an empirical study using multi‐locus and RNA‐seq analyses
Authors: Edwards Taylor , Tollis Marc , Hsieh PingHsun , Gutenkunst Ryan N. , Liu Zhen , Kusumi Kenro , Culver Melanie , Murphy Robert W.
Published: January 2016

Evolutionary biology often seeks to decipher the drivers of speciation, and much debate persists over the relative importance of isolation and gene flow in the formation of new species. Genetic studies of closely related species can assess if gene flow was present during speciation, because signatures of past introgression often persist in the genome. We test hypotheses on which mechanisms of speciation drove diversity among three distinct lineages of desert tortoise in the genus Gopherus. These lineages offer a powerful system to study speciation, because different biogeographic patterns (physical vs. ecological segregation) are observed at opposing ends of their distributions. We use 82 samples collected from 38 sites, representing the entire species' distribution and generate sequence data for mtDNA and four nuclear loci. A multilocus phylogenetic analysis in *BEAST estimates the species tree. RNA‐seq data yield 20,126 synonymous variants from 7665 contigs from two individuals of each of the three lineages. Analyses of these data using the demographic inference package ∂a∂i serve to test the null hypothesis of no gene flow during divergence. The best‐fit demographic model for the three taxa is concordant with the *BEAST species tree, and the ∂a∂i analysis does not indicate gene flow among any of the three lineages during their divergence. These analyses suggest that divergence among the lineages occurred in the absence of gene flow and in this scenario the genetic signature of ecological isolation (parapatric model) cannot be differentiated from geographic isolation (allopatric model).
Arsenic uptake and distribution in Cucumis melo and Citrullus lanatus plants
Authors: Pineda‐Chacón Gabriela , Alarcón‐Herrera María Teresa
Published: January 2016

The use of groundwater with high arsenic (As) content in agricultural irrigation is a regular practice in many regions of the world, which results in the accumulation of As in soils to levels that can alter their physicochemical properties, decrease fertility, and reduce crop yield. Plants absorb many elements from soil and irrigation water. Some of these elements have a biological function but others can be toxic to the plants such as As. The presence of As in plants pose a risk due to the possible bioaccumulation of this metalloid through the trophic chains. The uptake, biotransformation, and bioaccumulation mechanisms of As occurring in plants is substantially affected by plant species and genotypes. The effects and distribution of As in melon (Cucumis melo) and watermelon plants (Citrullus lanatus) irrigated with As in a soil mesocosm were evaluated. The accumulation of As for Cucumis melo and Citrullus lanatus is presented according to the following: root > leaf > stem. In a period of 35 weeks with 1.4 mg L−1 of As concentration in irrigation water, adverse effects on the development of both genotypes were observed. For these As concentrations, Citrullus lanatus showed a clear reduction of root growth. © 2016 American Institute of Chemical Engineers Environ Prog, 35: 750–757, 2016
Development of a hybrid particle‐mesh method for two‐phase flow simulations
Authors: Liu X. , Guo L. , Morita K. , Zhang S.
Published: January 2016

A hybrid particle‐mesh method was developed for efficient and accurate simulations of two‐phase flows. In this method, the main component of the flow is solved using the constrained interpolated profile/multi‐moment finite volumemethod; the two‐phase interface is rendered using the finite volume particle (FVP) method. The effect of surface tension is evaluated using the continuum surface force model. Numerical particles in the FVP method are distributed only on the surface of the liquid in simulating the interface between liquid and gas; these particles are used to determine the density of each mesh grid. An artificial term was also introduced to mitigate particle clustering in the direction of maximum compression and sparse discretization errors in the stretched direction. This enables accurate interface tracking without diminishing numerical efficiency. Two benchmark simulations are used to demonstrate the validity of the method developed and its numerical stability. Copyright © 2016 John Wiley & Sons, Ltd.
High orientation of long chain branched poly (lactic acid) with enhanced blood compatibility and bionic structure
Authors: Li Zhengqiu , Ye Lin , Zhao Xiaowen , Coates Phil , Caton‐Rose Fin , Martyn Michasel
Published: January 2016

Highly oriented poly (lactic acid) (PLA) with bionic microgrooves was fabricated through solid hot drawing technology for further improving the mechanical properties and blood biocompatibility of PLA. In order to enhance the melt strength and thus obtain high orientation degree, long chain branched PLA was prepared at first through a two‐step ring‐opening reaction during processing. Linear viscoelasticity combined with branch‐on‐branch model was used to predict probable compositions and chain topologies of the products, and it was found that the molecular weight of PLA increased and topological structures with star like chain with three arms and tree‐like chain with two generations formed during reactive processing, and consequently draw ratio as high as1200% can be achieved during the subsequent hot stretching. With the increase of draw ratio, the tensile strength and orientation degree of PLA increased dramatically. Long chain branching and orientation could significantly enhance the blood compatibility of PLA by prolonging clotting time and decreasing platelet activation. Microgrooves can be observed on the surface of the oriented PLA which were similar to the intimal layer of blood vessel, and such bionic structure resulted from the formation of the oriented shish kebab‐like crystals along the draw direction. © 2016 Wiley Periodicals, Inc. J Biomed Mater Res Part A: 104A: 1082–1089, 2016.
Investigating the optical NOR gate using plasmonic nanorods
Authors: Kaboli Milad , Akhlaghi Majid , Shahmirzaee Hossein
Published: January 2016

In this paper, a coherent perfect absorption‐type NOR gate based on plasmonic nano particles is proposed. It consists of two plasmonic nanorod arrays on top of two serial arms with quartz substrate. The operation principle is based on the absorbable formation of a conductive path in the dielectric layer of a plasmonic nanoparticle waveguide. Because the coherent perfect absorption efficiency depends strongly on the number of plasmonic nanorods and the locations of nanorods, an efficient binary optimization method based the Particle Swarm Optimization algorithm is used to design an optimized array of the plasmonic nanorods in order to achieve the maximum absorption coefficient in the ‘off’ state and the minimum absorption coefficient in the ‘on’ state. In Binary Particle Swarm Optimization, a group of birds consists a matrix with binary entries, control the presence (‘1’) or the absence (‘0’) of nanorods in the array. Copyright © 2016 John Wiley & Sons, Ltd.
Effect of controlled peroxide curing on the dynamic and capillary rheology of LLDPE/EMA/Clay nanocomposites
Authors: Borah J.S. , Kang I.K. , Nah C. , Chaki T.K.
Published: January 2016

The effect of controlled dicumyl peroxide (DCP) curing on the rheological behavior of linear low density polyethylene (LLDPE)/ethylene methyl acrylate (EMA)/Closite®20A nanocomposites were investigated under dynamic and steady shear flow (in a capillary) conditions. The nancomposites were melt‐compounded at 140°C, by varying the sequence of addition and amount of Cloisite®20A and DCP. The nanocomposites were cured in a compression mold at 170°C for 12 min. Both the cured and uncurednancomposites showed non‐Newtonian behavior and the elastic response of both cured and uncurednanocomposites increases with increasing frequency. The activation energy of flow for LLDPE/EMA/Closite®20A nanocomposites was increased with increasing DCP content. DCP‐cured nanocomposites exhibited shorter relaxation time than uncured nanocomposites. The die swell values are well correlated with relaxation results. POLYM. COMPOS., 38:2814–2821, 2017. © 2016 Society of Plastics Engineers
Effect of nylon 6 (PA6) addition on the properties of glass fiber reinforced acrylonitrile‐butadiene‐styrene
Authors: Essabir Hamid , Rodrigue Denis , Bouhfid Rachid , Qaiss Abou el Kacem
Published: January 2016

In this study, short glass fibers (SGF) reinforced acrylonitrile‐butadiene‐styrene (ABS) composites were compounded with different amounts of polyamide 6 (PA6). The composites were produced by twin‐screw extrusion followed by injection molding to study the effect of SGF concentration (0–30 wt%) and PA6/SGF ratio (25 and 50%) on the morphological, mechanical and rheological behavior of these composites. Both composites were mechanically characterized in tensile mode by quasi‐static and dynamic mechanical tests. The morphology of the cro‐fractured surface was analyzed. The quasi‐static tensile tests revealed that the Young's modulus is significantly increased by using Short glass fiber (a gain of 20 and 13%). From all the results obtained, it was concluded that PA6 can act as a coupling agent between SGF and ABS which was confirmed by dynamic mechanical analysis (DMA), Fourier transform infrared spectroscopy (FTIR), scanning electron microscopy (SEM) and rheological analyses. Although more work is needed to further optimize the properties of these ternary compounds, the results obtained may open new avenues for applications like automotive, sporting goods and electronics. POLYM. COMPOS., 39:14–21, 2018. © 2016 Society of Plastics Engineers
Interband optical transitions of Zn
Authors: Karpus V. , Tumėnas S. , Eikevičius A. , Arwin H.
Published: January 2016

Experimental results of an optical study of single‐crystal zinc are presented. Components of the Zn dielectric function tensor were measured by spectroscopic ellipsometry in the 0.1–5 eV spectral range. In the NIR–VIS range, the dielectric function spectra show two clearly resolved, polarization‐dependent optical features located at about 1 and 1.7 eV. The optical features were analyzed in a framework of parallel‐band optical transitions. The performed theoretical calculations of the optical conductivity spectra well reproduce the experimental data with respect to positions, intensities, and polarization dependencies of the observed interband absorption peaks.
Refocusing | Losing | Finding: BeyondSEMStructures, Functions, and Administrative Contexts
Authors: Snowden Monique
Published: January 2016

Jack Maguire proclaimed in his classic article, detailing Boston College's enrollment management (EM) design, that “to the organized go the students.” Since the inception ofEMin the 1970s, college and university leaders have perpetuated structuralist approaches toEM, which are often reflected in persistent debates about the ideal collection and organizational placement ofEMfunctions under either an administrative or academic C‐level executive. This article acknowledges the structural beginnings and inherent functional aspects ofSEM, but also challengesSEMresearchers and practitioners to expand their theoretical frames, analytical lenses, organizational conclusions, and individual actions toward more effectively realizingSEMpractices and professions in the academic context. To that end, the author promotes an academic orientation toSEMand the strategic repositioning of the 21stcentury collegiate registrar in aSEMcontext.
How does code obfuscation impact energy usage?
Authors: Sahin Cagri , Wan Mian , Tornquist Philip , McKenna Ryan , Pearson Zachary , Halfond William G. J. , Clause James
Published: January 2016

Software piracy is an important concern for application developers. Such concerns are especially relevant in mobile application development, where piracy rates can be greater than 90%. The most common approach used by mobile developers to prevent piracy is code obfuscation. However, the decision to apply such transformations is currently made without regard to the impacts of obfuscations on another area of increasing concern for mobile application developers, energy usage. Because both software piracy and battery life are important concerns, mobile application developers must strike a balance between protecting their applications and preserving the battery lives of their users' devices. To help them make such choices, we conducted an empirical study of the effects of 18 code obfuscations on the amount of energy consumed by executing a total of 21 usage scenarios spread across 11 Android applications on four different mobile phone platforms. The results of the study indicate that, while obfuscations can have a statistically significant impact on energy usage and are more likely to increase energy usage than to decrease energy usage, the magnitudes of such impacts are unlikely to be meaningful to mobile application users. Copyright © 2016 John Wiley & Sons, Ltd.
Efficient Encapsulation of a Water‐Soluble Molecule into Lipid Vesicles Using W/O/W Multiple Emulsions via Solvent Evaporation
Authors: Kuroiwa Takashi , Horikoshi Kaname , Suzuki Akihiko , Neves Marcos A. , Kobayashi Isao , Uemura Kunihiko , Nakajima Mitsutoshi , Kanazawa Akihiko , Ichikawa Sosaku
Published: January 2016

We developed a novel method for preparing lipid vesicles with high entrapment efficiency and controlled size using water‐in‐oil‐in‐water (W/O/W) multiple emulsions as vesicle templates. Preparation consists of three steps. First, a water‐in‐oil (W/O) emulsion containing to‐be‐entrapped hydrophilic molecules in the water phase and vesicle‐forming lipids in the oil phase was formulated by sonication. Second, this W/O emulsion was introduced into a microchannel emulsification device to prepare a W/O/W multiple emulsion. In this step, sodium caseinate was used as the external emulsifier. Finally, organic solvent in the oil phase was removed by simple evaporation under ambient conditions to afford lipid vesicles. The diameter of the prepared vesicles reflected the water droplet size of the primary W/O emulsions, indicating that vesicle size could be controlled by the primary W/O emulsification process. Furthermore, high entrapment yields for hydrophilic molecules (exceeding 80 % for calcein) were obtained. The resulting vesicles had a multilamellar vesicular structure, as confirmed by transmission electron microscopy.
Enhanced efficacy of combined HDAC and PARP targeting in glioblastoma
Authors: Rasmussen Rikke D. , Gajjar Madhavsai K. , Jensen Kamilla E. , Hamerlik Petra
Published: January 2016

Recent clinical trials have demonstrated that targeting chromatin remodeling factors is as a promising strategy for the treatment of glioblastoma (GBM). We and others have shown constitutive activation of DNA damage response (DDR) pathways in gliomas and suggested that targeting the DDR may improve the currently grim prognosis for patients. Based on our previous findings that inhibition of poly(ADP‐ribose) polymerase (PARP) increases radio‐sensitivity of the notoriously radio‐resistant GBM cells, we hypothesized that epigenetic down‐regulation of the DDR responses and induction of oxidative stress via HDAC inhibition would contribute to more efficient targeting of this deadly disease. Our data show that SAHA, an HDAC class I + II inhibitor, in combination with olaparib (PARP inhibitor): i) enhanced inhibition of GBM cell survival, ii) induced apoptosis, and iii) impaired cell cycle progression. These results provide a pre‐clinical rationale for combined administration of SAHA and olaparib, which are already individually in clinical trials.
Nationalism and authoritarianism in Russia: Introduction to the special issue
Authors: Kuzio Taras
Published: January 2016

This article discusses different aspects of the political evolution of Russian President and former Prime Minister Vladimir Putin and the impact of his evolution upon the type of regime that has evolved from soft authoritarianism to a ‘militocracy‘ and ‘consolidated authoritarian regime.’ The article discusses eight contributions to this special issue by placing them within the broader context of how the West misread two areas pertaining to Russia. The first is how the West by wrongly believing that Russia, being a member of G8, the NATO-Russia Council and other Western structures, continued to be interested in becoming a Western political and economic system. The second is the tradition, stretching back to Sovietology, of ignoring and downplaying the issue of how the nationalities question and different nationalisms interact with democratic revolutions, transitions and, specifically, with Russian politics.

The introductory article next discusses the eight contributions within the context of: Russian messianism, the Russkii Mir (Russian World), how and when nationalists and fascists became mainstream in Russian politics, Putin’s great power nationalism, Ukrainophobia and Russian chauvinism, historical myths and re-Stalinization of Putin’s political system. The final section compares Russia’s invasions of Georgia and Ukraine in 2008 and 2014 respectively and the growing xenophobia in Russian foreign policy.
Rapid thinning of the Welsh Ice Cap at 20–19 ka Based on 10Be Ages
Authors: Hughes Philip D. , Glasser Neil F. , Fink David
Published: January 2016

New 10Be ages from the summits of three mountain areas of North Wales reveal a very similar exposure timing as the Welsh Ice Cap thinned after the global Last Glacial Maximum. Eight bedrock and one boulder sample gave a combined arithmetic mean exposure age of 19.08 ± 0.80 ka (4.2%, 1σ). Similar exposure ages over a 320 m vertical range (824 to 581 m altitude) show that ice cap thinning was very rapid and spatially uniform. Using the same production rate and scaling scheme, we recalculated six published 10Be exposure ages from the nearby Arans, which also covered a similar elevation range from 608 to 901 m and obtained an arithmetic mean of 19.41 ± 1.45 ka (7.5%, 1σ). The average exposure age of all 15 accepted deglaciation ages is 19.21 ± 1.07 (5.6%, 1σ). The complete dataset from North Wales provides very strong evidence indicating that these summits became exposed as nunataks at 20–19 ka. This result provides important insight to the magnitude of ice surface lowering and behavior of the Welsh Ice Cap during the last deglaciation that can be compared to other ice masses that made up the British-Irish Ice Sheet.
Effort-Reward Imbalance and Post-Traumatic Stress After a Workplace Terror Attack
Authors: Hem Camilla , Nielsen Morten Birkeland , Hansen Marianne Bang , Heir Trond
Published: January 2016

Objective

Following adverse work conditions, health consequences can be explained by an imbalance between the effort made and the reward received. We investigated the association between extra effort, perceived reward, and post-traumatic stress disorder (PTSD). The Effort-Reward Imbalance Model was used to examine whether extra effort at work in the aftermath of a workplace-related terrorist attack affected the risk of PTSD and the effects of reward for extra effort from a leader or colleagues.

Methods

Cross-sectional data were collected 10 months after a terrorist attack in Norway in 2011. Out of 3520 Ministry employees invited, 1927 agreed to participate. Employees reported any extra effort performed as a result of the bomb explosion and any reward received from a leader or colleagues. PTSD was assessed with the PTSD Checklist.

Results

Employees who reported extra effort displayed increased risk for PTSD (odds ratio [OR]=1.71, 95% confidence interval [CI]: 1.15-2.55, P=0.008). Perceived reward for extra effort from a leader was associated with lower risk for PTSD (OR=0.39, 95% CI: 0.23-0.64, P<0.001) but not perceived reward from colleagues.

Conclusions

Extra effort may increase the risk of PTSD, but reward from a leader may mitigate this effect. The Effort-Reward Imbalance Model appears to be an appropriate approach that may contribute to understanding of the etiology of work-related PTSD. (Disaster Med Public Health Preparedness. 2016;10:219–224)
Injury Patterns After the Landslide Disaster in Oshima, Tokyo, Japan on October 16, 2013
Authors: Homma Yasuhiro , Watari Taiji , Baba Tomonori , Suzuki Misako , Shimizu Tadanori , Fujii Yuji , Takazawa Yuji , Maruyama Yuichiro , Kaneko Kazuo
Published: January 2016

Introduction

Landslides represent a frequent and threatening natural disaster. The aim of this study was to investigate the injury patterns observed after a landslide and to discuss how to minimize the damage caused by a landslide disaster.

Methods

A landslide occurred on Oshima Island, Japan, on October 16, 2013. A total of 49 victims with landslide-related injuries were identified and analyzed.

Results

The patients ranged in age from 5 to 89 years with an average age of 61.0±19.3 years. Of all patients, 69.4% were triaged as black. Of 15 patients who were treated in the nearest hospital (the only hospital on the island), 8 were triaged as red and yellow with severe chest or pelvic injury and a high Injury Severity Score (average score, 25.6; range, 4–45). Of these, 75% had chest injury and 75% had pelvic injury. The percentage of chest and/or pelvic injury was 100% in patients triaged as red or yellow. Traumatic asphyxia was diagnosed in 62.5% of these patients.

Conclusions

Compression of the trunk was the main injury in patients triaged as red or yellow after this landslide disaster. Evacuation in advance, the rapid launch of emergency medical support, and knowledge of this specific injury pattern are essential to minimize the potential damage resulting from landslide disasters. (Disaster Med Public Health Preparedness. 2016;10:248–252)
Vitamin D3 and 25-hydroxyvitamin D3 in pork and their relationship to vitamin D status in pigs
Authors: Burild Anders , Lauridsen Charlotte , Faqir Nasrin , Sommer Helle M. , Jakobsen Jette
Published: January 2016

The content of vitamin D in pork produced in conventional systems depends on the vitamin D concentration in the pig feed. Both vitamin D3 and 25-hydroxyvitamin D3 (25(OH)D3) are essential sources of dietary vitamin D; however, bioavailability assessed by serum 25(OH)D3 concentration is reported to be different between the two sources. Furthermore, the relationship between serum 25(OH)D3 level and the tissue content of vitamin D3 and 25(OH)D3 is unknown. The objective of this study was to investigate the potential of increasing the content of vitamin D in different pig tissues by increasing the levels of vitamin D3 and 25(OH)D3 in the pig feed for 49 d before slaughter. Concurrently, the 25(OH)D3 level in serum was investigated as a biomarker to assess the content of vitamin D3 and 25(OH)D3 in pig tissues. Adipose tissue, white and red muscle, the liver and serum were sampled from pigs fed feed containing either vitamin D3 or 25(OH)D3 at 5, 20, 35 or 50 µg/kg feed for 7 weeks before slaughter. The tissue 25(OH)D3 level was significantly higher in the pigs fed 25(OH)D3 compared with those fed vitamin D3, while the tissue vitamin D3 level was higher in the pigs fed vitamin D3 compared with those fed 25(OH)D3. The content of 25(OH)D3 in the different tissues fully correlated with the serum 25(OH)D3 level, whereas the correlation between the tissue content of vitamin D3 and serum 25(OH)D3 was dependent on the source of the ingested vitamin D3.
ARITHMETIC PROPERTIES OF INFINITE PRODUCTS OF CYCLOTOMIC POLYNOMIALS
Authors: BUNDSCHUH PETER , VÄÄNÄNEN KEIJO
Published: January 2016

We study transcendence properties of certain infinite products of cyclotomic polynomials. In particular, we determine all cases in which the product is hypertranscendental. We then use various results from Mahler’s transcendence method to obtain algebraic independence results on such functions and their values.
On Geodesics in Asymptotic Universal Teichmüller Space
Authors: Zemin Zhou , Jixiu Chen
Published: January 2016

Let AT(Δ) be the asymptotic universal Teichmüller space, viewed as the space of all asymptotic Teichmüller equivalence classes [[μ]]. We show that ifμis asymptotically extremal in AT(Δ) andhp([[μ]]) <h([[μ]]) for some boundary pointpofΔ, then there are infinitely many geodesics joining [[0]] and [[μ]] in AT(Δ). As a corollary, a necessary condition for a complex dilatation to be uniquely extremal in AT(Δ) is given.