bluuebunny/crossref_metadata_2025_split huggingface dataset:
Asymmetric Rhodamine‐Based Fluorescent Probe for Multicolour In Vivo Imaging
Authors: Iwatate Ryu J. , Kamiya Mako , Urano Yasuteru 
Published: January 2016

AbstractTo achieve rapid and sensitive detection of cancer, activatable fluorescent probes targeting proteases that are overexpressed in various types of cancer have been developed, based on the hydroxymethyl rhodamine green (HMRG) scaffold. However, to visualize altered activities of multiple enzymes in cancer sites, other scaffolds with distinct fluorescence properties from those of HMRG are needed. A novel asymmetrically modified rhodamine with suitable absorption/emission, brightness and equilibrium constant of intramolecular spirocyclization, working in the yellow/orange region, is introduced. As a proof of concept, a probe targeting γ‐glutamyl transpeptidase (gGlu‐HMJCR) was developed on the basis of the new scaffold. Simultaneous visualization and discrimination of tumours expressing γ‐glutamyl transpeptidase (with gGlu‐HMJCR) and cathepsins (with Z‐Phe‐Arg‐HMRG) by colour were achieved in a mouse model in vivo.
Mechanistic Investigations into the Application of Sulfoxides in Carbohydrate Synthesis
Authors: Fascione Martin A. , Brabham Robin , Turnbull W. Bruce 
Published: January 2016

AbstractThe 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

AbstractThe 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

AbstractWe 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

AbstractEasily 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

AbstractSingle‐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

AbstractPhotolysis 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

AbstractHigh‐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

AbstractDFT (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

AbstractThe 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

AbstractLi4Ti5O12(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

AbstractPorous 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: 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

AbstractThe 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

AbstractCompounds (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

AbstractOrganocatalysts (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

AbstractUsing 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

AbstractThe 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

AbstractThis 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

AbstractThis 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

AbstractThe 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

Abstracto‐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

AbstractA 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

AbstractThis 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

AbstractA 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

AbstractBoth 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

AbstractThe 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

AbstractA 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

AbstractTwenty‐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

AbstractDiamine‐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

AbstractThe 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

AbstractThe 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

AbstractThree 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.
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

SummaryThe 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

SummaryCloud 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

SummaryA 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

SUMMARYThe 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.