bluuebunny/crossref_metadata_2025_split huggingface dataset:
ChemInform Abstract: Palladium(0)‐Mediated Cyclization‐Coupling of β,γ‐Unsaturated Oximes and Aryl Iodides.
Authors: Mikesell Joshua , Mosher Michael D. 
Published: June 2016

AbstractThe tandem Pd(0)‐mediated nucleometalation ‐ cross coupling of unsaturated oximes (I) and aryl iodides (II) is shown to provide 3,5‐disubstituted 2‐isoxazolines (III) in varying yields.
ChemInform Abstract: Synthesis of 2‐Amino‐substituted‐1,3,4‐thiadiazoles via 2,3‐Dichloro‐5,6‐dicyano‐1,4‐benzoquinone (DDQ) Mediated Intramolecular C—S Bond Formation in Thiosemicarbazones.
Authors: Singh Sarangthem Joychandra , Rajamanickam Suresh , Gogoi Anupal , Patel Bhisma K. 
Published: June 2016

AbstractAn intramolecular cyclization of thiosemicarbazones (I) using DDQ is developed to afford a series of 2‐amino‐substituted‐1,3,4‐thiadiazoles (II) in moderate to good yields.
ChemInform Abstract: Synthesis of Isocoumarins via Silver(I)‐Mediated Annulation of Enol Esters.
Authors: Panda Niranjan , Mishra Priyadarshini , Mattan Irshad 
Published: June 2016

AbstractDMAP and AgOAc are used as mild promoters for the cyclization of enol esters (I) to 4‐carbonyl substituted coumarins.
ChemInform Abstract: Sequential Mukaiyama—Michael Reaction Induced by Carbon Acids.
Authors: Yanai Hikaru , Kobayashi Osamu , Takada Kenji , Isono Takuya , Satoh Toshifumi , Matsumoto Takashi 
Published: June 2016

AbstractA strong C—H acidic compound (TCA) is described as catalyst for the sequential Mukaiyama—Michael aldol reaction of α‐pyrone derivatives with the silyl ketene acetal (II) and ketones or different α,β‐unsaturated ketones.
ChemInform Abstract: Substrate‐Controlled, One‐Pot Synthesis: Access to Chiral Chroman‐2‐one and Polycyclic Derivatives.
Authors: Sun Xue‐Li , Chen Ying‐Han , Zhu Dan‐Yang , Zhang Yan , Liu Yan‐Kai 
Published: June 2016

AbstractThe asymmetric reductive reaction of 2‐hydroxycinnamaldehydes (I) with aroylacrylic esters (II) leads to intermediate chroman‐2‐ols, which are oxidized with PCC to chroman‐2‐ones (III) or cyclized with TosOH to tricyclic γ‐lactones (IV).
ChemInform Abstract: Sequential Multicomponent Synthesis of Highly Functionalized Pyridin‐2(1H)‐one Derivatives.
Authors: Seixas Raquel S. G. R. , Ribeiro Gustavo C. , Guieu Samuel , Silva Artur M. S. 
Published: June 2016

AbstractA three‐component reaction of 2‐formyl‐chromenes (I) with Meldrum′s acid and primary amines affords pyridin‐2(1H)‐ones (IV) or the corresponding non‐decarboxylated products (V) depending on the reaction conditions.
ChemInform Abstract: Copper‐Catalyzed Regioselective C—H Sulfonylation of 8‐Aminoquinolines
Authors: Wei Jun , Jiang Jingxing , Xiao Xinsheng , Lin Dongen , Deng Yuanfu , Ke Zhuofeng , Jiang Huanfeng , Zeng Wei 
Published: June 2016

Abstractvia bidentate‐chelation assistance
ChemInform Abstract: Metal‐Free Radical Haloazidation of Benzene‐Tethered 1,7‐Enynes Leading to Polyfunctionalized 3,4‐Dihydroquinolin‐2(1H)‐ones.
Authors: Wang Ai‐Fang , Zhu Yi‐Long , Wang Shu‐Liang , Hao Wen‐Juan , Li Guigen , Tu Shu‐Jiang , Jiang Bo 
Published: June 2016

AbstractA novel uncatalyzed three‐component cascade haloazidation of enynes of type (I), (III), and (V) with NXS and TmsN3 is described to give dihydroquinolinone derivatives by using PIDA as oxidant.
ChemInform Abstract: Modular Copper‐Catalyzed Synthesis of Chromeno[4,3‐b]quinolines with the Utilization of Diaryliodonium Salts.
Authors: Aradi Klara , Bombicz Petra , Novak Zoltan 
Published: June 2016

AbstractThe title chromenoquinolines are prepared by a novel copper‐catalyzed oxidative ring closure ‐arylation concept utilizing arylpropynyloxy‐benzonitriles and diaryliodinium salts.
ChemInform Abstract: Synthesis of Pyrido‐Fused Quinazolinone Derivatives via Copper‐Catalyzed Domino Reaction.
Authors: Liu Meilin , Shu Miaomiao , Yao Chaochao , Yin Guodong , Wang Dunjia , Huang Jinkun 
Published: June 2016

AbstractThe copper‐catalyzed reaction of isatins (I) with 2‐bromopyridines (II) leads to a variety of pyrido‐fused quinazolinones (III).
ChemInform Abstract: Ruthenium‐Catalyzed C—C Bond Cleavage of 2H‐Azirines: A Formal [3 + 2 + 2] Cycloaddition to Fused Azepine Skeletons.
Authors: Li Tengfei , Xu Fen , Li Xincheng , Wang Chunxiang , Wan Boshun 
Published: June 2016

AbstractThe presented approach features an unprecedented ruthenium‐catalyzed C—C bond cleavage of 2H‐azirines at room temperature which allows access to N‐containing seven‐membered rings via reactions with diynes.
ChemInform Abstract: Transition‐Metal‐Free Regioselective Synthesis of Alkylboronates from Arylacetylenes and Vinyl Arenes.
Authors: Yang Kai , Song Qiuling 
Published: June 2016

AbstractVarious alkylboronates are synthesized starting either from arylacetylenes or vinyl arenes by reaction with bis(pinacolato)diboron (II).
ChemInform Abstract: C(sp3)—P versus C(sp2)—P Bond Formation: Catalyst‐Controlled Highly Regioselective Tandem Reaction of Ene‐Yne‐Ketones with H‐Phosphonates.
Authors: Yu Yue , Yi Songjian , Zhu Chuanle , Hu Weigao , Gao Bingjie , Chen Yang , Wu Wanqing , Jiang Huanfeng 
Published: June 2016

AbstractVarious phosphorylated furans are prepared regioselectively via a Cu‐catalyzed C(sp3)—P or base‐promoted C(sp2)—P bond formation, involving 5‐exo‐dig cyclization, carbene migration insertion, and Michael addition.
ChemInform Abstract: A Chemoenzymatic Route to Prepare Acyclic Nucleoside Analogues
Authors: Palazzolo Martin A. , Nigro Mariano J. , Iribarren Adolfo M. , Lewkowicz Elizabeth Sandra 
Published: June 2016

Abstractinvolving an aldol condensation of aldehydes of various nucleobases catalyzed by a dihydroxyacetone phosphate‐dependent aldolase (rabbit muscle aldolase)
ChemInform Abstract: Synthesis of Acyclic Selenonucleoside Phosphonates as Potential Antiviral Agents.
Authors: Sahu Pramod K. , Kim Gyudong , Nayak Akshata , Ahn Ji Yoon , Ha Min Woo , Park Cheonhyoung , Yu Jinha , Park Hyeung‐geun , Jeong Lak Shin 
Published: June 2016

AbstractThe synthesis of the selena‐analogue (III) of known antiviral agent Adefovir (IV) is described.
ChemInform Abstract: Furanolabdanoid‐Based 1,2,4‐Oxadiazoles: Synthesis and Cytotoxic Activity.
Authors: Mironov Maxim E. , Pokrovsky Mikhail A. , Kharitonov Yurii V. , Shakirov Makhmut M. , Pokrovsky Andrey G. , Shults Elvira E. 
Published: June 2016

AbstractSeveral 15,16‐epoxy‐8,13,14‐labdatriene derivatives are obtained via multistep synthesis from formyl derivatives of the diterpenoid lambertianic acid.
ChemInform Abstract: New Antibacterial Isocoumarin Glycosides from a Wetland Soil Derived Fungal Strain Metarhizium anisopliae.
Authors: Tian Jie‐Feng , Li Peng‐Ju , Li Xiao‐Xia , Sun Ping‐Hua , Gao Hao , Liu Xing‐Zhong , Huang Peng , Tang Jin‐Shan , Yao Xin‐Sheng 
Published: June 2016

AbstractEight new isocoumarin glycosides (Ia‐d), (II), (III), (IVa), and (IVb) are isolated from the wetland soil‐derived fungal strain Metarhizium anisopliae.
ChemInform Abstract: Peganumine B‐I and Two Enantiomers: New Alkaloids from the Seeds of Peganum harmala Linn. and Their Potential Cytotoxicity and Cholinesterase Inhibitory Activities.
Authors: Yang Ya‐di , Cheng Xue‐mei , Liu Wei , Han Zhu‐zhen , Chou Gui‐xin , Wang Ying , Sun Du‐xin , Wang Zheng‐tao , Wang Chang‐hong 
Published: June 2016

AbstractPeganumine B‐I and two enantiomers are isolated.
ChemInform Abstract: Acremonidins F—H and Acremoxanthones F—G, Antimicrobial Substances from the Insect fungus Verticillium sp. BCC33181.
Authors: Intaraudom Chakapong , Bunbamrung Nantiya , Dramae Aibrohim , Boonyuen Nattawut , Komwijit Somjit , Rachtawee Pranee , Pittayakhajonwut Pattama 
Published: June 2016

AbstractFive new anthraquinone‐xanthone heterodimers (I), (II), and (III) and a new xanthone derivative (IV) are isolated together with eight known compounds.
ChemInform Abstract: Coherence and Organisation in Lanthanoid Complexes: From Single Ion Magnets to Spin Qubits
Authors: Gaita‐Arino Alejandro , Prima‐Garcia Helena , Cardona‐Serra Salvador , Escalera‐Moreno Luis , Rosaleny Lorena E. , Baldovi Jose J. 
Published: June 2016

AbstractReview: 94 refs.
ChemInform Abstract: Quantum Tunneling of the Magnetization in [MnIII6M]3+ (M: CrIII, MnIII) SMMs: Impact of Molecular and Crystal Symmetry
Authors: Glaser Thorsten , Hoeke Veronika , Gieb Klaus , Schnack Juergen , Schroeder Christian , Mueller Paul 
Published: June 2016

AbstractReview: (SMM: single molecule magnet) emphasis on Mn and Mn/Cr heptanuclear triplesalen complexes; 143 refs.
ChemInform Abstract: 1H‐NMR as a Structural and Analytical Tool of Intra‐ and Inter‐Molecular Hydrogen Bonds of Phenol‐Containing Natural Products and Model Compounds
Authors: Charisiadis Pantelis , Kontogianni Vassiliki G. , Tsiafoulis Constantinos G. , Tzakos Andreas G. , Siskos Michael , Gerothanassis Ioannis P. 
Published: June 2016

AbstractReview: 75 refs.
Besser aromatisch als aliphatisch
Authors: Vogler Herbert 
Published: June 2016

AbstractIn den Labors der britischen Textilfirma Calico Printers Association stellten John Rex Whinfield und James Tennant Dickson vor 75 Jahren erstmals Fasern aus Polyethylenterephthalat her. Sie schufen damit die ersten wirtschaftlich erfolgreichen Polyesterfasern. Vorausgegangen waren Arbeiten des berühmten Faserchemikers Wallace Hume Carothers, der aber keine Fasern mit brauchbaren textilen Eigenschaften auffinden konnte. Carothes arbeitete mit aliphatischen Säuren, der Austausch dieser Säuren durch die aromatische Terephthalsäure führte zum Erfolg von Whinfield und Dickson. Die Entwicklung von großtechnisch einsetzbaren Verfahren zur Herstellung von Polyesterfasern erfolgte bei dem britischen Chemiekonzern ICI sowie bei der amerikanischen Firma Du Pont, die in den frühen 1950er Jahren die ersten Polyesterfasern auf den Markt brachten. Heute sind die Polyesterfasern die Synthesefasern mit den größten Produktionsmengen. Wichtigstes Herstellerland ist die Volksrepublik China.
Synthesis and Biological Evaluation of Gem‐Difluoromethylenated Statin Derivatives as Highly Potent HMG‐CoA Reductase Inhibitors
Authors: Zhao Zhao , Cui Jiaxin , Yin Yan , Zhang Heng , Liu Yecheng , Zeng Rui , Fang Chao , Kai Zhenpeng , Wang Zhonghua , Wu Fanhong 
Published: June 2016

AbstractHMG‐CoA reductase inhibitors were widely used as lipid‐lowing agents through effectively blocking the rate‐limiting step of cholesterol biosynthesis. 8 analogs of Rosuvastatin were firstly prepared with different distance and functional group between the O5‐hydroxyl group and terminal COOH group in the hydrophilic side‐chain. In primary and secondary screening of the inhibitory activities against human HMG‐CoA reductase, gem‐difluoromethylenated derivatives exhibited more than 50% inhibition rate. Then 4 compounds with gem‐difluoro group were further synthesized and evaluated in vitro, three compounds among them exhibited low single digital nmol/L IC50 values against HMG‐CoA reductase. Molecular docking also well explained the observed special contribution of the gem‐difluoro group.
Transversally enriched pipe element method (TEPEM): An effective numerical approach for blood flow modeling
Authors: Mansilla Alvarez Luis , Blanco Pablo , Bulant Carlos , Dari Enzo , Veneziani Alessandro , Feijóo Raúl 
Published: June 2016

SummaryIn this work, we present a novel approach tailored to approximate the Navier–Stokes equations to simulate fluid flow in three‐dimensional tubular domains of arbitrary cross‐sectional shape. The proposed methodology is aimed at filling the gap between (cheap) one‐dimensional and (expensive) three‐dimensional models, featuring descriptive capabilities comparable with the full and accurate 3D description of the problem at a low computational cost. In addition, this methodology can easily be tuned or even adapted to address local features demanding more accuracy. The numerical strategy employs finite (pipe‐type) elements that take advantage of the pipe structure of the spatial domain under analysis. While low order approximation is used for the longitudinal description of the physical fields, transverse approximation is enriched using high order polynomials. Although our application of interest is computational hemodynamics and its relevance to pathological dynamics like atherosclerosis, the approach is quite general and can be applied in any internal fluid dynamics problem in pipe‐like domains. Numerical examples covering academic cases as well as patient‐specific coronary arterial geometries demonstrate the potentialities of the developed methodology and its performance when compared against traditional finite element methods. Copyright © 2016 John Wiley & Sons, Ltd.
Silicon Nanocrystals: It's Simply a Matter of Size
Authors: Sun Wei , Qian Chenxi , Chen Kenneth K. , Ozin Geoffrey A. 
Published: June 2016

AbstractComposed of one of the most earth abundant, low cost and least toxic elements, silicon nanocrystals exhibit quantum and spatial confinement effects when their size is diminished to that of the exciton, around 5 nm. With the recent discovery of various means for synthesizing and separating silicon nanocrystals into narrow size distribution mono‐dispersions, it became possible for the first time to implement more deeply analytical studies of their size‐dependent chemical, physical and biological properties than was possible with poly‐dispersions. In this article we take a look at some recent studies of mono‐dispersions of silicon nanocrystals where it is apparent that size really matters. With this newfound knowledge we imagine the new directions that the field may take in the future. The topics covered include how silicon nanocrystal size is manifest on their (i) surface structure and reactivity, (ii) optical and electronic properties, (iii) chemical and photochemical stability, and (iv) biochemical and cytotoxicity behavior. The article concludes with a vision of what the future might hold for this important class of nanocrystals.
Mean Curvature Flow of Mean Convex Hypersurfaces
Authors: Haslhofer Robert , Kleiner Bruce 
Published: June 2016

In the last 15 years, White and Huisken‐Sinestrari developed a far‐reaching structure theory for the mean curvature flow of mean convex hypersurfaces. Their papers provide a package of estimates and structural results that yield a precise description of singularities and of high‐curvature regions in a mean convex flow.In the present paper, we give a new treatment of the theory of mean convex (and k‐convex) flows. This includes: (1) an estimate for derivatives of curvatures, (2) a convexity estimate, (3) a cylindrical estimate, (4) a global convergence theorem, (5) a structure theorem for ancient solutions, and (6) a partial regularity theorem.Our new proofs are both more elementary and substantially shorter than the original arguments. Our estimates are local and universal. A key ingredient in our new approach is the new noncollapsing result of Andrews [2]. Some parts are also inspired by the work of Perelman [32,33]. In a forthcoming paper [17], we will give a new construction of mean curvature flow with surgery based on the methods established in the present paper.Note added in May 2015. Since the first version of this paper was posted on arxiv in April 2013, the estimates have been used to construct mean convex flow with surgery in ℝ3 by Brendle and Huisken [5] in September 2013 and in another paper by the authors in April 2014.© 2016 Wiley Periodicals, Inc.
Use of Nuclear Spin Noise Spectroscopy to Monitor Slow Magnetization Buildup at Millikelvin Temperatures
Authors: Pöschko Maria Theresia , Peat David , Owers‐Bradley John , Müller Norbert 
Published: June 2016

AbstractAt ultralow temperatures, longitudinal nuclear magnetic relaxation times become exceedingly long and spectral lines are very broad. These facts pose particular challenges for the measurement of NMR spectra and spin relaxation phenomena. Nuclear spin noise spectroscopy is used to monitor proton spin polarization buildup to thermal equilibrium of a mixture of glycerol, water, and copper oxide nanoparticles at 17.5 mK in a static magnetic field of 2.5 T. Relaxation times determined in such a way are essentially free from perturbations caused by excitation radiofrequency pulses, radiation damping, and insufficient excitation bandwidth. The experimental spin‐lattice relaxation times determined on resonance by saturation recovery with spin noise detection are consistently longer than those determined by using pulse excitation. These longer values are in better accordance with the expected field dependence trend than those obtained by on‐resonance experiments with pulsed excitation.
Conformational Dynamics of the Single Lipopolysaccharide O‐Antigen in Solution
Authors: Galochkina Tatiana , Zlenko Dmitry , Nesterenko Alexey , Kovalenko Ilya , Strakhovskaya Marina , Averyanov Alexander , Rubin Andrey 
Published: June 2016

AbstractThe O‐antigen is the most variable and highly immunogenic part of the lipopolysaccharide molecule that covers the surface of Gram‐negative bacteria and makes up the first line of cellular defense. To provide insight into the details of the O‐antigen arrangement on the membrane surface, we simulated its behavior in solution by molecular dynamics. We developed the energetically favorable O‐antigen conformation by analyzing free‐energy distributions for its disaccharide fragments. Starting from this conformation, we simulated the behavior of the O‐antigen chain on long timescales. Depending on the force field and temperature, the single molecule can undergo reversible or irreversible coil‐to‐globule transitions. The mechanism of these transitions is related either to the rotation of the carbohydrate residues around O‐glycosidic bonds or to flips of the pyranose rings. We found that the presence of rhamnose in the O‐antigen chain crucially increases its conformational mobility.
Renewable Gasoline, Solvents, and Fuel Additives from 2,3‐Butanediol
Authors: Harvey Benjamin G. , Merriman Walter W. , Quintana Roxanne L. 
Published: June 2016

Abstract2,3‐Butanediol (2,3‐BD) is a renewable alcohol that can be prepared in high yield from biomass sugars. 2,3‐BD was selectively dehydrated in a solvent‐free process to a complex mixture of 2‐ethyl‐2,4,5‐trimethyl‐1,3‐dioxolanes and 4,5‐dimethyl‐2isopropyl dioxolanes with the heterogeneous acid catalyst Amberlyst‐15. The purified dioxolane mixture exhibited an anti‐knock index of 90.5, comparable to high octane gasoline, and a volumetric net heat of combustion 34 % higher than ethanol. The solubility of the dioxolane mixture in water was only 0.8 g per 100 mL, nearly an order of magnitude lower than the common gasoline oxygenate methyl tert‐butyl ether. The dioxolane mixture has potential applications as a sustainable gasoline blending component, diesel oxygenate, and industrial solvent.
Personality psychopathology differentiates risky behaviors among women with bulimia nervosa
Authors: Pearson Carolyn M. , Pisetsky Emily M. , Goldschmidt Andrea B. , Lavender Jason M. , Wonderlich Stephen A. , Crosby Ross D. , Engel Scott G. , Mitchell James E. , Crow Scott J. , Peterson Carol B. 
Published: June 2016

ABSTRACTObjectiveIndividuals with bulimia nervosa (BN) frequently endorse risky behaviors such as self‐harm and substance use. However, no studies of BN to date have examined factors associated with engaging in individual or co‐occurring risky behaviors. Given that individuals with BN often have personality psychopathology, which has been linked to symptoms and course of illness, this study sought to examine how personality may differentiate engagement in risky behaviors among BN individuals.MethodA sample of 133 women with BN completed self‐report measures of personality psychopathology at baseline, and then reported on bulimic and risky behaviors (e.g., substance misuse, self‐harm) over 2 weeks using ecological momentary assessment. A series of hierarchical multiple regression analyses were conducted to examine the unique associations between state‐level predictor variables (each risky behavior, e.g., substance misuse, and combination of risky behaviors, e.g., substance misuse plus self‐harm) and trait‐level personality constructs.ResultsSubstance misuse behavior, above and beyond all other risky behaviors, was significantly associated with higher scores on trait dissocial behavior (P = 0.004).DiscussionSubstance misuse in BN has a unique association with dissocial behavior, a personality trait characterized by hostility, impulsivity, and entitlement. These results suggest that targeting personality variables may help facilitate more effective treatment of risky behaviors, including substance use in BN. © 2016 Wiley Periodicals, Inc. (Int J Eat Disord 2016; 49:681–688)
A test for within‐lake niche differentiation in the nine‐spined sticklebacks (Pungitius pungitius)
Authors: Calboli Federico C. F. , Byström Pär , Merilä Juha 
Published: June 2016

AbstractSpecialization for the use of different resources can lead to ecological speciation. Accordingly, there are numerous examples of ecologically specialized pairs of fish “species” in postglacial lakes. Using a polymorphic panel of single nucleotide variants, we tested for genetic footprints of within‐lake population stratification in nine‐spined sticklebacks (Pungitius pungitius) collected from three habitats (viz. littoral, benthic, and pelagic) within a northern Swedish lake. Analyses of admixture, population structure, and relatedness all supported the conclusion that the fish from this lake form a single interbreeding unit.
Groundwater recharge decrease with increased vegetation density in the Brazilian cerrado
Authors: Oliveira Paulo Tarso S. , Leite Marcelo Boccia , Mattos Tiago , Nearing Mark A. , Scott Russell L. , de Oliveira Xavier Rafael , da Silva Matos Dalva Maria , Wendland Edson 
Published: June 2016

AbstractLarge areas of the Brazilian savanna (cerrado) have been converted into farmland in recent years; however, little attention has been paid to the consequences of this land use and land cover change on groundwater recharge. Here, we assessed groundwater recharge in different physiognomies of the cerrado located in an outcrop area of the Guarani Aquifer System. Water table fluctuations were measured from October 2011 through August 2013, by 58 monitoring wells distributed on four physiognomies of the undisturbed cerrado. We used multiple monitoring wells located in “campo limpo” (cerrado grassland), “campo sujo” (shrub cerrado), “campo cerrado” (open wooded cerrado), and “cerrado sensu stricto” (wooded cerrado), cover types. Recharge rates were computed for each well using the water table fluctuation method. The measured precipitation for hydrological years 2011–2012 and 2012–2013 were 1247 and 1194 mm, respectively. We found values of average annual recharge of 363 ± 87 mm, 354 ± 85 mm, 324 ± 78 mm, and 315 ± 76 mm for “campo limpo,” “campo sujo,” “campo cerrado,” and “cerrado sensu stricto,” respectively. Our results suggest that recharge tends to decrease with the increase in the density of vegetation (grassland to woodland). These results indicate that water table depth may have an influence on the cerrado physiognomies or vice versa. Furthermore, replacement of undisturbed dense cerrado with croplands will likely alter recharge dynamics. Therefore, sound management of land use and land cover is needed to ensure future groundwater quantity and quality.