bluuebunny/crossref_metadata_2025_split huggingface dataset:
Cyclohexane Ring as a Tool to Select the Presentation of the Carbohydrate Moiety in Glycosyl Amino Acids
Authors: Rodríguez Fernando , Somovilla Víctor J. , Corzana Francisco , Busto Jesús H. , Avenoza Alberto , Peregrina Prof Jesús M. 
Published: March 2012

AbstractThe design of mimic molecules that resemble natural products can be a useful tool to help understand the key aspects in molecular recognition processes that are difficult to access by using natural derivatives. We present the synthesis and the conformational analysis of different glucosylated diamide amino acids that simulate glycopeptides with β‐O‐linked glucose and contain the nonnatural β‐hydroxycyclohexane‐α‐amino acid. The study, using NMR experiments, X‐ray spectroscopy, and molecular dynamics simulations, reveals that the cyclohexane ring allows some naturally occurring ways of presentation of the carbohydrate to be fixed, or to stabilize some novel conformations. In addition, different chair conformations for the cyclohexane‐α‐amino acid moiety can be set, in particular, those with high population of conformers in which the bulky groups are located at axial positions. Moreover, to increase the scope of these cyclohexane derivatives, two dipeptides incorporating the glycomimics have been synthesized and further glycosylated to obtain the corresponding α‐O‐glycopeptides. These features can have important implications for the design of new drugs and for understanding the complex molecular processes that take place between glycopeptides and their biological targets.
ChemInform Abstract: ReO2Cl(S2O7), a Molecular Disulfate.
Authors: Betke Ulf , Dononelli Wilke , Kluener Thorsten , Wickleder Mathias S. 
Published: March 2012

AbstractThe title compound is synthesized from a solution of ReCl5 in oleum containing 65% SO3 (150 °C, 48 h).
ChemInform Abstract: Cr6+‐Containing Phases in the System CaO—Al2O3—CrO42‐—H2O at 23 °C.
Authors: Poellman Herbert , Auer Stephan 
Published: March 2012

AbstractThe new phases 3CaO·Al2O3·1/2CaCrO4 ·1/2Ca(OH)2·nH2O, 3CaO·Al2O3·CaCrO4 ·nH2O, and 3CaO·Al2O3·1/6CaCrO4 ·5/6Ca(OH)2·nH2O are identified in the title system.
ChemInform Abstract: Mn(I) in an Extended Oxide: The Synthesis and Characterization of La1‐xCaxMnO2+δ (0.6 ≤ x ≤ 1).
Authors: Dixon Edward , Hadermann Joke , Ramos Silvia , Goodwin Andrew L. , Hayward Michael A. 
Published: March 2012

AbstractThe title materials are prepared by solid state reduction of La1‐xCaxMnO3 with NaH (210 °C, 168 h).
ChemInform Abstract: Synthesis, Crystal Chemistry and Magnetism of the Metal‐Rich Borides MxRh7‐xB3 (M: Cr, Mn, Ni; x = 0.39—1) with Th7Fe3‐Type Structure.
Authors: Misse Patrick R. N. , Dronskowski Richard , Fokwa Boniface P. T. 
Published: March 2012

AbstractThe title compounds are synthesized by arc‐melting of the elements and characterized by powder XRD and single crystal XRD of Cr0.78Rh6.22B3 and Mn0.39Rh6.61B3.
ChemInform Abstract: Friedel—Crafts‐Type Alkylation with Bromodifluoro(phenylsulfanyl)methane Through α‐Fluorocarbocations: Syntheses of Thioesters, Benzophenones and Xanthones.
Authors: Kuhakarn Chutima , Surapanich Nakin , Kamtonwong Siriporn , Pohmakotr Manat , Reutrakul Vichai 
Published: March 2012

AbstractThioether (II) is applied as synthetic equivalent of thioester cation PhS‐CO+ and geminal carbonyl dication CO2+ in the Friedel—Crafts alkylation of a variety of activated aromatic compounds (12 examples).
ChemInform Abstract: Conjugate Addition of Arylboronic Acids to α,β‐Unsaturated Carbonyl compounds in Aqueous Medium Using Pd(II) Complexes with Dihydroxy‐2,2′‐bipyridine Ligands: Homogeneous or Heterogeneous Nano‐Catalysis?
Authors: Tomas‐Mendivil Eder , Diez Josefina , Cadierno Victorio 
Published: March 2012

AbstractA new green palladium catalytic system (I) for the conjugate addition of aryl boronic acids to α,β‐unsaturated carbonyl compounds in water under air is developed.
ChemInform Abstract: Asymmetric Synthesis of Highly Functionalized Cyclopentanes by a Rhodium‐ and Scandium‐Catalyzed Five‐Step Domino Sequence.
Authors: Parr Brendan T. , Li Zhanjie , Davies Huw M. L. 
Published: March 2012

AbstractHighly functionalized cyclopentanes with four new stereogenic centers are synthesized and obtained as single diastereomers by the present new method involving five distinct steps.
ChemInform Abstract: Transition Metal‐Free TEMPO‐Catalyzed Oxidative Cross‐Coupling of Nitrones with Alkynyl‐Grignard Reagents.
Authors: Murarka Sandip , Studer Armido 
Published: March 2012

AbstractTreatment of nitrones with alkynyl Grignard reagent in the presence of stoichiometric or catalytic amounts of TEMPO allows an efficient access to alkynylated nitrones.
ChemInform Abstract: Carbohydrate‐Based Pseudo‐Dipeptides: New Ligands for the Highly Enantioselective Ru‐Catalyzed Transfer Hydrogenation Reaction.
Authors: Coll Mercedes , Pamies Oscar , Adolfsson Hans , Dieguez Montserrat 
Published: March 2012

AbstractRuthenium‐complexes of novel carbohydrate based pseudo‐dipeptide ligands selectively catalyze the reduction of aryl‐alkyl ketones (I) under transfer‐hydrogenation conditions.
ChemInform Abstract: Palladium‐Catalyzed C—H Acetoxylation of 2‐Methoxyimino‐2‐aryl‐acetates and Acetamides.
Authors: Wang Liang , Xia Xu‐Dong , Guo Wei , Chen Jia‐Rong , Xiao Wen‐Jing 
Published: March 2012

AbstractThe direct C—H acetoxylation of the title compounds affords the oxidative coupling products in moderate to good yields.
ChemInform Abstract: Room‐Temperature Synthesis of Tetra‐ortho‐Substituted Biaryls by NHC‐Catalyzed Suzuki—Miyaura Couplings.
Authors: Wu Linglin , Drinkel Emma , Gaggia Fiona , Capolicchio Samanta , Linden Anthony , Falivene Laura , Cavallo Luigi , Dorta Reto 
Published: March 2012

AbstractThe new NHC ligand with appropriately substituted naphthyl side chains is able to perform the Suzuki—Miyaura coupling to form bulky tetra‐ortho‐substituted biaryls from aryl bromides and chlorides.
ChemInform Abstract: Enantioselective Rhodium‐Catalyzed Arylation of Electron‐Deficient Alkenylarenes.
Authors: Saxena Aakarsh , Lam Hon Wai 
Published: March 2012

AbstractA novel dibenzylamide‐containing chiral diene ligand is used in enantioselective arylation reactions of several β‐substituted nitroarenes with arylboronic acids (II).
ChemInform Abstract: Synthesis of Rare Earth Catalysts and Their Applications for Enantioselective Synthesis of Heterocyclic β‐Amino Alcohols.
Authors: Martin Myriam , El Hellani Ahmad , Yang Jing , Collin Jacqueline , Bezzenine‐Lafollee Sophie 
Published: March 2012

AbstractThe new complexes are efficient catalysts for the asymmetric aminolysis of heterocyclic epoxides.
ChemInform Abstract: Bicyclization of Isocyanides: A Synthetic Strategy for Fused Pyrroles.
Authors: Zhang Lingjuan , Xu Xianxiu , Xia Wenming , Liu Qun 
Published: March 2012

AbstractTreatment of ketene dithioacetals of type (I) and (IV) with tosylmethyl isocyanides allows a simple, new, and mild access to cyclopentapyrroles like (III) and (V).
ChemInform Abstract: Organocatalytic Synthesis of 1,2,3‐Triazoles from Unactivated Ketones and Arylazides.
Authors: Belkheira Mokhtaria , El Abed Douniazad , Pons Jean‐Marc , Bressy Cyril 
Published: March 2012

AbstractAn organocatalytic version to Huisgen′s metal‐catalyzed triazole synthesis is described using unactivated ketones and arylazides as the substrates and proline as an organocatalyst.
ChemInform Abstract: Iron‐Catalyzed C—H Bond Activation for the ortho‐Arylation of Aryl Pyridines and Imines with Grignard Reagents.
Authors: Yoshikai Naohiko , Asako Sobi , Yamakawa Takeshi , Ilies Laurean , Nakamura Eiichi 
Published: March 2012

AbstractTitle reactions proceed with complete ortho‐selectivity in the presence of an iron—diamine catalyst and dichloro‐2‐methylpropane as an oxidant under mild conditions within short reaction times.
ChemInform Abstract: Asymmetric Organocatalytic Intramolecular Aza‐Michael Addition of Enone Carbamates: Catalytic Enantioselective Access to Functionalized 2‐Substituted Piperidines.
Authors: Liu Jian‐Dong , Chen Ying‐Chun , Zhang Guo‐Biao , Li Zhi‐Qiang , Chen Peng , Du Ji‐Yuan , Tu Yong‐Qiang , Fan Chun‐An 
Published: March 2012

AbstractA new, highly enantioselective approach to a number of 2‐functionalized piperidines as well as pyrrolidines and oxazolidines is reported.
ChemInform Abstract: Synthesis and Biological Activity of New Bispyridinium Salts of 4,4′‐Bispyridyl‐5, 5′‐Perfluoroalkyl‐2,2′‐bisoxazoles.
Authors: Martin‐Cantalejo Y. , Saez B. , Monterde M. I. , Murillo M. T. , Brana M. F. 
Published: March 2012

AbstractThe compounds (III) are tested for their antiproliferative activity against HT‐29 and their inhibitory activity against choline kinase.
ChemInform Abstract: A Selective Intramolecular 5‐exo‐Dig or 6‐endo‐Dig Cyclization en Route to 2‐Furanone or 2‐Pyrone Containing Tricyclic Scaffolds.
Authors: Bengtsson Christoffer , Almqvist Fredrik 
Published: March 2012

AbstractIn the presence of Pd(OAc)2/dppp, thiazolopyridinones of type (I) bearing a terminal alkyne unit are found to undergo selective 5‐exo‐dig cyclization to afford tricyclic furanones like (II).
ChemInform Abstract: Highly Enantioselective γ‐Amination of α,β‐Unsaturated Acyl Chlorides with Azodicarboxylates: Efficient Synthesis of Chiral γ‐Amino Acid Derivatives.
Authors: Shen Li‐Tao , Sun Li‐Hui , Ye Song 
Published: March 2012

AbstractThe title quinidine‐catalyzed reaction of cyclic or acyclic acyl chlorides affords dihydropyridazinones with high enantioselectivities, which can be converted into γ‐amino amides or acids by reductive ring opening without loss of enantioselectivity.
ChemInform Abstract: Broensted Acid Promoted Sequential Hydroarylation—Hydroamidation of Arene‐Tethered 1‐(2‐Alkynylphenyl)ureas: Direct Access to 4,4‐Spiro‐3,4‐dihydro‐2‐(1H)‐quinazolinones.
Authors: Wang Honggen , Zhao Jiaji , Zhang Jiancun , Zhu Qiang 
Published: March 2012

AbstractAn intermolecular reaction is also possible which provides 4,4‐disubstituted dihydroquinazolinones like (XII).
ChemInform Abstract: Biomimetic Asymmetric Hydrogenation: In situ Regenerable Hantzsch Esters for Asymmetric Hydrogenation of Benzoxazinones.
Authors: Chen Qing‐An , Chen Mu‐Wang , Yu Chang‐Bin , Shi Lei , Wang Duo‐Sheng , Yang Yan , Zhou Yong‐Gui 
Published: March 2012

AbstractA number of dihydrobenzoxazinones can be prepared in high yields with excellent enantioselectivity.
ChemInform Abstract: Facile Synthesis of β,β′‐Diketophosphine Sulfides from Imines and Lawesson′s Reagent.
Authors: Slimani Hosni , Touil Soufiane 
Published: March 2012

AbstractThe general procedure can be applied to acyclic and cyclic imines to form the synthetically and biologically interesting phosphorus components in good to excellent yields.
ChemInform Abstract: Magnetic Refrigeration: Phase Transitions, Itinerant Magnetism and Spin Fluctuations
Authors: Morrison K. , Lyubina J. , Moore J. D. , Sandeman K. G. , Gutfleisch O. , Cohen L. F. , Caplin A. D. 
Published: March 2012

AbstractReview: emphasis on intermetallics based on La(Fe,Si)13; 31 refs.
ChemInform Abstract: Azacycloalkanes from Epoxides and Aziridines
Authors: Kas'yan L. I. , Pal'chikov V. A. , Bondarenko Ya. S. 
Published: March 2012

AbstractReview: methods for the preparation of azetidines, pyrrolidines, piperidines from epoxides and aziridines and application of azacycloalkanes in medical and organic chemistry as biologically active substances; 275 refs.
Temperature Dependence of the Dielectric Permittivity of Acetic Acid, Propionic Acid and Their Methyl Esters: A Molecular Dynamics Simulation Study
Authors: Riniker Sereina , Horta Bruno A. C. , Thijssen Bram , Gupta Saumya , van Gunsteren Wilfred F. , Hünenberger Philippe H. 
Published: March 2012

AbstractFor most liquids, the static relative dielectric permittivity is a decreasing function of temperature, because enhanced thermal motion reduces the ability of the molecular dipoles to orient under the effect of an external electric field. Monocarboxylic fatty acids ranging from acetic to octanoic acid represent an exception to this general rule. Close to room temperature, their dielectric permittivity increases slightly with increasing temperature. Herein, the causes for this anomaly are investigated based on molecular dynamics simulations of acetic and propionic acids at different temperatures in the interval 283–363 K, using the GROMOS 53A6OXY force field. The corresponding methyl esters are also considered for comparison. The dielectric permittivity is calculated using either the box‐dipole fluctuation (BDF) or the external electric field (EEF) methods. The normal and anomalous temperature dependences of the permittivity for the esters and acids, respectively, are reproduced. Furthermore, in the EEF approach, the response of the acids to an applied field of increasing strength is found to present two successive linear regimes before reaching saturation. The low‐field permittivity ε, comparable to that obtained using the BDF approach, increases with increasing temperature. The higher‐field permittivity ε′ is slightly larger, and decreases with increasing temperature. Further analyses of the simulations in terms of radial distribution functions, hydrogen‐bonded structures, and diffusion properties suggest that increasing the temperature or the applied field strength both promote a relative population shift from cyclic (mainly dimeric) to extended (chain‐like) hydrogen‐bonded structures. The lower effective dipole moment associated with the former structures compared to the latter ones provides an explanation for the peculiar dielectric properties of the two acids compared to their methyl esters.
DDRP: An efficient data‐driven routing protocol for wireless sensor networks with mobile sinks
Authors: Shi Lei , Zhang Baoxian , Mouftah Hussein T. , Ma Jian 
Published: March 2012

SUMMARYIntroduction of mobile sinks into a wireless sensor network can largely improve the network performance. However, sink mobility can cause unexpected changes of network topology, which may bring excessive protocol overhead for route maintenance and may offset the benefit from using mobile sinks. In this paper, we propose an efficient data‐driven routing protocol (DDRP) to address this problem. The design objective is to effectively reduce the protocol overhead for data gathering in wireless sensor networks with mobile sinks. DDRP exploits the broadcast feature of wireless medium for route learning. Specifically, each data packet carries an additional option recording the known distance from the sender of the packet to target mobile sink. The overhearing of transmission of such a data packet will gratuitously provide each listener a route to a mobile sink. Continuous such route‐learning among nodes will provide fresh route information to more and more nodes in the network. When no route to mobile sink is known, random walk routing simply is adopted for data packet forwarding. Simulation results show that DDRP can achieve much lower protocol overhead and longer network lifetime as compared with existing work while preserving high packet delivery ratio. Copyright © 2012 John Wiley & Sons, Ltd.
Influence of the inlet load, EBRT and mineral medium addition on spore emission by Fusarium solani in the fungal biofiltration of hydrophobic VOCs
Authors: Vergara‐Fernández Alberto , Hernández Sergio , Muñoz Raúl , Revah Sergio 
Published: March 2012

AbstractBACKGROUND: The effect of the inlet n‐pentane load (IL), empty bed residence time (EBRT) and mineral medium (MM) addition on spore emission and elimination capacity (EC) was evaluated using the fungus Fusarium solani in a vermiculite‐based biofilter.RESULTS: When the process was operated at an EBRT of 3.7 min and an IL of 100 g m$_{\rm {reactor}}^{-3}$ h−1, the weekly addition of MM from 6.8 to 13.6 mLMM L$_{\rm {vermiculite}}^{-1}$ resulted in fluctuacting dynamics of ECs and spore emission.When varying the n‐pentane IL from 25 to 875 g m$_{\rm {reactor}}^{-3}$ h−1, a maximum EC of 110 g m$_{\rm {reactor}}^{-3}$ h−1 associated with a spore emission of 1.8 × 104 CFU m$_{\rm {air}}^{-3}$ was recorded. The critical inlet load for 90% n‐pentane removal was 50 g m$_{\rm {reactor}}^{-3}$ h−1 with spore emission 4.5 × 103 CFU m$_{\rm {air}}^{-3}$. Finally, when the EBRT was decreased from 3.7 to 2.1 min at a constant n‐pentane IL of 50 g m$_{\rm {reactor}}^{-3}$ h−1 the EC decreased by 110%.CONCLUSIONS: The results show a poor performance of the n‐pentane biofiltration system at high IL and low EBRT, which was further confirmed by the low final biomass concentrations in the biofilter (62 mgbiomass g$_{\rm {vermiculite}}^{-1}$). Copyright © 2012 Society of Chemical Industry
Quantification of pulmonary microcirculation by dynamic contrast‐enhanced magnetic resonance imaging: Comparison of four regularization methods
Authors: Salehi Ravesh M. , Brix G. , Laun F. B. , Kuder T. A. , Puderbach M. , Ley‐Zaporozhan J. , Ley S. , Fieselmann A. , Herrmann M. F. , Schranz W. , Semmler W. , Risse F. 
Published: March 2012

AbstractTissue microcirculation can be quantified by a deconvolution analysis of concentration–time curves measured by dynamic contrast‐enhanced magnetic resonance imaging. However, deconvolution is an ill‐posed problem, which requires regularization of the solutions. In this work, four algebraic deconvolution/regularization methods were evaluated: truncated singular value decomposition and generalized Tikhonov regularization (GTR) in combination with the L‐curve criterion, a modified LCC (GTR‐MLCC), and a response function model that takes a‐priori knowledge into account. To this end, dynamic contrast‐enhanced magnetic resonance imaging data sets were simulated by an established physiologically reference model for different signal‐to‐noise ratios and measured on a 1.5‐T system in the lung of 10 healthy volunteers and 20 patients. Analysis of both the simulated and measured dynamic contrast‐enhanced magnetic resonance imaging datasets revealed that GTR in combination with the L‐curve criterion does not yield reliable and clinically useful results. The three other deconvolution/regularization algorithms resulted in almost identical microcirculatory parameter estimates for signal‐to‐noise ratios > 10. At low signal‐to‐noise ratios levels (<10) typically occurring in pathological lung regions, GTR in combination with a modified L‐curve criterion approximates the true response function much more accurately than truncated singular value decomposition and GTR in combination with response function model with a difference in accuracy of up to 76%. In conclusion, GTR in combination with a modified L‐curve criterion is recommended for the deconvolution of dynamic contrast‐enhanced magnetic resonance imaging curves measured in the lung parenchyma of patients with highly heterogeneous signal‐to‐noise ratios. Magn Reson Med, 2013. © 2012 Wiley Periodicals, Inc.
Probiotika bei Reizdarmsyndrom
Authors: Krammer Heiner , Bluhm Markus 
Published: March 2012

AbstractDas Reizdarmsyndrom (RDS) zählt zu den häufigsten gastroenterologischen Krankheitsbildern mit einer Prävalenz in Deutschland von ca. 12,5 %. Charakterisiert wird das RDS durch abdominelle Schmerzen, Meteorismus, Flatulenz, sowie eine veränderte Stuhlfrequenz und Stuhlkonsistenz.
A case study of a large patch of billows surmounted by elevated convection
Authors: Browning K. A. , Marsham J. H. , White B. A. , Nicol J. C. 
Published: March 2012

AbstractA region of large‐amplitude Kelvin‐Helmholtz billows, of area 2000 km2, was observed in a region of moderate rain at the rear of a mesoscale convective system on a day during the Convective Storm Initiation Project in southern England. The mesoscale convective system (MCS) was characterized by elevated convection above a layer of cool air, separated by a sloping statically stable layer characterized by strong wind shear. Doppler radar observations showed that the large patch of billows was situated within this shear layer and that it persisted over the 2 h period of observation, maintaining its position with respect to the MCS and producing surface pressure perturbations of ±0.3 hPa. Potentially unstable air above the sloping shear layer reached its level of free convection while ascending above this layer. The resulting elevated convection was in the form of cells whose spacing appeared to be influenced by the underlying billows. Results from large‐eddy model simulations are shown to support the hypothesis that, although the large‐scale ascent alone would have triggered the elevated convection, the billows exerted a secondary forcing effect on the convection. Copyright © 2012 Royal Meteorological Society
Traumatic Aortic Injuries Associated with Major Visceral Vascular Injuries in Major Blunt Trauma Patients
Authors: Mosquera Victor X. , Marini Milagros , Cao Ignacio , Gulías Daniel , Muñiz Javier , Herrera‐Noreña José M. , Cuenca José J. 
Published: March 2012

AbstractBackgroundThe objectives of this study were to report the clinical and radiological characteristics and outcomes of a series of acute traumatic aortic injuries (ATAIs) with associated injury to major aortic abdominal visceral branches (MAAVBs).MethodsFrom January 2000 to August 2011, 10 consecutive major blunt trauma patients with associated ATAI and injury to MAAVBs (group A) and 42 major blunt trauma patients presenting only an ATAI without MAAVB injuries (group B) were admitted to our institution.ResultsOverall in‐hospital mortality was 32.7%. In‐hospital mortality in group A was 40% and in group B it was 31% (p = 0.86). Observed in‐hospital mortality was slightly lower than the expected in‐hospital mortality in both groups. Mean peak creatine phosphokinase was significantly higher in group A than in group B patients (23,008 ± 33,400 vs. 3,970 ± 3,495 IU/L; p < 0.001). Acute renal injury occurred in 50% of group A and in 26.2% of group B patients. Hemodiafiltration was required in 30% of group A and in 9.5% of group B patients. Median follow‐up time was 64 months (range = 1–130 months). Group A survival was 60% at 1, 5 and 10 years. Group B survival was 69% at 1 year and 63.3% at 5 and 10 years (p = 0.15).ConclusionsAortic injuries associated with MAAVB injuries in major trauma patients seem to present in a different clinical scenario. These patients present increased risk of rhabdomyolysis, visceral ischemia, and acute renal failure, as well as higher in‐hospital mortality. A multidisciplinary approach combining endovascular and open surgical techniques for a staged treatment of these life‐threatening aortic and MAAVB injuries is mandatory in this critical subset of trauma patients.