bluuebunny/crossref_metadata_2025_split huggingface dataset:
Dimethylsilylaminophosphane heterocyclization of isothiocyanates to diazaphosphole‐thiones through zwitterionic intermediates
Authors: Petrov Petar Y. , Angelov Christo M. , McDonald Robert , Alexiev Alexi , Cavell Ronald G. 
Published: April 2010

AbstractIsothiocyanates react with Me2P‐N(SiMe3)2 with elimination of (Me3Si)2S to give new structurally characterized heterocyclic diazaphosphole derivatives, and in one case the intermediate zwitterionic compound was isolated and structurally characterized. © 2010 Wiley Periodicals, Inc. Heteroatom Chem 21:196–202, 2010; Published online in Wiley InterScience (www.interscience.wiley.com). DOI 10.1002/hc.20595
Three New Limonoids from the Leaves of Cipadessa cinerascens
Authors: Zhang Zhi‐Guo , Yao Kai , Hu Gui‐Lin , Zhang Ji 
Published: April 2010

AbstractThree new limonoids, cipadesins G–I (1–3), together with four known ones, were isolated from the leaves of Cipadessa cinerascens. Their structures were elucidated on the basis of 1D‐ and 2D‐NMR data.
Three New Monoterpene Alkaloids and a New Caffeic Acid Ester from Incarvillea mairei var. multifoliolata
Authors: Xing Ai‐Ting , Tian Jun‐Mian , Liu Chun‐Mei , Li Hui‐Liang , Zhang Wei‐Dong , Shan Lei 
Published: April 2010

AbstractThree new monoterpene alkaloids, mairine A (1), mairine B (2), and mairine C (3), and a new caffeic acid ester, 2‐(1‐hydroxy‐4,4‐dimethoxycyclohexyl)ethyl caffeate (4), were isolated from the EtOH extract of the whole plants of Incarvillea mairei var. multifoliolata. The structures of these compounds were established on the basis of 1D‐ and 2D‐NMR and HR‐ESI‐MS analysis.
Norlignans from Rhizomes of Curculigo sinensis
Authors: Li Ning , Wang Tian‐Ming , Wang Kai‐Jin , Zhao You‐Xing 
Published: April 2010

AbstractTwo novel norlignans, sinensigenins A and B (1 and 2, resp.), were isolated from the rhizomes of Curculigo sinensis, together with six known norlignans, crassifogenin B (3), cucapitoside (4), crassifoside B (5), crassifoside H (6), curculigine (7), and isocurculigine (8). Their structures were established on the basis of spectral evidence and comparisons with literature data. All of these compounds were isolated from this plant for the first time.
Two Novel 15(10→1)Abeomuurolane Sesquiterpenes from Cosmos sulphureus
Authors: Wu Jyh‐Horng , Chang Yi‐Fu , Tung Yu‐Tang , Tsuzuki Minoru , Izuka Akira , Wang Sheng‐Yang , Kuo Yueh‐Hsiung 
Published: April 2010

AbstractTwo novel 15(10→1)abeomuurolane sesquiterpenes, cosmosoic acid (1) and cosmosaldehyde (2), were isolated from the whole plant of Cosmos sulfurous. Their structures were established by a combination of 1D‐ and 2D‐NMR spectroscopic techniques. Additionally, a chemical correlation between 1 and 2 was also established.
Two New Indole Alkaloids from the Marine‐Derived Bacterium Aeromonas sp. CB101
Authors: Cai Sheng‐Xin , Li De‐Hai , Zhu Tian‐Jiao , Wang Feng‐Ping , Xiao Xiang , Gu Qian‐Qun 
Published: April 2010

AbstractTwo new indole alkaloids, arsindolines A and B (1 and 2, resp.), together with six known indole alkaloids, were isolated from a marine‐derived bacterium strain CB101, identified as Aeromonas sp. Their structures were established by spectroscopic methods, and their antitumor activities were evaluated by SRB and MTT methods.
Internal accounting controls: Does company size matter?
Authors: Rouse Robert W. 
Published: April 2010

AbstractSection 404 of the Sarbanes‐Oxley Act required CEOs and CFOs to certify their firms' internal controls were working properly. But the expense of determining that was seen as such a burden on small companies that for years they have been exempted. But is this the right thing to do? Should investors be concerned? © 2010 Wiley Periodicals, Inc.
PCAOB gets tough with new audit quality review standard
Authors: Bettinghaus Bruce 
Published: April 2010

AbstractThe author discusses the requirements of the recently proposed Public Company Accounting Oversight Board (PCAOB) auditing standard (AS 7) requiring the review and approval of a second audit partner of each audit. The PCAOB intended to get tough—the standard is designed to be rigorous. Unfortunately, the additional costs of implementing it might exceed any benefit. © 2010 Wiley Periodicals, Inc.
Multidimensionality of delocalization indices and nucleus‐independent chemical shifts in polycyclic aromatic hydrocarbons II: Proof of further nonlocality
Authors: Fias Stijn , Van Damme Sofie , Bultinck Patrick 
Published: April 2010

AbstractIn a recent contribution, we examined the effect of 10‐ and 14‐center circuits on the nucleus‐independent chemical shifts NICSs using multicenter bond indices (MCBIs) (Fias et al., J Comput Chem 2008, 29, 358). In this study, the nonlocal contributions to the NICS are further investigated for a larger set of polycyclic aromatic hydrocarbons (PAHs). To achieve this, the NICSs are predicted using the MCBI and compared with ab initio results. The NICSs of the central ring of perylene‐ and benzo‐[ghi]perylene‐like fragments and of coronene appear to have other nonlocal contributions than the ones previously studied. It is shown that a model based on the MCBI‐ring current maps and the inclusion of new circuits proves the existence and shows the nature of these new nonlocal effects on the NICS. This new model leads to a better understanding of the differences between the NICSs and delocalization indices. The results show that the NICS value is not only significantly influenced by the higher order circuits encircling the ring at which it is evaluated but also by the local aromaticity of the surrounding rings, and occasionally, like in the case of coronene, the NICSs are even influenced by currents farther away in the molecule. © 2010 Wiley Periodicals, Inc. J Comput Chem, 2010
Molecular tailoring approach in conjunction with MP2 and Ri‐MP2 codes: A comparison with fragment molecular orbital method
Authors: Rahalkar Anuja P. , Katouda Michio , Gadre Shridhar R. , Nagase Shigeru 
Published: April 2010

AbstractMany Divide‐and‐Conquer based approaches are being developed to overcome the high scaling problem of the ab initio methods. In this work, one such method, Molecular Tailoring Approach (MTA) has been interfaced with recently developed efficient Møller‐Plesset second order perturbation theory (MP2) codes viz. IMS‐MP2 and RI‐MP2 to reap the advantage of both. An external driver script is developed for implementing MTA at the front‐end and the MP2 codes at the back‐end. The present version of the driver script is written only for a single point energy evaluation of a molecular system at a fixed geometry. The performance of these newly developed MTA‐IMS‐MP2 and MTA‐RI‐MP2 codes is extensively benchmarked for a variety of molecular systems vis‐à‐vis the corresponding actual runs. In addition to this, the performance of these programs is also critically compared with Fragment Molecular Orbital (FMO), another popular fragment‐based method. It is observed that FMO2/2 is superior to FMO3/2 and MTA with respect to time advantage; however, the errors of FMO2 are much beyond chemical accuracy. However, FMO3/2 is a highly accurate method for biological systems but is unsuccessful in case of water clusters. MTA produces estimates with errors within 1 kcal/mol uniformly for all systems with reasonable time advantage. Analysis carried out employing various basis sets shows that FMO gives its optimum performance only for basis sets, which does not include diffuse functions. On the contrary, MTA performance is found to be similar for any basis set used. © 2010 Wiley Periodicals, Inc. J Comput Chem, 2010
Force field parameters for the simulation of modified histone tails
Authors: Grauffel Cédric , Stote Roland H. , Dejaegere Annick 
Published: April 2010

AbstractWe describe the development of force field parameters for methylated lysines and arginines, and acetylated lysine for the CHARMM all‐atom force field. We also describe a CHARMM united‐atom force field for modified sidechains suitable for use with fragment‐based docking methods. The development of these parameters is based on results of ab initio quantum mechanics calculations of model compounds with subsequent refinement and validation by molecular mechanics and molecular dynamics simulations. The united‐atom parameters are tested by fragment docking to target proteins using the MCSS procedure. The all‐atom force field is validated by molecular dynamics simulations of multiple experimental structures. In both sets of calculations, the computational predictions using the force field were compared to the corresponding experimental structures. We show that the parameters yield an accurate reproduction of experimental structures. Together with the existing CHARMM force field, these parameters will enable the general modeling of post‐translational modifications of histone tails. © 2010 Wiley Periodicals, Inc. J Comput Chem, 2010
Agonist‐evoked Ca2+ wave progression requires Ca2+ and IP3
Authors: McCarron John G. , Chalmers Susan , MacMillan Debbi , Olson Marnie L. 
Published: April 2010

AbstractSmooth muscle responds to IP3‐generating agonists by producing Ca2+ waves. Here, the mechanism of wave progression has been investigated in voltage‐clamped single smooth muscle cells using localized photolysis of caged IP3 and the caged Ca2+ buffer diazo‐2. Waves, evoked by the IP3‐generating agonist carbachol (CCh), initiated as a uniform rise in cytoplasmic Ca2+ concentration ([Ca2+]c) over a single though substantial length (∼30 µm) of the cell. During regenerative propagation, the wave‐front was about 1/3 the length (∼9 µm) of the initiation site. The wave‐front progressed at a relatively constant velocity although amplitude varied through the cell; differences in sensitivity to IP3 may explain the amplitude changes. Ca2+ was required for IP3‐mediated wave progression to occur. Increasing the Ca2+ buffer capacity in a small (2 µm) region immediately in front of a CCh‐evoked Ca2+ wave halted progression at the site. However, the wave front does not progress by Ca2+‐dependent positive feedback alone. In support, colliding [Ca2+]c increases from locally released IP3 did not annihilate but approximately doubled in amplitude. This result suggests that local IP3‐evoked [Ca2+]c increases diffused passively. Failure of local increases in IP3 to evoke waves appears to arise from the restricted nature of the IP3 increase. When IP3 was elevated throughout the cell, a localized increase in Ca2+ now propagated as a wave. Together, these results suggest that waves initiate over a surprisingly large length of the cell and that both IP3 and Ca2+ are required for active propagation of the wave front to occur. J. Cell. Physiol. 224: 334–344, 2010. © 2010 Wiley‐Liss, Inc.
Early years of biological agents therapy in Crohn's disease and risk of the human polyomavirus JC reactivation
Authors: Bellizzi Anna , Barucca Valentina , Fioriti Daniela , Colosimo Maria T. , Mischitelli Monica , Anzivino Elena , Chiarini Fernanda , Pietropaolo Valeria 
Published: April 2010

AbstractAlthough the remarkable efficacy of biological therapy has resulted in significant success in inflammatory bowel disease (IBD) management, susceptibility to infections remains a concern. The biological agents include the tumor necrosis factor‐α (TNF‐α) inhibitors, for instance infliximab, and other immunomodulating agents, such as natalizumab. Progressive multifocal leukoencephalopathy (PML), a rare but mostly fatal opportunistic brain infection caused by reactivation of the human polyomavirus JC virus (JCV), has been found in two patients with multiple sclerosis and one patient with Crohn's disease (CD), linked to treatment with natalizumab. After these cases of PML, the commercial and investigational use of natalizumab was suspended in February 2005 but was subsequently resumed for multiple sclerosis and for CD, only through a special restricted distribution program. This review, starting from an extensive literature search by the PubMed database, resumes the clinical aspects and pathophysiology of CD and focuses on the biologics in current use in CD (infliximab, adalimumab, and natalizumab), in order to provide a reference and gateway to prevention, recognition, and management of JCV, in the early years of biological agents therapy. It also proposed to provide an overview on the hypothetical mechanism of reactivation of JC virus related to the use of these drugs. J. Cell. Physiol. 224: 316–326, 2010. © 2010 Wiley‐Liss, Inc.
Short‐term transport of cadmium during a heavy‐rain event simulated by a dual‐continuum approach
Authors: Dusek Jaromir , Vogel Tomas , Lichner Lubomir , Cipakova Andrea 
Published: April 2010

AbstractThe transport of solutes in soils, and its intensification due to preferential flow, plays crucial role when problems related to the groundwater pollution are dealt with. The objective of this study was to examine transport of cadmium (Cd) in response to an extreme rainfall event for three different soils using numerical modeling. The 115mCd2+ concentration profile had been measured in the Bodiky reference site (Danubian Lowland, Slovakia) by the radioactive‐tracer technique and used for the calibration of the dual‐continuum model S1D. The Cd transport during a single rain event was predicted with the S1D model for light, medium‐heavy, and heavy soil in the same region. The Cd transport through the soil profile was simulated by the one‐dimensional dual‐permeability model, which assumes the existence of two pore domains: the soil‐matrix domain and the preferential‐flow domain. The model is based on Richards' equation for water flow and advection‐dispersion equation for solute transport. A modified batch technique enables to distinguish process of adsorption in the matrix domain and the preferential pathways. Modeling with classical single‐permeability approach and dual‐continuum approach without considering the particle‐facilitated transport led to negligible Cd penetration. The rainfall event with extremely high rainfall intensity induced deep penetration of Cd in the medium‐heavy and heavy soil, which may indicate increased vulnerability to shallow groundwater pollution for the respective sites in Danubian Lowland region. The highest Cd leaching was predicted for heavy clay soil, where the preferential particle‐facilitated transport of Cd through the soil profile was significant due to the contrasting properties of the soil‐matrix domain and the preferential‐flow domain. The results of the sensitivity analysis suggested only slight effect of the transfer rate coefficients on simulated Cd leaching.
The evaporation method: Extending the measurement range of soil hydraulic properties using the air‐entry pressure of the ceramic cup
Authors: Schindler Uwe , Durner Wolfgang , von Unold G. , Mueller L. , Wieland R. 
Published: April 2010

AbstractKnowledge of hydraulic functions is required for various hydrological and plant‐physiological studies. The evaporation method is frequently used for the simultaneous determination of hydraulic functions of unsaturated soil samples, i.e., the water‐retention curve and hydraulic‐conductivity function. All methodic variants of the evaporation method suffer from the limitation that the hydraulic functions can only be determined to a mean tension of ≈ 60 kPa. This is caused by the limited measurement range of the tensiometers of typically 80 kPa on the dry end. We present a new, cost‐ and time‐saving approach which overcomes this restriction. Using the air‐entry pressure of the tensiometer's porous ceramic cup as additional defined tension value allows the quantification of hydraulic functions up to close to the wilting point. The procedure is described, uncertainties are discussed, and measured as well as simulated test results are presented for soil samples of various origins, different textures (sand, loam, silt, clay, and peat) and variable dry bulk density. The experimental setup followed the system HYPROP which is a commercial device with vertically aligned tensiometers that is optimized to perform evaporation measurements. During the experiment leaked water from the tensiometer interior wets the surrounding soil of the tensiometer cup and can lead to a tension retardation as shown by simulation results. This effect is negligible when the tensiometers are embedded vertically. For coarsely textured soils and horizontal tensiometer alignment, however, the retardation must be considered for data evaluation.
Comprehensive feature analysis for sample classification with comprehensive two‐dimensional LC
Authors: Reichenbach Stephen E. , Tian Xue , Tao Qingping , Stoll Dwight R. , Carr Peter W. 
Published: April 2010

AbstractComprehensive two‐dimensional LC (LC×LC) is a powerful tool for analysis of complex biological samples. With its multidimensional separation power and increased peak capacity, LC×LC generates information‐rich, but complex, chromatograms, which require advanced data analysis to produce useful information. An important analytical challenge is to classify samples on the basis of chromatographic features, e.g., to extract and utilize biomarkers indicative of health conditions, such as disease or response to therapy. This study presents a new approach to extract comprehensive non‐target chromatographic features from a set of LC×LC chromatograms for sample classification. Experimental results with urine samples indicate that the chromatographic features generated by this approach can be used to effectively classify samples. Based on the extracted features, a support vector machine successfully classified urine samples by individual, before/after procedure, and concentration with leave‐one‐out and replicate K‐fold cross‐validation. The new method for comprehensive chromatographic feature analysis of LC×LC separations provides a potentially powerful tool for classifying complex biological samples.
π‐Conjugated Donor and Donor–Acceptor Metallo‐Polymers
Authors: Wild Andreas , Schlütter Florian , Pavlov Georges M. , Friebe Christian , Festag Grit , Winter Andreas , Hager Martin D. , Cimrová Vera , Schubert Ulrich S. 
Published: April 2010

AbstractTwo zinc(II)‐ and two ruthenium(II) containing π‐conjugated metallo‐polymers were synthesized and characterized in detail. We could prove by SEC, analytical ultracentrifugation (AUC) and viscosimetry the ruthenium(II) metallo‐polymers to be high molar mass materials (Mfs = 20 000 g · mol−1 Ru1‐2; Mfs = 34 000 g · mol−1 Ru1) exhibiting intrinsic viscosities of up to [η] = 192 · cm3 · g−1. Applying spin‐coating we produced homogeneous films of the polymers and could, subsequently, investigate the photophysical properties in the solid state. Introducing the Ru(II) metallo‐polymers mixed with PCBM[60] as photoactive layer in bulk‐heterojunction solar cells resulted in very low efficiencies due to morphology problems.
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Poly(ferrocenylsilane) Gels and Hydrogels with Redox‐Controlled Actuation
Authors: Hempenius Mark A. , Cirmi Concetta , Savio Fabio Lo , Song Jing , Vancso G. Julius 
Published: April 2010

AbstractThis concise paper discusses poly(ferrocenylsilane) (PFS)‐based organometallic gels and hydrogels as a novel class of redox‐responsive materials. First, the use of silicon‐bridged spirocyclic [1]ferrocenophane crosslinkers for creating PFS networks swellable in organic solvents is described. Optical properties of PFS composite colloidal crystal films, composed of monodisperse silica spheres embedded in such PFS networks, are shown to be influenced by solvent swelling or redox chemistry, allowing the use of these composites in photonic crystal full‐color displays. The synthesis of networks composed of water‐soluble PFS polyanions or polycations is discussed. In response to redox stimuli, a polyanionic PFS‐hydrogel exerted a pressure, which could render it useful as an actuator.magnified image
Disseminated intravascular large‐cell lymphoma with initial presentation mimicking Guillain–Barré syndrome
Authors: Jiang Qin Li , Pytel Peter , Rowin Julie 
Published: April 2010

AbstractWe report a patient with intravascular large B‐cell lymphoma who initially presented with acute ascending weakness and sensory changes. Electrodiagnostic testing and cerebral spinal fluid (CSF) studies were initially suggestive of a demyelinating polyneuropathy. Further clinical evaluation and testing were consistent with mononeuropathy multiplex. Autopsy revealed disseminated intravascular large‐cell lymphoma. Intravascular large‐cell lymphoma should be considered in the differential diagnosis of a rapidly evolving neuropathy associated with other organ involvement. Muscle Nerve, 2010
Geographic information systems and pharmacoepidemiology: using spatial cluster detection to monitor local patterns of prescription opioid abuse
Authors: Brownstein John S. , Green Traci C. , Cassidy Theresa A. , Butler Stephen F. 
Published: April 2010

AbstractPurposeUnderstanding the spatial distribution of opioid abuse at the local level may facilitate public health interventions.MethodsUsing patient‐level data from addiction treatment facilities in New Mexico from ASI‐MV® Connect, we applied geographic information system (GIS) in combination with a spatial scan statistic to generate risk maps of prescription opioid abuse and identify clusters of product‐ and compound‐specific abuse. Prescribed opioid volume data was used to determine whether identified clusters are beyond geographic differences in availability.ResultsData on 24 452 patients residing in New Mexico were collected. Among those patients, 1779 (7.3%) reported abusing any prescription opioid (past 30 days). According to opioid type, 979 patients (4.0%) reported abuse of any hydrocodone, 1007 (4.1%) for any oxycodone, 108 (0.4%) for morphine, 507 (2.1%) for Vicodin® or generic equivalent, 390 (1.6%) for OxyContin®, and 63 (0.2%) for MS Contin® or generic equivalent. Highest rates of abuse were found in the area surrounding Albuquerque with 8.6 patients indicating abuse per 100 interviewed patients. We found clustering of abuse around Albuquerque (P = 0.001; Relative Risk = 1.35, and a radius of 146 km). At the compound level, we found that drug availability was partly responsible for clustering of prescription opioid abuse. After accounting for drug availability, we identified a second foci of Vicodin® abuse in the southern rural portion of the state near Las Cruces, NM and El Paso, Texas and bordering Mexico (RR = 2.1; P = 0.001).ConclusionsA better understanding of local risk distribution may have implications for response strategies to future introductions of prescription opioids. Copyright © 2010 John Wiley & Sons, Ltd.