bluuebunny/crossref_metadata_2025_split huggingface dataset:
Enantioselective degradation of hexaconazole in rat hepatic microsomes in vitro
Authors: Zhang Ping , Dang Ziheng , Shen Zhigang , Zhu Wentao , Xu Xinyuan , Liu Donghui , Zhou Zhiqiang 
Published: January 2012

AbstractHexaconazole [(RS)‐2‐(2,4‐dichlorophenyl)‐1‐(1H‐1,2,4‐triazol‐1‐yl) hexan‐2‐ol] is a potent triazole fungicide and consists of a pair of enantiomers. Enantioselective degradation of hexaconazole was investigated in rat hepatic microsomes in vitro. Concentrations of (−)‐ and (+)‐hexaconazole and enantiomer fraction were determined by high performance liquid chromatography with a cellulose‐tris‐(3,5‐dimethylphenylcarbamate)‐based chiral stationary phase. The t1/2 of (−)‐hexaconazole and (+)‐hexaconazole were 23.70 and 13.95 min for rac‐ hexaconazole and 44.18 and 23.54 for enantiomers examined separately. Furthermore, hexaconazole is configurationally stable in rat hepatic microsomes, demonstrating no chiral inversion from the (−)‐hexaconazole to (+)‐hexaconazole or vice versa. Intrinsic metabolic clearance of (+)‐hexaconazole is 1.12 times than that of (−)‐hexaconazole. Interaction study revealed that there was competitive inhibition between (−)‐hexaconazole and (+)‐hexaconazole. In addition, there was a significant difference between the inhibitory concentration (IC50) of (−)‐ to (+)‐hexaconazole and (+)‐ to (−)‐hexaconazole [IC50(−)/(+)/IC50(+)/(−) = 1.88]. These results may have potential implications for better environmental and ecological risk assessment for hexaconazole. Chirality, 2012. © 2012 Wiley Periodicals, Inc.
Enantioselective determination of triazole fungice tetraconazole by chiral high‐performance liquid chromatography and its application to pharmacokinetic study in cucumber, muskmelon, and soils
Authors: Li Jing , Dong Fengshou , Xu Jun , Liu Xingang , Li Yuanbo , Shan Weili , Zheng Yongquan 
Published: January 2012

AbstractA simple chiral high‐performance liquid chromatography method with diode array detector was developed and validated for stereoselective determination of tetraconazole enantiomers in cucumber, muskmelon, and soils. Good separation was achieved at 20°C using cellulose tris‐(4‐methylbenzoate) as chiral stationary phase, a mixture of n‐hexane and ethanol (90:10) as mobile phase at a flow rate of 0.8 ml/min. The assay method was linear over a range of concentrations (0.5–50 μg/ml) and the mean recoveries in all samples were more than 85% for the two enantiomers. The limits of detection for both enantiomers in plant and soil samples were 0.06 and 0.12 μg/g, respectively. Then, the proposed method was successfully applied to the study of enantioselective degradation of rac‐tetraconazole in cucumber, muskmelon, and soils. The results showed that the degradation of two enantiomers of tetraconazole followed first‐order kinetics and significantly stereoselective behavior was observed in cucumber, muskmelon, and Beijing soil. The preferential absorption and degradation of (−)‐S‐tetraconzole resulted in an enrichment of the (+)‐R‐tetraconazole residue in plant samples, whereas the (+)‐R‐tetraconazole showed a faster degradation in Beijing soil and the stereoselectivity might be caused by microorganisms. No stereoselective degradation was observed in Heilongjiang soil. Chirality 2012. 2012 © Wiley Periodicals, Inc.
Hydrothermal Carbonization: 2. Kinetics of Draff Conversion
Authors: Kruse Andrea , Badoux François , Grandl Robert , Wüst Dominik 
Published: January 2012

AbstractDie hydrothermale Karbonisierung ist ein vielversprechendes Verfahren, um kohlenstoffreiche Produkte für vielfältige Anwendungen, z. B. als Ersatz für fossile Kohle in Kraftwerken, herzustellen. Die Abnahme des Sauerstoffgehaltes als wesentliches Kriterium für die fortschreitende Karbonisierung wurde am Beispiel von Biertreber als Ausgangstoff untersucht und mit zwei einfachen kinetischen Ansätzen beschrieben. Dabei konnte aufgrund der Zusammensetzung des Produktes zwischen der Karbonisierung durch Kohlendioxid‐ bzw. Wasser‐Abspaltung unterschieden werden.
Spray Drying of BSA‐ and Interferon‐β Loaded Chitosan Particles
Authors: Gruber‐Traub Carmen , Burger‐Kentischer  Anke , Gretzinger Sarah , Hirth Thomas , Weber Achim 
Published: January 2012

AbstractDie Formulierung und orale Applikation von therapeutischen Peptiden und Proteinen stellt aufgrund des proteolytischen Abbaus im Gastrointestinaltrakt und der geringen Resorption im Darmlumen eine Herausforderung dar. Für eine mögliche orale Verabreichung wurde eine chitosan‐basierte partikuläre Formulierung von Interferon‐β‐1b unter Einsatz eines Sprühtrockungsverfahrens entwickelt. Die Quantifizierung der biologischen Aktivität erfolgte mittels eines Antiviralen‐Assays und eines ELISA‐Assays. Der Aktivitätstest zeigte den Erhalt der biologischen Aktivität des Interferons nach dem Herstellungsprozess.
Adaptive Performance: A New Scale to Measure Individual Performance in Organizations
Authors: Charbonnier‐Voirin Audrey , Roussel Patrice 
Published: January 2012

AbstractAs a component of overall employee performance, adaptive performance refers to the ability of an individual to change his or her behaviour to meet the demands of a new environment. The concept is relevant to firms that face especially complex and volatile business conditions. Research and practice have been hampered by a general lack of a widely available, psychometrically sound, multidimensional scale of adaptive performance that is applicable across a wide range of job contexts. Using both qualitative and quantitative methods, we develop and evaluate a 19‐item scale measuring five dimensions of adaptive performance. Copyright © 2012 ASAC. Published by John Wiley & Sons, Ltd.
Statins Reduce Short‐ and Long‐Term Mortality Associated With Postoperative Atrial Fibrillation After Coronary Artery Bypass Grafting: Impact of Postoperative Atrial Fibrillation and Statin Therapy on Survival
Authors: Girerd Nicolas , Pibarot Philippe , Daleau Pascal , Voisine Pierre , O'Hara Gilles , Després Jean‐Pierre , Mathieu Patrick 
Published: January 2012

AbstractBackground:Postoperative atrial fibrillation (POAF) is a frequent complication of coronary artery bypass grafting (CABG) surgery. The objective of this study was to determine the impact of POAF on both short‐ and long‐term mortality following isolated CABG.Hypothesis:POAF is associated with a poorer short and long‐term mortality following CABG.Methods:We retrospectively analyzed the preoperative and operative data of 6728 consecutive patients undergoing a first isolated CABG.Results:The incidence of POAF was 27.8%. Operative mortality was higher in patients with POAF compared to those without POAF (2.3% vs 0.9%, P < 0.001). On multivariate analysis, POAF remained an independent predictor of operative mortality (odds ratio [OR]: 1.78, P = 0.01). Patients with POAF also had reduced long‐term survival (6‐year survival: 85.3% vs 89.2%, P < 0.001). After adjusting for other predictors of mortality, POAF was significantly associated with increased long‐term mortality (hazard ratio [HR]: 1.35, P = 0.04). Of note, after adjustment for potential confounders, statin treatment had a highly protective effect in POAF patients for both operative mortality (OR: 0.38, P = 0.003) and long‐term mortality (HR: 0.62, P = 0.03), whereas it had no significant effect in patients without POAF.Conclusions:POAF is an independent predictor of both short‐ and long‐term mortality following CABG. Moreover, statin therapy was independently associated with better survival in patients with POAF.Dr. Pibarot holds the Canada Research Chair in Valvular Heart Diseases, Canadian Institutes of Health Research. Dr. Mathieu is a research scholar from the Fonds de Recherches en Santé du Québec, Montreal, Canada. Dr. Després has served as a speaker for Abbott Laboratories, AstraZeneca, Solvay Pharma, GlaxoSmithKline, and Pfizer Canada Inc.; has received research funding from Eli Lilly Canada; and has served on the advisory boards of Novartis, Theratechnologies, Torrent Pharmaceuticals Ltd., and Sanofi‐Aventis. The authors have no other funding, financial relationships, or conflicts of interest to disclose.
Safety of Dental Extractions in Coronary Drug‐Eluting Stenting Patients Without Stopping Multiple Antiplatelet Agents
Authors: Park Mahn‐Won , Her Sung‐Ho , Kwon Jong Bum , Lee Jae Beom , Choi Min‐Seok , Cho Jung Sun , Kim Dong‐Bin , Chung Wook‐Sung , Seung Ki‐Bae , Kim Keon‐Yeop 
Published: January 2012

AbstractBackground:The risk of excessive bleeding prompts physicians to stop multiple antiplatelet agents before minor surgery, which puts coronary stenting patients at risk for adverse thrombotic events.Hypothesis:We hypothesized that most dental extractions can be carried out safely without stopping multiple antiplatelet agents.Methods:All dental extraction patients who had undergone coronary stenting and who were also on oral multiple antiplatelet agents therapy were enrolled. One hundred patients underwent dental procedures without stopping antiplatelet agents. All wounds were sutured and followed up at 24 hours, 1 week, and 1 month after the procedure. There were 2233 patients who had not taken oral antiplatelet agents from a health promotion center and had teeth extracted by the same method. After performing propensity‐score matching for the entire population, a total of 100 matched pairs of patients were created. The primary outcome was a composite of excessive intraextraction blood loss, transfusion, and rehospitalization for bleeding, and the secondary outcome was a composite of death, nonfatal myocardial infarction, target lesion revascularization, and stent thrombosis within 1 month after the procedure.Results:There were 2 excessive intraextraction bleeding cases that continued at the extraction site for 4 and 5 hours, respectively, in the coronary stenting patients, and 1 excessive intraextraction bleeding case that continued for 3 hours in the control patients. There were no cases of transfusion, rehospitalization for bleeding, or major cardiovascular events for the 2 propensity‐matched groups.Conclusions:We found that most dental extractions in coronary stenting patients can be carried out safely without stopping multiple antiplatelet agents.The authors have no conflicts of interest to disclose.This study was supported in part by a grant from Yuhan Corporation, Ltd., Seoul, The Republic of Korea.
Protease activation and the signal transduction pathway regulating motility in sperm from the water strider Aquarius remigis
Authors: Miyata Haruhiko , Thaler Catherine D. , Haimo Leah T. , Cardullo Richard A. 
Published: January 2012

AbstractMany motile processes are regulated such that movement occurs only upon activation of a signaling cascade. Sperm from a variety of species are initially quiescent and must be activated prior to beating. The signaling events leading to the activation and regulation of sperm motility are not well characterized. Mature seminal vesicle sperm from the water strider Aquarius remigis are immotile in vitro, but vigorous motility is activated by trypsin. Trypsin‐activated motility was blocked by pretreatment of the sperm with BAPTA‐AM to chelate intracellular Ca2+ and was partially rescued by subsequent addition of A23187 and Ca2+. Thapsigargin stimulated motility in the absence of trypsin, suggesting that intracellular Ca2+ stores are available. In addition, motility could be fully activated by the phosphatase inhibitor calyculin A, suggesting that the immotile state is maintained by an endogenous phosphatase and that kinase activity is required for motility. The MEK1/2 inhibitor U0126 significantly reduced trypsin activated motility, and MPM‐2, an antibody which recognizes proline‐directed phosphorylation by kinases such as MAPK, recognized components of the water strider sperm flagellum. Antibodies specific for the mouse protease activated receptor PAR2 recognized an antigen on the sperm flagellum. These results suggest that trypsin stimulates a Ca2+ and MAPK mediated signaling pathway and potentially implicate a PAR2‐like protein in regulating motility. © 2012 Wiley Periodicals, Inc.
Preliminary Study of the Anticancer Applications of Mesoporous Materials Functionalized with the Natural Product Betulinic Acid
Authors: Sánchez‐Muñoz Sergio , Gómez‐Ruiz Santiago , Pérez‐Quintanilla Damián , Morante‐Zarcero Sonia , Sierra Isabel , Prashar Sanjiv , Paschke Reinhard , Kaluđerović Goran N. 
Published: January 2012

AbstractDehydrated MCM‐41 (S 1) was functionalized under nitrogen with 3‐chloropropyltriethoxysilane (CPTS) and 3‐aminopropyltriethoxysilane (APTS) by grafting in toluene at 80 °C over 48 h to give the corresponding materials S 2 and S 3, respectively. Subsequently, S 2 and S 3 were suspended in methanol and reacted in a nitrogen atmosphere with betulinic acid (BA) for 48 h at 65 °C (in the presence of the triethylamine of S 2) to give the BA‐functionalized materials S 4 and S 5. All materials studied were characterized by powder X‐ray diffraction, X‐ray fluorescence, nitrogen gas sorption, multinuclear MAS NMR spectroscopy, thermogravimetry, UV spectroscopy, IR, SEM, and TEM. To study the release of BA, S 4 and S 5 were suspended in solutions simulating various body pH conditions (pH 7.4, 5.5, and 3.0). Results of the quantification of BA release by HPLC for S 4 show a pH‐dependent and very slow BA release following a logarithmic tendency, while S 5 behaves differently, also pH‐dependent but, in this case, fast release of BA which requires only days for total release of the therapeutic compound. In addition, the cytotoxic activity of all synthesized materials against various cancer cell lines was studied. The results show the absence of an antiproliferative effect on the surfaces without BA S 1–S 3, while an antiproliferative effect was observed with S 4 and S 5 and was attributed to the release of BA in the medium.
Anatomical basis of sun compass navigation I: The general layout of the monarch butterfly brain
Authors: Heinze Stanley , Reppert Steven M. 
Published: January 2012

AbstractEach fall, eastern North American monarch butterflies (Danaus plexippus) use a time‐compensated sun compass to migrate to their overwintering grounds in central Mexico. The sun compass mechanism involves the neural integration of skylight cues with timing information from circadian clocks to maintain a constant heading. The neuronal substrates for the necessary interactions between compass neurons in the central complex, a prominent structure of the central brain, and circadian clocks are largely unknown. To begin to unravel these neural substrates, we performed 3D reconstructions of all neuropils of the monarch brain based on anti‐synapsin labeling. Our work characterizes 21 well‐defined neuropils (19 paired, 2 unpaired), as well as all synaptic regions between the more classically defined neuropils. We also studied the internal organization of all major neuropils on brain sections, using immunocytochemical stainings against synapsin, serotonin, and γ‐aminobutyric acid. Special emphasis was placed on describing the neuroarchitecture of sun‐compass‐related brain regions and outlining their homologies to other migratory species. In addition to finding many general anatomical similarities to other insects, interspecies comparison also revealed several features that appear unique to the monarch brain. These distinctive features were especially apparent in the visual system and the mushroom body. Overall, we provide a comprehensive analysis of the brain anatomy of the monarch butterfly that will ultimately aid our understanding of the neuronal processes governing animal migration. J. Comp. Neurol. 520:1599–1628, 2012. © 2012 Wiley Periodicals, Inc.
Coherent Motion Reveals Non‐Ergodic Nature of Internal Conversion between Excited States
Authors: Kuhlman Thomas S. , Sølling Theis I. , Møller Klaus B. 
Published: January 2012

AbstractWe found that specific nuclear motion along low‐frequency modes is effective in coupling electronic states and that this motion prevail in some small molecules. Thus, in direct contradiction to what is expected based on the standard models, the internal conversion process can proceed faster for smaller molecules. Specifically, we focus on the S2→S1 internal conversion in cyclobutanone, cyclopentanone, and cyclohexanone. By means of time‐resolved mass spectrometry and photoelectron spectroscopy the relative rate of this transition is determined to be 13:2:1. Remarkably, we observe coherent nuclear motion on the S2 surface in a ring‐puckering mode and motion along this mode in combination with symmetry considerations allow for a consistent explanation of the observed relative time‐scales not afforded by only considering the density of vibrational states or other aspects of the standard models.
DNA “Nanolamps”: “Clicked” DNA Conjugates with Photon Upconverting Nanoparticles as Highly Emissive Biomaterial
Authors: Rubner Moritz M. , Achatz Daniela E. , Mader Heike S. , Stolwijk Judith A. , Wegener Joachim , Harms Gregory S. , Wolfbeis Otto S. , Wagenknecht Hans‐Achim 
Published: January 2012

AbstractUpconverting nanoparticles (UCNPs) are a highly attractive tool owing to their unique property of showing visible luminescence when excited in the near‐infrared (NIR) region. Plain UCNPs have no biorecognition capabilities, but functionalization of their surface with azido groups renders them conjugatable to ethynyl‐modified oligonucleotides in a bioorthogonal fashion. Single‐stranded DNA was covalently attached to the surface of UCNPs by click chemistry and purified by size exclusion chromatography (SEC) at elevated temperature. Covalent attachment was evidenced by diffuse reflectance infrared Fourier transform (DRIFT) spectroscopy. DNA conjugation makes the particle soluble in water and enables it to recognize its counter strand. Such UCNPs are capable of nonspecifically crossing cell membranes. Confocal microscopy reveals the high potential of the bright UCNPs for live cell imaging in the NIR, where the UCNP–DNA conjugates can be considered to act as a kind of nano‐sized lamp. Furthermore, cross‐linking of those DNA nanolamps yields highly emissive aggregates.
Multiparametric cytometry for exploration of complex cellular dynamics
Authors: Gondois‐Rey Françoise , Granjeaud Samuel , Kieu Suong Le Thi , Herrera Diana , Hirsch Ivan , Olive Daniel 
Published: January 2012

AbstractThe development of polychromatic cytometry has contributed to significant progress in the field of human immunology. Although numerous functional studies of rare cell populations have been performed using this technology, here we used polychromatic cytometry to explore the dynamics of complex cellular systems implicated in innate immunity. We used PBMC stimulated with live influenza virus as an experimental model. We studied the time course of activation of PBMC, which contain DC, monocytes, and NK cells, all of which are, in addition to their innate immune properties, susceptible to Flu infection. We developed 12 color panels to investigate intracellular expression of IFN‐α, TNF‐α, IL‐12, IL‐6, IFN‐γ, CD107, and influenza virus nucleoprotein simultaneously in these cell populations. These panels allowed reproducible determination of activation markers induced in DC after their direct exposure to various stimulations or in NK cells by indirect DC‐mediated activation within the complex cellular environment. The ability to use a low number of cells and reduced quantities of reagents permitted us to perform kinetic experiments. The power of polychromatic cytometry associated with bioinformatic tools allowed us to analyze the multiple functional data generated as dynamic clustering maps. These maps present a readily understandable view of activation events induced in different populations of PBMC. In addition, it reveals new information on the coordination of the complex pathways induced and on the cellular interactions that sustained indirect DC‐mediated NK cell activation. Our work shows that polychromatic cytometry is a tool for discoveries in unexplored complex cell systems, at the crossroads of immunology and virology. © 2012 International Society for Advancement of Cytometry
FCS 3.1 Implementation Guidance
Authors: Bray Chris , Spidlen Josef , Brinkman Ryan R. 
Published: January 2012

AbstractThe Flow Cytometry Standard (FCS) format was developed back in 1984. Since then, FCS became the standard file format supported by all flow cytometry software and hardware vendors. Over the years, updates were incorporated to adapt to technological advancements in both flow cytometry and computing technologies. However, flexibility in how data may be stored in FCS has led to implementation difficulties for instrument vendors and third party software developers. In this technical note, we are providing implementation guidance and examples related to FCS 3.1, the latest version of the standard. By publishing this text, we intend to prevent potential compatibility issues that could be faced when implementing the FCS spillover and preferred display keywords that have arisen during discussions among some implementers. © 2012 International Society for Advancement of Cytometry.
Peculiarities of Vibrational Spectra and Electronic Structure of the Five‐Membered Metallacyclocumulenes of the Group 4 Metals
Authors: Aysin Rinat R. , Leites Larissa A. , Burlakov Vladimir V. , Shur Vladimir B. , Beweries Torsten , Rosenthal Uwe 
Published: January 2012

AbstractThe vibrational (Raman and IR) spectra of metallacyclic cumulenes of the type Cp2M(η4‐tBuC4tBu) [M = Ti (1), Zr (2), Hf (3)] were obtained and analyzed in terms of normal coordinate calculations. The system of three cumulated C=C bonds in the five‐membered metallacycle was shown to exhibit a peculiar spectral pattern with three normal modes with frequencies at ca. 1900 (νs1), 1650 (νas2), and 1280 cm–1 (νs3). The νs1 mode is a symmetric stretch of the two equivalent C1–C2 and C3–C4 bonds (with simultaneous contraction of the central C2–C3 bond), the νas2 mode is their antisymmetric combination, while the νs3 mode has a complex eigenvector and involves a “breathing” motion of the metallacycle as a whole along with C–CtBu bond stretches. Reconstruction of the electron‐density distribution in the molecules studied by using Bader's AIM theory resulted in a specific molecular graph of the metallacycle, that with the so‐called “T‐shaped” configuration, pointing to topological instability of the system. This is in contrast to analogously calculated “normal” bonding patterns for related cyclopropene complexes Cp2Ti(η2‐RC2R).
N1‐Functionalized Indole‐Phosphane Oxazoline (IndPHOX) Ligands in Asymmetric Allylic Substitution Reactions
Authors: Wang Yu , Vaismaa Matti J. P. , Rissanen Kari , Franzén Robert 
Published: January 2012

AbstractN‐Functionalized IndPHOX ligands bearing various groups have been synthesized and the effects of the N1‐substituent on the reaction rate, yield, and asymmetric induction in a palladium‐catalyzed allylic substitution reaction are reported. The presence of an oxygen atom in the ligands, namely an N‐MOM or N‐THP group, led to enhancement of the enantioselectivity in the allylic amination reaction. In addition, a ligand with a chiral oxazoline ring at C‐1 and a phosphane substituent at C‐2 provided high enantioselectivity in good yield in an asymmetric allylic alkylation reaction.