bluuebunny/crossref_metadata_2025_split huggingface dataset:
Spatial variability of remotely sensed soil moisture in a temperate‐humid grassland catchment
Authors: Liu Wen , Xu Xianli , Kiely Gerard 
Published: September 2011

ABSTRACTKnowledge of the spatial distribution of soil moisture is very important for understanding eco‐hydrological processes, but monitoring of soil moisture over extensive areas remains a challenge because of its high spatial variability and temporal dynamics. This study, taking an Irish temperate‐humid catchment as an example, shows that the backscatter coefficient acquired from Environmental Satellite (ENVISAT) Advanced Synthetic Aperture Radar (ASAR) Wide Swath (WS) image (150 m resolution) is a good estimator of the surface (top 5 cm) soil moisture, leading us to propose an empirical model for soil moisture estimation. Statistical analysis of the remotely sensed soil moisture (produced from 35 ENVISAT/ASAR WS images spanning both wet and dry regimes in 2006) revealed that the spatial variation (standard deviation and coefficient of variance) mainly decreased with increasing mean soil moisture for this wet catchment. Geostatistical analysis showed that the spatial dependence of the soil moisture field was moderate with most of the nugget ratios ranging from 45% (25% percentile) to 55% (75% percentile), and the spatial correlation range was around 554–854 m. The exponential model was able to accurately fit the sample semivariograms and was a reliable estimator of the characteristics of the remotely sensed soil moisture field. This type of analysis can provide meaningful information for soil moisture monitoring at the catchment or regional scale. Copyright © 2011 John Wiley & Sons, Ltd.
Regulation of the development of acute hepatitis by IL‐23 through IL‐22 and IL‐17 production
Authors: Xu Mingli , Morishima Noriko , Mizoguchi Izuru , Chiba Yukino , Fujita Koji , Kuroda Masahiko , Iwakura Yoichiro , Cua Daniel J. , Yasutomo Koji , Mizuguchi Junichiro , Yoshimoto Takayuki 
Published: September 2011

AbstractIL‐23 plays a critical role in the expansion of highly proinflammatory Th17 cells secreting IL‐17 and IL‐22. Recently, we demonstrated that Notch signaling drives IL‐22 secretion through the aryl hydrocarbon receptor (AHR) and plays a protective role in Con A‐induced hepatitis. In this study, we investigated the role of IL‐23 in hepatitis using IL‐23p19‐ and IL‐17‐deficient mice. In WT mice, the injection of Con A induced the upregulation of various cytokines, which included IL‐23, IL‐22, IL‐17, IFN‐γ and TNF‐α. In IL‐23p19‐deficient mice, exacerbated hepatitis was observed and serum IL‐22 and IL‐17 levels were greatly reduced, whereas in IL‐17‐deficient mice, ameliorated hepatitis was observed. The injection of exogenous IL‐22 protected p19‐deficient mice from hepatitis, whereas the injection of exogenous IL‐23 significantly increased the serum levels of not only IL‐22 but also IL‐17, and less effectively protected against hepatitis in IL‐17‐dependent and ‐independent manners. Finally, it was revealed that STAT3, STAT4 and Notch contributed to the production of both the cytokines, and that the AHR was important only for IL‐22 production in response to Con A and IL‐23 in liver mononuclear cells. These results suggest that IL‐23 plays a protective role in hepatitis through IL‐22 production and also a pathological role via IL‐17‐dependent and ‐independent mechanisms.
New Energetic Complexes of Copper(II) and the Acetone Carbohydrazide Schiff Base as Potential Flame Colorants for Pyrotechnic Mixtures
Authors: Bushuyev Oleksandr S. , Arguelles Forrest A. , Brown Preston , Weeks Brandon L. , Hope‐Weeks Louisa J. 
Published: September 2011

AbstractThe drive to find viable alternatives to common explosives has resulted in increased interest in the development of new transition‐metal organometallic energetic materials. To this end we report on the synthesis and characterization of the new energetic compounds, [CuX2(C7H14N4O)2·H2O] (X = ClO4–; NO3–), in addition to a new pathway to synthesizing copper hydrazinium chloride (CuCl3– N2H5+) in a clean facile way. All three complexes were characterized by low temperature single‐crystal X‐ray diffraction, while the two new compounds were also characterized by elemental analysis, thermogravimetric analysis, and differential scanning calorimetry. Because of the energetic nature of the new compounds, drop hammer and spark ignition tests were performed; Cu(NO3)2(C7H14N4O)2 was insensitive to both and Cu(ClO4)2(C7H14N4O)2 proved to be shock sensitive at high impact forces. It is expected that both of the compounds could be utilized in pyrotechnics as generators of green and blue colors, respectively.
Ruthenium Polypyridyl Sensitisers in Dye Solar Cells Based on Mesoporous TiO2
Authors: Reynal Anna , Palomares Emilio 
Published: September 2011

AbstractAt present, one of the most studied molecular device for the conversion of sunlight into electricity is the dye‐sensitised solar cell (DSSC). To date, ruthenium polypyridyl complexes have shown the highest light‐to‐energy conversion efficiencies because of their photophysical, photochemical and electrochemical properties. In addition, the overall efficiency achieved by DSSCs is strongly dependent on the interfacial charge‐transfer reactions that take place between the different components of the solar cell: the injection of electrons into the conduction band of the semiconductor by the dye, the transport of electrons through the semiconductor towards the working electrode contact, dye regeneration by the redox pair present in the electrolyte and the recombination reaction between the photoinjected electrons in the semiconductor and the oxidised species of the dye and the electrolyte. This microreview comprises: (i) the operational principles of complete functional photovoltaic devices and (ii) several synthetic methods, properties and main applications of most relevant homoleptic and heteroleptic ruthenium complexes reported in the literature.
A Rigid Angular Bidentate Ligand for the Design of a New Class of Coordination Polymers Based on Silver(I) Salts – Influence of the Anion on Coordination Assemblies
Authors: Desmarets Christophe , Azcarate Iban , Gontard Geoffrey , Amouri Hani 
Published: September 2011

AbstractThe synthesis of a new family of coordination polymers [AgL2X]n (1a, X = CF3SO3; 1b, X = BF4; 1c, X = NO3; 1d, X = PF6) using 5‐methoxy‐1,3‐bis(pyridin‐3‐ylethynyl)benzene (L2) as the self‐assembling ligand is described. All compounds have been fully characterized by spectroscopic techniques and elemental analysis. In particular the X‐ray molecular structures of 1a and 1b are reported and confirm the formation of 1D silver(I) chains. Their arrangements are described as a function and the nature of the anion. The supramolecular product 1a exhibits argentophilic Ag···Ag interactions to afford infinite double chains. Additionally, η1–AgI–π interactions lead to the formation of a network of stacked layers of double chains. In contrast, 1b lacks metal–counterion bonding and is constituted of infinite coordination polymers, which are held together by π–π interactions. The pivotal role of the counteranions on the overall packing arrangement of the polymers is presented and discussed.
Isolation, characterization, and antifungal application of a biosurfactant produced by Enterobacter sp. MS16
Authors: Jadhav Mital , Kagalkar Anuradha , Jadhav Sheetal , Govindwar Sanjay 
Published: September 2011

AbstractIsolate MS16 obtained from diesel contaminated soil, identified as Enterobacter sp. using 16S rRNA gene analysis produced biosurfactant when grown on unconventional substrates like groundnut oil cake, sunflower oil, and molasses. Of these carbon substrates used, sunflower oil cake showed highest biosurfactant production (1.5 g/L) and reduction in surface tension (68%). The biosurfactant produced by MS16 efficiently emulsified various hydrocarbons. The carbohydrates and fatty acids of the biosurfactants were studied using TLC, FTIR, NMR, and GC‐MS. The carbohydrate composition as determined by GC‐MS of their alditol acetate derivatives showed the predominance of glucose, galactose and arabinose, and hydroxyl fatty acids of chain length of C16 and C18 on the basis of FAMEs analysis. Biosurfactant showed antifungal activity and inhibited the fungal spore germination.Practical applications: Enterobacter sp., MS16 produces a biosurfactant composed of carbohydrates and fatty acids which exhibits excellent surface active properties. Use of industrial wastes for biosurfactant production is economical and facilitates the industrial production of this biosurfactant which has potential antifungal activity.
Precision of a point of care testing device for lipid profiling
Authors: O'Donovan Donal Óg , Byrne Stephen , McGillicuddy Aoife , Sahm Laura 
Published: September 2011

AbstractPoint‐of‐care testing (POCT) devices can be used to both screen for dyslipidaemia and to monitor lipid levels of patients currently being treated for elevated cholesterol. This study aims to examine the precision of a POCT device when used in a primary care setting. Health screens were offered to all staff members of University College Cork, Ireland. Capillary whole blood samples were taken from two digits of each participant to assess the lipid profile using the POCT device. The relationship between both results was investigated using Pearson product‐moment correlation coefficient, paired sample t‐tests and Kappa measures of agreement. In the second part of the study a volunteer provided ten consecutive capillary whole blood samples. These results were used to calculate the co‐efficient of variation of the device. Data were collected from 55 participants, 25(45%) of whom were male. The mean age of the study population was 44.5 ± 10.1 years. There were statistically significant differences recorded between the results for TC, TG and LDL‐C. Coefficients of variation for TG and LDL‐C were calculated at 7.51 and 7.71%, respectively. There is a degree of variability associated with the precision of POCT device; measurement error is a problem associated with cholesterol testing.Practical applications: Point‐of‐care testing devices are widely used to measure cholesterol levels. They are convenient for patients because only a small amount of blood is required, reducing discomfort. They also have the advantage of providing results quickly, at a location convenient and easily accessible to the patient. It is important that a POCT device being used for the purposes of screening and monitoring is both accurate and precise. This study aimed to examine the precision of a POCT device when used in a primary care setting. The results of this study are consistent with other studies that indicate that measurement error is a problem associated with cholesterol testing. If POCT devices are being used for screening or monitoring purposes then it is necessary to carefully calibrate the device in order to eliminate as much error as possible. Multiple readings should be performed using the same device to identify any potential outlier results.
Electronic Structure Manipulation of (Benzothiazole)zinc Complexes: Synthesis, Optical and Electrochemical Studies of 5‐Substituted Derivatives
Authors: Dey Somnath , Efimov Alexander , Giri Chandan , Rissanen Kari , Lemmetyinen Helge 
Published: September 2011

AbstractThe electronic properties of bis[2‐(2‐hydroxyphenyl)benzothiazolato]zinc(II) complexes were tuned by attachment of electron‐withdrawing and ‐donating aryl groups through the Suzuki–Miyaura coupling reaction. Optimization studies of the borylation reaction and Suzuki coupling of protected benzothiazoles were performed to maximize the yields of the target compounds. The absorption, emission, and electrochemical properties of the newly synthesized complexes were found to correlate to the electronic nature of the attached aryl group. Whereas the LUMO levels are less dependent on the substituents, the HOMO levels are very sensitive to the nature of the substituent, thus providing an array of organometallic complexes with gradual changes in redox potentials.
Towards the Synthesis of the 4,19‐Diol Derivative of (–)‐Mycothiazole: Synthesis of a Potential Key Intermediate
Authors: Batt Frédéric , Fache Fabienne 
Published: September 2011

AbstractThe synthesis of a potential key intermediate for the synthesis of the 4,19‐diol derivative of (–)‐mycothiazole using convergent strategies is described in this paper. Several approaches have been tested, including cross metathesis and a Julia–Kocienski olefination. Finally, the formation of the 1,1‐dialkyl‐1,2‐ethanediol motif through C4–C5 bond construction was realized by nucleophilic addition of a vinyl iodide derivative to a keto ester after halogen/lithium exchange followed by reduction of the resulting hydroxy ester.
Photochemical Formation and Reactivities of Substituted Oxathiiranes in Low‐Temperature Argon Matrices
Authors: Reisenauer Hans Peter , Mloston Grzegorz , Romanski Jaroslaw , Schreiner Peter R. 
Published: September 2011

AbstractThiocarbonyl S‐oxides (sulfines) derived from aliphatic and cycloaliphatic thioketones were irradiated in argon matrices at 10 K, and the resulting oxathiiranes were identified by comparison of computed and experimental IR spectra. Upon photolysis at 10 K, depending on the substitution pattern, the oxathiiranes underwent either H‐shift reactions or regioselective ring enlargements to form the corresponding thioesters. After warming of the matrix material to 38–40 K, the oxathiiranes underwent fast desulfurization to yield the corresponding ketones. Density functional theory (DFT) computations at the B3LYP/6‐311+G(3df,3pd) level suggest that the desulfurizations of oxathiiranes occurred as bimolecular processes with activation enthalpies near 0 kcal mol–1.
(Alkylsulfanyl)bithiophene‐alt‐Fluorene: π‐Conjugated Polymers for Organic Solar Cells
Authors: Parenti Francesca , Morvillo Pasquale , Bobeico Eugenia , Diana Rosita , Lanzi Massimiliano , Fontanesi Claudio , Tassinari Francesco , Schenetti Luisa , Mucci Adele 
Published: September 2011

AbstractWe describe the synthesis of alternating bithiophene–fluorene copolymers (P1–P3) with different regiochemistry of the bithienyl unit and different alkylsulfanyl chain lengths. The structural, electrochemical and photophysical properties of these polymers were investigated by gel permeation chromatography (GPC), differential scanning calorimetry (DSC), NMR, UV/Vis and photoluminescence (PL) spectroscopy and cyclic voltammetry (CV), and the polymers were used to assemble organic solar cells (OSCs), in combination with the fullerene derivative methyl [6,6]‐phenyl‐C61‐butyrate (PCBM). P3, with a head‐to‐head bithienyl unit, shows a broader absorption and a lower band gap with respect to P1 and P2, which have tail‐to‐tail bithienyl units. The PL intensity of P1–P3 is dramatically quenched in the presence of PCBM, demonstrating that an efficient charge transfer between donor and acceptor occurs. The best OSC device was obtained with P3.
Enantioselective Palladium‐Catalyzed Allylic Substitution of Sodium Benzotriazolide
Authors: Liu Wei , Zhang Dazhi , Zheng Shengcai , Yue Yinshuang , Liu Dongge , Zhao Xiaoming 
Published: September 2011

AbstractChiral allylic benzotriazole‐containing regioisomers 4 and 5 were synthesized by enantioselective palladium‐catalyzed allylation of sodium benzotriazolide with a range of allylic carbonates in 50–89 % yields, regioselectivities of 2.2:1 to 1:3.4, and ee values of up to 95 %.
Thiophene‐Inserted Aryl–Dicyanovinyl Compounds: The Second Generation of Fluorescent Molecular Rotors with Significantly Redshifted Emission and Large Stokes Shift
Authors: Shao Jingyin , Ji Shaomin , Li Xiaolian , Zhao Jianzhang , Zhou Fuke , Guo Huimin 
Published: September 2011

AbstractFluorescent molecular rotors can be used as molecular sensors for the viscosity of a microenvironment. However, these molecular rotors are limited to 9‐(dicyanovinyl)julolidine (DCVJ) and a few derivatives. Furthermore, these traditional rotors show short absorption/emission wavelengths and small Stokes shifts. To address these drawbacks, we have developed a small library of new molecular rotors for viscosity sensing, prepared by incorporating a thiophene unit into the conventional fluorescent molecular rotors with the aim of accessing molecular rotors with redshifted excitation/emission wavelengths and larger Stokes shifts compared with the known rotors. The new rotors show substantially improved photophysical properties. For example, rotor4shows absorption/emission wavelengths of 559/697 nm, respectively, and a very large Stokes shift of 138 nm compared with the absorption/emission wavelengths (465/503 nm) and very small Stokes shift (38 nm) of the traditional fluorescent molecular rotor DCVJ. The photophysical properties of the rotors were rationalized by DFT calculations.
Unusual Reaction of Macrocyclic Uracils with Paraformaldehyde
Authors: Semenov Vyacheslav E. , Giniyatullin Rashit Kh. , Mikhailov Anatoly S. , Nikolaev Anton E. , Kharlamov Sergey V. , Latypov Shamil K. , Reznik Vladimir S. 
Published: September 2011

AbstractThe ability of simple uracils to afford bis(uracil‐5‐yl)methanes upon reaction with paraformaldehyde is well documented. This reaction has been used in the preparation of pyrimidinophanes. The extension of the scope of this reaction to the synthesis of multipyrimidinophanes has been reported. Starting with isomeric pyrimidinophane containing 6‐methyluracil and 5‐methyluracil (thymine) moieties, linearly arranged multimacrocycles were prepared. A completely unexpected result was that the reactions of isomeric pyrimidinophanes containing 6‐methyluracil moieties with paraformaldehyde produced only cyclic‐arranged macrocycles, in particular, cryptand‐like pyrimidinophanes and multipyrimidinophanes with a cyclic topology.
Simultaneous discrimination of jasmonic acid stereoisomers by CE‐QTOF‐MS employing the partial filling technique
Authors: Han Yehua , Bai Yu , Xiao Yiling , Du Fuyou , Liang Yuan , Tan Zhijing , Zhao Meiping , Liu Huwei 
Published: September 2011

AbstractJasmonic acid (JA), an essential plant hormone controlling the plant defense signaling system and developmental processes, has stereospecific bioactivities that have not been well understood mainly due to the limitation in separation and detection methodologies. In this work, a fast CE‐UV method based on short‐end injection technique and a sensitive CE‐QTOF‐MS method based on partial filling technique were successfully developed for the enantioseparation of racemic JA. The successive coating technique was also involved by modifying the capillary with multiple ionic polymer layers of polybrene‐dextran sulfate‐polybrene. This was the first report on the direct resolution of both pairs of JA enantiomers, including two naturally occurring JA stereoisomers. Although no pure JA stereoisomers were commercially available, all the separated JA stereoisomers were identified indirectly by comparing the difference between the racemic standard and plant samples based on the presence and the ratio of each stereoisomer. Satisfactory results were obtained in terms of sensitivity (LOD, 24 ng/mL or 0.7 fmol for single JA stereoisomer) using 45 mmol/L ammonium acetate at pH 4.5 containing 70 mmol/L α‐CD as the buffer system. This established CE‐QTOF‐MS method was later successfully applied for the study of the naturally occurring JA stereoisomers in wounded tobacco leaves.
Selective concentration of human cancer cells using contactless dielectrophoresis
Authors: Henslee Erin A. , Sano Michael B. , Rojas Andrea D. , Schmelz Eva M. , Davalos Rafael V. 
Published: September 2011

AbstractThis work is the first to demonstrate the ability of contactless dielectrophoresis (cDEP) to isolate target cell species from a heterogeneous sample of live cells. Since all cell types have a unique molecular composition, it is expected that their dielectrophoretic (DEP) properties are also unique. cDEP is a technique developed to improve upon traditional and insulator‐based DEP devices by replacing embedded metal electrodes with fluid electrode channels positioned alongside desired trapping locations. Through the placement of the fluid electrode channels and the removal of contact between the electrodes and the sample fluid, cDEP mitigates issues associated with sample/electrode contact. MCF10A, MCF7, and MDA‐MB‐231 human breast cells were used to represent early, intermediate, and late‐staged breast cancer, respectively. Trapping frequency responses of each cell type were distinct, with the largest difference between the cells found at 20 and 30 V. MDA‐MB‐231 cells were successfully isolated from a population containing MCF10A and MCF7 cells at 30 V and 164 kHz. The ability to selectively concentrate cells is the key to development of biological applications using DEP. The isolation of these cells could provide a workbench for clinicians to detect transformed cells at their earliest stage, screen drug therapies prior to patient treatment, increasing the probability of success, and eliminate unsuccessful treatment options.
Enantioselective capillary electrophoresis for the assessment of CYP3A4‐mediated ketamine demethylation and inhibition in vitro
Authors: Kwan Hiu Ying , Thormann Wolfgang 
Published: September 2011

AbstractEnantioselective CE with sulfated cyclodextrins as chiral selectors was used to determine the CYP3A4‐catalyzed N‐demethylation kinetics of ketamine to norketamine and its inhibition in the presence of ketoconazole in vitro. Ketamine, a chiral phencyclidine derivative, was incubated with recombinant human CYP3A4 from a baculovirus expression system as racemic mixture and as single enantiomer. Alkaline liquid/liquid extracts of the samples were analyzed with a pH 2.5 buffer comprising 50 mM Tris and phosphoric acid together with either multiple isomer sulfated β‐cyclodextrin (10 mg/mL) or highly sulfated γ‐cyclodextrin (2%, w/v). Data obtained in the absence of ketoconazole revealed that the N‐demethylation occurred stereoselectively with Michaelis–Menten (incubation of racemic ketamine) and Hill (separate incubation of single enantiomers) kinetics. Data generated in the presence of ketoconazole as the inhibitor could best be fitted to a one‐site competitive model and inhibition constants were calculated using the equation of Cheng and Prusoff. No stereoselective difference was observed, but inhibition constants for the incubation of racemic ketamine were found to be larger compared with those obtained with the incubation of single ketamine enantiomers.
Synthesis, analytical characterization and initial capillary electrophoretic use in an acidic background electrolyte of a new, single‐isomer chiral resolving agent: Heptakis(2‐O‐sulfo‐3‐O‐methyl‐6‐O‐acetyl)‐β‐cyclodextrin
Authors: Tutu Edward , Vigh Gyula 
Published: September 2011

AbstractThe sodium salt of heptakis(2‐O‐sulfo‐3‐O‐methyl‐6‐O‐acetyl)cyclomaltoheptaose (HAMS), the first single‐isomer sulfated β‐CD that carries the sulfo group exclusively at the C2 position, has been synthesized. The purity of each synthetic intermediate and of the final product was determined by hydrophilic interaction (HILIC) and reversed‐phase HPLC. The structural identity of each intermediate and of the final product was verified by 1‐D and 2‐D NMR spectroscopy and MALDI‐TOF MS. HAMS was used for the capillary electrophoretic separation of the enantiomers of a set of non‐ionic and weak base analytes in pH 2.5 background electrolytes. Rapid separations with satisfactory peak resolution values were obtained for most enantiomers using low concentrations of HAMS. The effective mobilities and separation selectivities were dependent on the concentration of HAMS according to the predictions of the charged resolving agent migration model. The separation selectivities observed with HAMS, heptakis(2‐O‐methyl‐3‐O‐acetyl‐6‐O‐sulfo)cyclomaltoheptaose and heptakis(2‐O‐methyl‐3,6‐di‐O‐sulfo)cyclomaltoheptaose were different for some of the analytes studied in detail.