bluuebunny/crossref_metadata_2025_split huggingface dataset:
FARMERS' PRACTICES AND COMMUNITY MANAGEMENT OF IRRIGATION: WHY DO THEY NOT MATCH IN FATNASSA OASIS?
Authors: Ghazouani Wafa , Marlet Serge , Mekki Insaf , Harrington Larry W. , Vidal Alain 
Published: April 2011

ABSTRACTCommunity‐managed irrigation systems are commonly faced with problems of low system‐level performance. A comprehensive survey was undertaken to assess and quantify the causes of the low irrigation performance in a community‐managed oasis in southern Tunisia. At the irrigation system level, results showed that irrigation intervals were double those that had been expected (19–21 days). The main cause was inappropriate farmers' practices at field level where the irrigation duration was almost twice the expected 10 h ha‐1. The extension of date palm plantation and technical dysfunctions played a less important role as they were counterbalanced by cancellation of irrigation in some plots. At the field scale, excessively long irrigation duration resulted from the joint effects of small fields, poor maintenance of field‐level water delivery systems, uncontrolled night irrigation events and low farmer commitment. This situation emphasizes the question of efficiency and sustainability of irrigation systems when farmers subvert collective rules. Further, the situation raises the question of equity among farmers which hinders their support for the water users' association and the strict application of water allocation rules. These findings should help identify an appropriate approach and lead to positive changes in the management of community irrigation systems. Copyright © 2011 John Wiley & Sons, Ltd.
Nanometer‐scale imaging by the modulation tracking method
Authors: Lanzano Luca , Digman Michelle A. , Fwu Peter , Giral Hector , Levi Moshe , Gratton Enrico 
Published: April 2011

AbstractWe developed an optical imaging method based on a feedback principle in which the specific scan pattern is adapted according to the shape of the sample. The feedback approach produces nanometer‐resolved 3D images of very small and moving features in live cells in seconds. We show images of microvilli in live cultured opossum kidney cells expressing NaPi co‐transporter proteins with different GFP constructs and images of cell protrusions in a collagen matrix with a resolution of about 20 nm. We found that in the microvilli the NaPi proteins can be found clustered. Along cell protrusions in 3D we identified cellular adhesions to the extracellular matrix. Our approach to super‐resolution and to 3D nanoimaging is different than other proposed methods that break the diffraction limit using non‐linear effects or are based on single molecule localization. (© 2011 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)
Successful treatment of patients with systemic lupus erythematosus complicated with autoimmune thyroid disease using double‐filtration plasmapheresis: A retrospective study
Authors: Liu Lin‐Lin , Li Xiao‐Li , Wang Li‐Ning , Yao Li , Fan Qiu‐Ling , Li Zi‐Long 
Published: April 2011

AbstractIntroduction:Systemic lupus erythematosus (SLE) associated with autoimmune thyroid disease (AITD) is a complex and well recognized autoimmune disorder. Careful monitoring/surveillance of thyroid gland functioning and active treatment of SLE patients with coexisting AITD, typically using medications, are critically important. The role of apheresis in this setting remains to be fully explored. Here we examine the use of double‐filtration plasmapheresis (DFPP), as an adjuvant therapy in the treatment of patients with SLE complicated with AITD and report our experiences using this apheresis methodology.Methods:We performed a retrospective chart review of 11 patients with SLE complicated with AITD who had received DFPP in our blood purification center between 2004 and 2008. Levels of thyroid hormones, antithyroid autoantibodies, SLE disease activity, proteinuria, glomerular filtration rate (GFR), and response to therapy were analyzed.Results:AITD, SLE, and lupus nephritis improved after DFPP. Except for one patient who died of severe pneumonia in the second month after completion of DFPP, all surviving patients continued to show clinical improvements or remained stable during the follow‐up periods.Conclusion:DFPP can effectively remove autoantibodies and may have an important adjuvant role in therapeutic options in the treatment of SLE patients with AITD complications. J. Clin. Apheresis, 2011. © 2011 Wiley‐Liss, Inc.
Accurate bond dissociation enthalpies by using doubly hybrid XYG3 functional
Authors: Zhang Igor Ying , Wu Jianming , Luo Yi , Xu Xin 
Published: March 2011

AbstractIn this work, we examine the performance of XYG3, a newly developed doubly hybrid density functional (Zhang, Xu, and Goddard III, Proc Natl Acad Sci USA 2009, 106, 4963), to calculate covalent bond dissociation enthalpy (BDE). We use 5 atoms, 32 molecular radicals, and 116 closed‐shell molecules to set up 142 bond dissociation reactions. For the total of 148 heats of formation (HOFs) and 142 BDEs, XYG3 leads to mean absolute deviations (MADs) of 1.45 and 1.87 kcal/mol, respectively. In comparison with some other functionals, MADs for HOFs are 2.31 (M06‐2X), 2.98 (B2PLYP‐D), 3.04 (BMK), 3.96 (B3LYP), 4.47 (B2PLYP), 5.42 (B2GP‐PLYP), 6.46 (PBE0), and 29.93 kcal/mol (B3P86), and the corresponding errors for BDEs are 2.06 (M06‐2X), 2.25 (BMK), 2.51 (B2PLYP‐D), 2.89 (B2GP‐PLYP), 3.30 (B3P86), 3.44 (B2PLYP), 3.87 (PBE0), and 6.14 kcal/mol (B3LYP). © 2011 Wiley Periodicals, Inc. J Comput Chem, 2011
An ab initio molecular orbital study of intramolecular hydrogen bonding in ortho‐substituted arylamides: Implications for the parameterization of molecular mechanics force fields
Authors: Liu Zhiwei , Teslja Alexey , Pophristic Vojislava 
Published: April 2011

AbstractThe aromatic oligoamide (arylamide) foldamer class, characterized by the repetitive aromatic‐amide pattern, is one of the most intensively studied foldamer families. In this article, the potential energy profiles with regard to torsional motions around the two types of aromatic‐amide bonds (CaCp and CaN) are obtained at the B3LYP/6‐311G(d,p) level of theory. The effect of ortho substituents with different hydrogen bonding abilities (OCH3 vs. SCH3) on the torsional potential profiles is analyzed in detail. There are several findings that have implications in foldamer design. The ortho‐SCH3 substituent on the benzene ring produces a much more flexible arylamide backbone with respect to the OCH3 substituent, as it restricts the CaCp torsion to a lesser extent. Interestingly, the rigidifying effect of the ortho‐SCH3 substituent on the CaN torsion is very similar to that of the OCH3 substituent on the same linkage type. In addition, the SCH3 substituent prefers a perpendicular orientation with respect to the benzene ring to the in‐plane one. It is also found that reparameterization of the corresponding torsional parameters, sometimes specific to the ortho substituent type, in the general amber force field is necessary for an accurate description of the backbone torsions in arylamides. Six sets of partial charge/torsional parameters for each linkage (CaCp or CaN)/substituent (OCH3 or SCH3) combination are obtained based on the ab initio torsional profiles. Initial assessments of these parameters show good agreement with the ab initio results. © 2011 Wiley Periodicals, Inc. J Comput Chem, 2011
Evolutionary history of Cuban crocodiles Crocodylus rhombifer and Crocodylus acutus inferred from multilocus markers
Authors: Milián‐García Yoamel , Venegas‐Anaya Miryam , Frias‐Soler Roberto , Crawford Andrew J. , Ramos‐Targarona Roberto , Rodríguez‐Soberón Roberto , Alonso‐Tabet Manuel , Thorbjarnarson John , Sanjur Oris I. , Espinosa‐López Georgina , Bermingham Eldredge 
Published: April 2011

AbstractAmong crocodilians, Crocodylus rhombifer is one of the world's most endangered species with the smallest natural distribution. In Cuba, this endemic species coexists with the American crocodile (Crocodylus acutus). Hybridization between these two species is well known in captivity and might occur in the wild, but has never been demonstrated genetically. Here, we combined molecular data with environmental, geographic, and fossil data to infer the evolutionary history of Crocodylus in the Cuban Archipelago, and to evaluate genealogical support for species boundaries. We analyzed seven microsatellite loci plus DNA sequence data from nuclear (RAG‐1) and mitochondrial (cytochrome b and cytochrome oxidase I) genes from 89 wild‐caught individuals in Cuba, Grand Cayman Island, Jamaica, and Central America, and two samples from zoo collections. Microsatellites showed evidence of introgression, suggesting potential hybridization among Cuban groups. In Cuba, C. acutus contained one mitochondrial DNA (mtDNA) haplotype, whereas C. rhombifer contained two haplotypes. MtDNA data showed that C. acutus is paraphyletic with respect to C. rhombifer, revealing 1% sequence divergence between species within Cuba vs. 8% divergence between Cuban forms and mainland C. acutus. We suggest that hybridization has been a historical as well as a current phenomenon between C. acutus and C. rhombifer. These findings suggest that long‐term conservation of crocodiles in Cuba will require identification of genetically pure and hybrid individuals, and a decrease in anthropogenic activities. We also recommend more extensive morphological and genetic analyses of Cuban population to establish clear boundaries of the hybrid zone between C. acutus and C. rhombifer. J. Exp. Zool. 315:358–375, 2011. © 2011 Wiley‐Liss, Inc.
Novel isoforms of heat shock transcription factor 1 are induced by hypoxia in the Pacific oyster Crassostrea gigas
Authors: Kawabe Shinya , Yokoyama Yoshihiro 
Published: March 2011

AbstractThe Pacific oyster Crassostrea gigas inhabits the intertidal zone and shows tolerance to various stress conditions such as hypoxia and heat shock. However, little is known about the cellular mechanism of responses to these stresses. Heat shock transcription factor 1 (HSF1) regulates the transcription of several genes, including heat shock proteins (HSPs). In this study, we cloned HSF1 from the oyster and investigated its response to air‐exposure. The cDNA of oyster Hsf1 contains 2,931 bp, of which 1,389 bp encode a protein of 463 amino acid residues. Moreover, we found that the oyster has seven novel alternatively spliced isoforms, Hsf1b–h, consisting of insertion A with 48 bp, insertion B with 42 bp and/or insertion C with 42 bp. We determined the sequences of oyster genomic DNA containing Hsf1 insertions A, B and C. The results indicated that eight isoforms of Hsf1 are generated from a single Hsf1 gene by alternative splicing without frameshifting. Real‐time PCR analysis showed that Hsf1a is expressed constitutively, and the expression of Hsf1b‐h and Hsp70 mRNA is induced by air exposure and/or hypoxia. In addition, we found that 11 putative hypoxia response elements, which are hypoxia‐inducible factor 1 (HIF‐1) binding sequences, are located in the Hsf1 promoter region. These data suggest that the oyster has an HIF‐HSF pathway in which HSPs are induced in an HIF‐dependent manner, and that it also has a novel mechanism of alternative splicing of Hsf1 in response to hypoxia. J. Exp. Zool. 315:394–407, 2011. © 2011 Wiley‐Liss, Inc.
Evolution of pleiotropy: epistatic interaction pattern supports a mechanistic model underlying variation in genotype–phenotype map
Authors: Pavlicev Mihaela , Norgard Elizabeth A. , Fawcett Gloria L. , Cheverud James M. 
Published: April 2011

AbstractThe genotype–phenotype (GP) map consists of developmental and physiological mechanisms mapping genetic onto phenotypic variation. It determines the distribution of heritable phenotypic variance on which selection can act. Comparative studies of morphology as well as of gene regulatory networks show that the GP map itself evolves, yet little is known about the actual evolutionary mechanisms involved. The study of such mechanisms requires exploring the variation in GP maps at the population level, which presently is easier to quantify by statistical genetic methods rather than by regulatory network structures. We focus on the evolution of pleiotropy, a major structural aspect of the GP map. Pleiotropic genes affect multiple traits and underlie genetic covariance between traits, often causing evolutionary constraints. Previous quantitative genetic studies have demonstrated population‐level variation in pleiotropy in the form of loci, at which genotypes differ in the genetic covariation between traits. This variation can potentially fuel evolution of the GP map under selection and/or drift. Here, we propose a developmental mechanism underlying population genetic variation in covariance and test its predictions. Specifically, the mechanism predicts that the loci identified as responsible for genetic variation in pleiotropy are involved in trait‐specific epistatic interactions. We test this prediction for loci affecting allometric relationships between traits in an advanced intercross between inbred mouse strains. The results consistently support the prediction. We further find a high degree of sign epistasis in these interactions, which we interpret as an indication of adaptive gene complexes within the diverged parental lines. J. Exp. Zool. (Mol. Dev. Evol.) 316:371–385, 2011. © 2011 Wiley‐Liss, Inc.
Synthesis of spiro thiazolo[3,2‐a]pyrimidine compounds by one‐pot sequential 1,3‐dipolar cycloadditions
Authors: Li Xiaofang , Zheng Aiting , Liu Bin , Li Guobin , Yu Xianyong , Yi Pinggui 
Published: April 2011

AbstractA new class of spiro thiazolo[3,2‐a]pyrimidine compounds were synthesized by the one‐pot sequential 1,3‐dipolar cycloaddition of azomethine ylide (generated from isatin and sarcosine)–nitrile oxide to 2‐arylmethylidene‐6,7‐dihydro‐5H‐thiazolo[3,2‐a]pyrimidin‐3‐ones in moderate yields. The structures of all the products were characterized thoroughly by NMR, MS, IR, elemental analysis, and NMR together with X‐ray crystallographic analysis. J. Heterocyclic Chem., (2011).
7‐Azacinnolin‐4(1H)‐one preparation and NMR studies of tautomery
Authors: Stockmann Vegar , Primpke Sebastian , Fiksdahl Anne 
Published: March 2011

AbstractAs part of our current investigations of nitropyridines, we hereby report the preparation of a new annulated heterocycle by C‐azo coupling. Thus, the azacinnoline, pyrido[3,4‐c]pyridazin‐4(1H)‐one (38%), was prepared from 4‐acetyl‐3‐aminopyridine via diazotization. 1H, 13C, and 15N NMR spectroscopic investigations revealed that the azacinnoline exclusively exists in the NH‐keto tautomeric form in DMSO‐d6, CD3OD, and D2O. J. Heterocyclic Chem., (2011).
Relationship between daily atmospheric circulation types and winter dry/wet spells in western Iran
Authors: Raziei Tayeb , Bordi Isabella , Pereira Luis S. , Corte‐Real João , Santos João A. 
Published: April 2011

AbstractAiming at better understanding the causes and processes leading to meteorological dry and wet episodes in western Iran, the present study investigates the space and time variability of winter dry/wet events and their associated large‐scale atmospheric driving circulations. Using monthly precipitation data of 140 weather stations for 1965–2000, meteorological dry/wet spells are assessed through the 1‐month Standardized Precipitation Index (SPI). By applying the Principal Component Analysis (PCA) with Varimax rotation to the SPI field, three sub‐regions of independent climatic variability are identified. Large‐scale daily atmospheric circulation patterns are then classified into twelve circulation types (CTs) by applying PCA to the 500 hPa geopotential height fields coupled with the non‐iterative K‐means clustering technique, in which extreme rotated principal component scores, in their positive and negative phases, are considered as potential groups and their centroids are computed by averaging all days that fulfil the extreme score criterion. The linkage between daily CTs and winter dry/wet spells in the region is investigated by correlating the frequencies of occurrence of each CT with the time series of dry/wet events, derived from both the rotated principal component scores of SPI and the SPI series at three representative stations of the identified sub‐regions. Severe/extreme events have also been considered. A performance index is applied to test the relationship between CTs and dry/wet events. Results show statistically significant correlations between the frequencies of occurrence of the identified CTs and of dry/wet spells at the three representative stations, suggesting that particular CTs are potential predictors for the winter dry/wet events in western Iran. Copyright © 2011 Royal Meteorological Society
Simulation of fracture healing in the tibia: Mechanoregulation of cell activity using a lattice modeling approach
Authors: Byrne Damien P. , Lacroix Damien , Prendergast Patrick J. 
Published: April 2011

AbstractIn this study, a three‐dimensional (3D) computational simulation of bone regeneration was performed in a human tibia under realistic muscle loading. The simulation was achieved using a discrete lattice modeling approach combined with a mechanoregulation algorithm to describe the cellular processes involved in the healing process—namely proliferation, migration, apoptosis, and differentiation of cells. The main phases of fracture healing were predicted by the simulation, including the bone resorption phase, and there was a qualitative agreement between the temporal changes in interfragmentary strain and bending stiffness by comparison to experimental data and clinical results. Bone healing was simulated beyond the reparative phase by modeling the transition of woven bone into lamellar bone. Because the simulation has been shown to work with realistic anatomical 3D geometry and muscle loading, it demonstrates the potential of simulation tools for patient‐specific pre‐operative treatment planning. © 2011 Orthopaedic Research Society. Published by Wiley Periodicals, Inc. J Orthop Res 29: 1496–1503, 2011
Assessment of the profiling MicroRNA expression of differentiated and dedifferentiated human adult articular chondrocytes
Authors: Lin Lin , Shen Qi , Zhang Chenguang , Chen Lianxu , Yu Changlong 
Published: April 2011

AbstractMicroRNA has an important role in regulating gene expression during cell differentiation. In this study we identified the expression pattern of microRNA in the differentiated and dedifferentiated chondrocytes. Adult human articular chondrocytes were cultured in monolayer. RNA was isolated from the differentiated chondrocytes (collected after isolation) and the fifth‐passage (dedifferentiated) chondrocytes, and subjected to gene expression analysis using microRNA and cDNA microarray analysis. Real‐time RT‐PCR was also performed to confirm the differentially expressed genes. Furthermore, we integrated microRNA and cDNA microarray data together with computational approaches, such as microRNA gene target prediction algorithms, to reveal the role of microRNAs involved in chondrocyte homeostasis. The results showed a dramatic change in expression of microRNA between the two cell types. Thirteen up‐regulated and 12 down‐regulated microRNAs were detected in differentiated chondroctes. We also revealed microRNA–gene target pairs potentially involved in dedifferentiation process. Our results revealed novel findings of differential expression of microRNA in dedifferentiation, and microRNA could have an important role in the maintenance of chondrocytes homeostasis. MicroRNA may be a target for cartilage tissue engineering and regenerative medicine. © 2011 Orthopaedic Research Society. Published by Wiley Periodicals, Inc. J Orthop Res 29: 1578–1584, 2011
Noninvasive molecular identification of particulate matter in lungs by Raman microspectrometry
Authors: Falgayrac Guillaume , Chérot‐Kornobis Nathalie , Broucker Virginie de , Hulo Sébastien , Edmé Jean‐Louis , Sobaszek Annie , Penel Guillaume 
Published: April 2011

AbstractA new method for the analysis of particulate matter in lungs is proposed. It combines the exhaled breath condensate technique and Raman spectroscopy. The sampling method is noninvasive, which is suitable for the detection of occupational exposure to dust. The chemical composition of dust particles is assessed by Raman microspectroscopy. The effectiveness of this method as a means of identifying markers of occupational exposure to mica dust is evaluated. Copyright © 2011 John Wiley & Sons, Ltd.
Study of Raman spectrum of uranium using a surface‐enhanced Raman scattering technique
Authors: Ravindran T. R. , Arora A. K. 
Published: April 2011

AbstractRaman spectroscopic investigation on weak scatterers such as metals is a challenging scientific problem. Technologically important actinide metals such as uranium and plutonium have not been investigated using Raman spectroscopy possibly due to poor signal intensities. We report the first Raman spectrum of uranium metal using a surface‐enhanced Raman scattering‐like geometry where a thin gold overlayer is deposited on uranium. Raman spectra are detected from the pits and scratches on the sample and not from the smooth polished surface. The 514.5‐ and 785‐nm laser excitations resulted in the Raman spectra of uranium metal whereas 325‐nm excitation did not give rise to such spectra. Temperature dependence of the B3g mode at 126 cm−1 is also investigated. Copyright © 2011 John Wiley & Sons, Ltd.
Spectroscopic investigations and computational study of sulfur trioxide–pyridine complex
Authors: Anto P. L. , Anto Ruby John , Varghese Hema Tresa , Panicker C. Yohannan , Philip Daizy , Andrade Gustavo F. S. , Brolo Alexandre G. 
Published: April 2011

AbstractThe Fourier transform infrared (FT‐IR) and FT‐Raman spectra of sulfur trioxide‐pyridine complex were recorded and analyzed. The potential‐dependent surface‐enhanced Raman scattering (SERS) was recorded from an electrochemically roughened silver electrode. The vibrational wave numbers of the compound were computed using the Hartree–Fock/6‐31G* basis and compared with the experimental values. The presence of strong pyridine ring vibrations in the SERS spectrum reveals the interaction between the pyridine ring and the silver surface. The molecule is adsorbed on the silver surface with the pyridine ring in a tilted orientation. The direction of charge‐transfer contribution to the SERS is discussed from the frontier orbital theory. The value of the calculated first hyperpolarizability is comparable to those reported for similar structures, which makes this molecule an attractive object for future studies of nonlinear optics. The optimized geometrical parameters of the title compound are in agreement with similar reported structures. Copyright © 2011 John Wiley & Sons, Ltd.
SERS detection of explosive agent by macrocyclic compound functionalized triangular gold nanoprisms
Authors: Xu Jing Yao , Wang Jin , Kong Ling Tao , Zheng Guang Chao , Guo Zheng , Liu Jin Huai 
Published: April 2011

AbstractTriangular gold nanoprisms with high yield percentage were synthesized via the seed‐mediated approach and functionalized by mono‐6‐thio‐β‐cyclodextrin without alkyl chain. The undecorated and decorated triangular gold nanoprisms were characterized and analyzed. Moreover, the novel decorated triangular gold nanoprisms were used as surface‐enhanced Raman spectroscopy (SERS) substrates for chemical sensing of the explosive agent 2,4‐dinitrotoluene (DNT). The vibrational bands in the experimental SERS spectrum were assigned with the aid of density functional theoretical simulation. The analytical enhancement factor of the hybridized triangular gold nanoprisms for the detection of DNT has been obviously increased in contrast with hybridized spherical gold nanoparticles, suggesting that the former are excellent SERS substrates. Compared to some other approaches, the limit of detection can be remarkably improved (qualified as sub‐ppb level), which indicates that the excellent chemical sensing of decorated triangular gold nanoprisms can be widely applied to trace analysis of explosive or warfare agents. Copyright © 2011 John Wiley & Sons, Ltd.