bluuebunny/crossref_metadata_2025_split huggingface dataset:
Effect of the extraction solvent polarity on the sesame seeds oil composition
Authors: Tir Rachid , Dutta Paresh C. , Badjah‐Hadj‐Ahmed Ahmed Yacine 
Published: October 2012

AbstractThis study highlights the effect of solvent polarity on the yield (Y%) and properties of oil extracted from Algerian sesame seeds. Extractions were carried out under Soxhlet conditions with the following solvents: hexane (Hx), ethanol (Eth), acetone (Ac), dichloromethane (Di), isopropanol (Iso), hexane:isopropanol (Hx:Iso), and chloroform:methanol (Chf:Me). The sesame oil yield obtained using different solvents ranged from 28.86 to 52.83%. Fatty acids and sterols analyses were performed by GC on capillary column. γ‐Tocopherol was the major tocochromanol compound detected by HPLC‐fluorescence. Fourteen fatty acids were identified, with the predominance of oleic and linoleic acids. The main sterol in sesame oil was β‐sitosterol, followed by stigmasterol, campesterol, and Δ5‐avenasterol which were present in lower concentrations. High correlations were found between arachidic, gadoleic, behenic, and lignoceric acids concentrations; these results were explained by the metabolic biosynthesis pathway of the biologically active long‐chain PUFA by successive elongation and desaturation. Principal component analysis (PCA) of the data obtained from sesame oil composition enabled an easy comparison of the different extraction solvents, and correlated their properties with the most characteristic components of the extracted oils with a view to understand solvent–oil interaction, and to establish the effects of extracting solvent on such oil composition.Practical applications: This study showed that the choice of solvent depends largely on the desired fraction to be extracted. Sesame oil was better extracted with less‐polar solvents but membrane‐associated lipids are more polar and require polar solvents capable of breaking hydrogen bonds or electrostatic forces. Owing to the differences in solvent capacity, the fatty acids, sterols, and tocopherols extracted along with the oil vary, leading to differences in the quality of the extracted oil. The results obtained in this study could be applied in industrial extraction to encourage the use of alternative extraction solvents.
Soybean oil‐based shape‐memory polyurethanes: Synthesis and characterization
Authors: Miao Shida , Wang Ping , Su Zhiguo , Liu Youyan , Zhang Songping 
Published: October 2012

AbstractShape‐memory polymers (SMPs) have wide range of applications due to their ability to sense environmental stimuli and reshape from a temporary shape to a permanent shape. Plant oil‐based polymeric materials are highly concerned in recent years in consideration of petroleum depletion and environmental pollution. However, plant oil‐based polymers are rarely investigated regarding their shape‐memory characteristics though bio‐based SMPs are highly desired nowadays. In this study, a series of soybean oil‐based shape‐memory polyurethanes (SSMPUs) are prepared through a mild chemo‐enzymatic synthetic route, and their properties are fully characterized with tensile testing, DSC, dynamic mechanical analysis (DMA), and shape‐memory testing. Results show that SSMPUs are soft rubbers with tensile strength in the range of 1.9–2.2 MPa and glass transition temperature in the range of 2–5°C, and possess good shape recoveries at RT when stretching ratio is 10, 20, and 30%, respectively. This work would promote the development of high‐value‐added plant oil‐based shape‐memory polyurethanes.Practical applications: Using annual renewable plant oil as feedstock, the synthesized SSMPUs show good shape recovery properties, which will make them applicable as potential alternatives to petroleum‐based shape‐memory materials. The simple and mild preparation process also contributes to the further exploration of plant oil to value‐added functional materials.
Chlorinated BODIPYs: Surprisingly Efficient and Highly Photostable Laser Dyes
Authors: Duran‐Sampedro Gonzalo , Agarrabeitia Antonia R. , Garcia‐Moreno Inmaculada , Costela Angel , Bañuelos Jorge , Arbeloa Teresa , López Arbeloa Iñigo , Chiara Jose Luis , Ortiz María J. 
Published: October 2012

AbstractA series of mono‐ to hexachlorinated BODIPY dyes have been prepared in good to excellent yields through the use of N‐chlorosuccinimide as an inexpensive halogenating reagent. This library of chlorinated dyes allowed analysis in detail, from the experimental and theoretical points of view, of the dependency of the photophysical and optical properties of the dyes on the number and positions of the chlorine substituents on their BODIPY cores. Quantum mechanical calculations predict the regioselectivity of the halogenation reaction and explain why some positions are less prone to chlorination. The new chlorinated BODIPYs exhibit enhanced laser action with respect to their non‐halogenated analogues, both in liquid solution and in the solid phase. In addition, chlorination is a facile and essentially costless protocol for overcoming important shortcomings exhibited by commercially available BODIPYs, which should favor their practical applications in optical and sensing fields.
Effects of non‐catalytic, distal amino acid residues on activity of E. coli DinB (DNA polymerase IV)
Authors: Walsh Jason M. , Parasuram Ramya , Rajput Pradyumna R. , Rozners Eriks , Ondrechen Mary Jo , Beuning Penny J. 
Published: October 2012

AbstractDinB is one of two Y family polymerases in E. coli and is involved in copying damaged DNA. DinB is specialized to bypass deoxyguanosine adducts that occur at the N2 position, with its cognate lesion being the furfuryl adduct. Active site residues have been identified that make contact with the substrate and carry out deoxynucleotide triphosphate (dNTP) addition to the growing DNA strand. In DNA polymerases, these include negatively charged aspartate and glutamate residues (D8, D103, and E104 in E. coli DNA polymerase IV DinB). These residues position the essential magnesium ions correctly to facilitate nucleophilic attack by the primer hydroxyl group on the α‐phosphate group of the incoming dNTP. To study the contribution of DinB residues to lesion bypass, the computational methods THEMATICS and POOL were employed. These methods correctly predict the known active site residues, as well as other residues known to be important for activity. In addition, these methods predict other residues involved in substrate binding as well as more remote residues. DinB variants with mutations at the predicted positions were constructed and assayed for bypass of the N2‐furfuryl‐dG lesion. We find a wide range of effects of predicted residues, including some mutations that abolish damage bypass. Moreover, most of the DinB variants constructed are unable to carry out the extension step of lesion bypass. The use of computational prediction methods represents another tool that will lead to a more complete understanding of translesion DNA synthesis. Mol. Mutagen. 2012. © 2012 Wiley Periodicals, Inc.
Germline variation in TP53 regulatory network genes associates with breast cancer survival and treatment outcome
Authors: Jamshidi Maral , Schmidt Marjanka K. , Dörk Thilo , Garcia‐Closas Montserrat , Heikkinen Tuomas , Cornelissen Sten , van den Broek Alexandra J. , Schürmann Peter , Meyer Andreas , Park‐Simon Tjoung‐Won , Figueroa Jonine , Sherman Mark , Lissowska Jolanta , Keong Garrett Teoh Hor , Irwanto Astrid , Laakso Marko , Hautaniemi Sampsa , Aittomäki Kristiina , Blomqvist Carl , Liu Jianjun , Nevanlinna Heli 
Published: October 2012

AbstractGermline variation in the TP53 network genes PRKAG2, PPP2R2B, CCNG1, PIAS1 and YWHAQ was previously suggested to have an impact on drug response in vitro. Here, we investigated the effect on breast cancer survival of germline variation in these genes in 925 Finnish breast cancer patients and further analyzed five single nucleotide polymorphisms (SNPs) in PRKAG2 (rs1029946, rs4726050, rs6464153, rs7789699) and PPP2R2B (rs10477313) for 10‐year survival in breast cancer patients, interaction with TP53 R72P and MDM2‐SNP309, outcome after specific adjuvant therapy and correlation to tumor characteristics in 4,701 invasive cases from four data sets. We found evidence for carriers of PRKAG2‐rs1029946 and PRKAG2‐rs4726050 having improved survival in the pooled data (HR 0.53, 95% CI 0.3–0.9; p = 0.023 for homozygous carriers of the rare G‐allele and HR 0.85, 95% CI 0.7–0.9; p = 0.049 for carriers of the rare G allele, respectively). PRKAG2‐rs4726050 showed a significant interaction with MDM2‐SNP309, with PRKAG2‐rs4726050 rare G‐allele having a dose‐dependent effect for better breast cancer survival confined only to MDM2 SNP309 rare G‐allele carriers (HR 0.45, 95% CI 0.2–0.7; p = 0.001). This interaction also emerged as an independent predictor of better survival (p = 0.047). PPP2R2B‐rs10477313 rare A‐allele was found to predict better survival (HR 0.82, 95% CI 0.6–0.9; p = 0.018), especially after hormonal therapy (HR 0.66, 95% CI 0.5–0.9; p = 0.048). These findings warrant further studies and suggest that genetic markers in TP53 network genes such as PRKAG2 and PPP2R2B might affect prognosis and treatment outcome in breast cancer patients.
CovalentDock: Automated covalent docking with parameterized covalent linkage energy estimation and molecular geometry constraints
Authors: Ouyang Xuchang , Zhou Shuo , Su Chinh Tran To , Ge Zemei , Li Runtao , Kwoh Chee Keong 
Published: October 2012

AbstractCovalent linkage formation is a very important mechanism for many covalent drugs to work. However, partly due to the limitations of proper computational tools for covalent docking, most covalent drugs are not discovered systematically. In this article, we present a new covalent docking package, the CovalentDock, built on the top of the source code of Autodock. We developed an empirical model of free energy change estimation for covalent linkage formation, which is compatible with existing scoring functions used in docking, while handling the molecular geometry constrains of the covalent linkage with special atom types and directional grid maps. Integrated preparation scripts are also written for the automation of the whole covalent docking workflow. The result tested on existing crystal structures with covalent linkage shows that CovalentDock can reproduce the native covalent complexes with significant improved accuracy when compared with the default covalent docking method in Autodock. Experiments also suggest that CovalentDock is capable of covalent virtual screening with satisfactory enrichment performance. In addition, the investigation on the results also shows that the chirality and target selectivity along with the molecular geometry constrains are well preserved by CovalentDock, showing great capability of this method in the application for covalent drug discovery. © 2012 Wiley Periodicals, Inc.
Characterization of Nano‐porous TiO2 Film Prepared by Sol‐gel Process and Its Application to Dye‐sensitized Solar Cell
Authors: Chiou Brandon , Yang Ru‐Yuan , Chuang Hui‐Ju , Chu Cheng‐Jye 
Published: October 2012

AbstractIn this paper, effects of ethylene glycol (EG) and indium tin oxide (ITO) solution on the morphology, porosity, and roughness of TiO2 film prepared by sol‐gel process were investigated and discussed. Initially, the addition of EG were used to control the viscosity of the solution and it was found to increase the pore size of TiO2 film. The various TiO2 films were investigated and characterized by scanning electron microscopy (SEM) and atomic force microscopy (AFM) and then assembled to dye‐sensitized solar cell (DSSC) to measure the photoelectric conversion efficiency. The optimum efficiencies of 1.32% with Jsc and Voc of 2.99 mA/cm2 and 0.80 V, respectively, were obtained by the TiO2 film prepared from a solution containing 20 wt% EG.
A New, Fast and Easy Strategy for One‐pot Synthesis of Full Substituted Cyclopropanes: Direct Transformation of Aldehydes to 3‐Aryl‐1,1,2,2‐tetracyanocyclopropanes
Authors: Pesyan Nader Noroozi , Kimia Mohammad Ali , Jalilzadeh Mohammad , Şahin Ertan 
Published: October 2012

AbstractA new, fast and easy method for one‐pot reaction of aromatic aldehydes and dialdehydes with malononitrile and cyanogen bromide has been developed to afford full substituted 3‐arylcyclopropane‐1,1,2,2‐tetracarbonitriles in excellent yields in very short time (about 5 seconds). The structures elucidations werev characterized by IR, 1H NMR, 13C NMR, mass spectrometry and X‐ray crystallography techniques. For vthese compounds the crystallographic data showed two structures in mirror image in solid case and one distinct structure in solution. The reaction mechanism was discussed.
MRT letter: Quantum noise removal and classification of breast mammogram images
Authors: Naseem M. Talha , Sulong Ghazali Bin , Jaffar M. Arfan 
Published: October 2012

AbstractBecause of the limitations of the X‐ray hardware systems in mammogram machines, the quality of the breast mammogram images may undergo from poor resolution or low contrast. Quantum noise occurs in the mammogram images during acquisition due to low‐count X‐ray photons. In this work, an adaptive frost filter has been used to remove quantum noise. Local binary patterns have been extracted to classify breast mammograms into benign and malignant using different classifiers. Results show the superiority of the proposed algorithm in terms of sensitivity, specificity, and accuracy. Mammographic Institute Society Analysis database of mammography has been used for experimentation. Peak signal‐to‐noise ratio and structural similarity index measure are used to test the validity of adaptive frost filter. Experiment results show that proposed technique produces better results. Microsc. Res. Tech. 2012. © 2012 Wiley Periodicals, Inc.
A template‐based automatic skull‐stripping approach for mouse brain MR microscopy
Authors: Lin Lan , Wu Shuicai , Yang Chunlan 
Published: October 2012

AbstractSmall animal magnetic resonance microscopy (MRM) has been widely used today in computational neuroanatomy. Accurate identification of brain tissue in a mouse MRM is a critical fundamental step in neuroimaging processing, which is given less attention. This study presents an automatic skull‐stripping technique based on template models and histogram analysis. Results were evaluated by calculating the Jaccard similarity index (JSI) and boundary concordance ratio (BCR) between the automatically segmented and manually traced brain volumes. Results demonstrate that this technique accurately extracts the brain volume (mean JSI = 97.1%, BC = 94.4%). The brain extraction method presented in this study will greatly facilitate analysis of neuroimaging studies of rodent animals in neurodegenerative diseases. Microsc. Res. Tech. 2013. © 2012 Wiley Periodicals, Inc.
Effects of treatment of the fat body trophocytes of Melipona quadrifasciata anthidioides nurse workers and virgin queens in culture by juvenile hormone III and ecdysterone (20‐HE)
Authors: Paes‐De‐Oliveira Vagner Tadeu , Berger Bruno , Poiani Silvana Beani , Paulino Simões Zilá Luz , Da Cruz‐Landim Carminda 
Published: October 2012

AbstractThe fat body (FB) consists of two types of cells: throphocytes and oenocytes. Throphocytes are related to intermediary metabolism storing lipids, carbohydrates, and proteins while oenocytes play role in the lipids and lipoproteins production. The vitellogenin is the precursor of egg yolk (vitelline) and is synthesized on FB. The aim of this work was to analyze the effects of hormones acting in bee reproduction, as juvenile hormone (JH) and ecdisteroids (20 HE) on FB cells, where vitellogenin is synthesized. For the study were chose nurse workers that in Melipona quadrifasciata anthidioides present activated ovaries and produce eggs, and virgin queens whose ovaries are not yet activated, presenting only previtellogenic follicles. FB trophocytes from these classes of bees were cultivated in media containing different amounts of JH and 20‐HE. The effects on trophocytes cytoplasm reserves of lipids, proteins, and activity of acid phosphatase were compared by observing preparations from cultured FB, treated and control, by transmission electron microscopy (TEM). The results showed that the hormones effects are related to the bee's caste and functional ovary stage. The role of acid phosphatase on mobilization of the trophocyte reserves was also determined. Microsc. Res. Tech. 2013. © 2012 Wiley Periodicals, Inc.
An asynchronous regional regression model for statistical downscaling of daily climate variables
Authors: Stoner Anne M. K. , Hayhoe Katharine , Yang Xiaohui , Wuebbles Donald J. 
Published: October 2012

ABSTRACTThe asynchronous regional regression model (ARRM) is a flexible and computationally efficient statistical model that can downscale station‐based or gridded daily values of any variable that can be transformed into an approximately symmetric distribution and for which a large‐scale predictor exists. This technique was developed to bridge the gap between large‐scale outputs from atmosphere–ocean general circulation models (AOGCMs) and the fine‐scale output required for local and regional climate impact assessments. ARRM uses piecewise regression to quantify the relationship between observed and modelled quantiles and then downscale future projections. Here, we evaluate the performance of three successive versions of the model in downscaling daily minimum and maximum temperature and precipitation for 20 stations in North America from diverse climate zones. Using cross‐validation to maximize the independent comparison period, historical downscaled simulations are evaluated relative to observations in terms of three different quantities: the probability distributions, giving a visual image of the skill of each model; root‐mean‐square errors; and bias in nine quantiles that represent both means and extremes. Successive versions of the model show improved accuracy in simulating extremes, where AOGCMs are often most biased and which are frequently the focus of impact studies. Overall, the quantile regression‐based technique is shown to be efficient, robust, and highly generalizable across multiple variables, regions, and climate model inputs.
Contribution of dogs to white‐tailed deer hunting success
Authors: Godwin Christopher , Schaefer James A. , Patterson Brent R. , Pond Bruce A. 
Published: October 2012

AbstractDogs (Canis familiaris) are used in hunting white‐tailed deer (Odocoileus virginianus) in 10 North American jurisdictions. Although the practice is longstanding and controversial, the effects of dogs on the outcome of the hunt have rarely been studied. We evaluated the influence of dogs on recreational hunting of white‐tailed deer based on long‐term data from southeastern Ontario, Canada. Over 25 years, annual surveys of hunters were used to collect data on hunting effort and deer harvest from approximately 85 camps, roughly half of which had dogs. We investigated the relationship between harvest and 3 treatments (i.e., 0 dogs, 1 dog, and ≥2 dogs in camp), interactions with weather and deer density, and effects of neighboring camps. Dogs enhanced hunter success. We found no difference in deer encounter rates but, per unit effort, camps with ≥2 dogs harvested 0.013 (26%) more deer per hunter‐day, missed 0.010 (23%) more deer per hunter‐day, and wounded 0.002 (40%) more deer per hunter‐day than camps without dogs. Conversely, camps without dogs saw, without shooting at, 0.033 (23%) more deer per hunter‐day than camps with ≥2 dogs. These results are consistent with the idea that hunters with dogs are less selective. Hunters with dogs harvested more fawns per unit effort, but we found no difference in the harvest rate of older female deer. More precipitation, greater wind speed, lower temperatures and greater deer density improved harvest success but had no differential effect among dog treatments. Hunter success at camps with ≥2 dogs was less when neighboring camps also had ≥2 dogs. Because antlerless deer quotas are the principal means to control populations, increasing use of hunting dogs is unlikely to have substantial effects in managing overabundant deer. © 2012 The Wildlife Society.
Synthesis and Photovoltaic Properties of a Donor‐Acceptor Copolymer of Dithienosilole and 5,6‐Bis(octyloxy)benzo[1,2,5]thiadiazole
Authors: Huang Youguang , Zhang Maojie , Jing Yan , Fan Huili , Guo Xia , Li Yongfang 
Published: October 2012

AbstractA donor‐acceptor (D‐A) copolymer, PDTSDOBT, based on dithienosilole and 5,6‐bis(octyloxy)benzo[1,2,5]thiadiazole is synthesized by Pd‐catalyzed Stille coupling reaction for application as a donor material in polymer solar cells (PSCs). The polymer shows good thermal stability, strong absorption in the visible region, and a relatively low bandgap of 1.63 eV. The hole mobility of PDTSDOBT as measured by SCLC is 5.58 × 10−4 cm2 V−1 s−1. The power conversion efficiency of a PSC based on PDTSDOBT: PC70BM (1:2 w/w) is 3.51% with a short‐circuit current density of 8.96 mA cm−2, an open‐circuit voltage of 0.69 V, and a fill factor of 0.568, under the 100 mW cm−2 AM1.5G illumination.
Photomechanical Response of Pre‐strained Azobenzene‐Functionalized Polyimide Materials
Authors: Lee Kyung Min , Wang David H. , Koerner Hilmar , Vaia Richard A. , Tan Loon‐Seng , White Timothy J. 
Published: October 2012

AbstractRecently, we have reported that azobenzene‐functionalized polyimide materials exhibit a substantial increase in photogenerated stress in comparison to azobenzene‐functionalized acrylate‐based liquid crystal polymer networks. Here, we show that pre‐straining the azo‐CP2‐20 material further increases the magnitude of the photomechanical response visualized as bending in the cantilever geometry as well as in direct measurements of photogenerated stress. Additionally, we also report on the ability to optically fix both optically and mechanically generated shapes in azo‐CP2‐20. The optically fixable shape memory of azo‐CP2‐20 is enabled by the introduction of excess free volume during thermal processing as the material was pre‐strained.magnified image
The Scaling Law between Molecular Mass and Diffusivity and its Influence on the Molecular Weight Distribution as Derived from a Stretched Exponential PGSTE NMR Response Curve
Authors: Gong Xiaoliang , Hansen E. W. , Chen Qun 
Published: October 2012

AbstractThe molecular weight distribution characteristics derived from an inverse Laplace transformation (ILT) of a stretched exponential PGSTE NMR response function (SEF) is discussed with reference to the scaling law between diffusivity (D) and molecular mass (M) (D = KM−α). Two general equations are presented, enabling the polydispersity index (PDI) and the average molecular weights (Mw, Mn, and Mmed) to be determined from α and the two characteristic parameters β and D0 of the (normalized) SEF (= exp [(−D0t)β]). A detailed discussion regarding the derivation of the two equations is presented.