bluuebunny/crossref_metadata_2025_split huggingface dataset:
A 1.5‐D anisotropic sigma‐coordinate thermal stress model of landlocked sea ice in the Canadian Arctic Archipelago
Authors: Hata Y. , Tremblay L. B. 
Published: November 2015

AbstractWe present a 1.5‐D thermal stress model that takes into account the effect of land confinement, which causes anisotropy in thermal stresses. To this end, we fix the total strain in the direction perpendicular to the coastline to its value at landlocked ice onset. This prevents thermal expansion in the direction perpendicular to the coastline and therefore induces larger thermal stresses in this direction. The simulated stresses best match the observations, when a Young's Modulus of 0.5 GPa and a relaxation time constant of 8 days are used. This simulation gives root‐mean‐square errors of 13.0 and 13.1 kPa (∼15%) in the major and minor principal stresses, respectively. The simulated anisotropic component of thermal stress also generally agrees with observations. The optimal Young's Modulus is in the low range of reported values in the literature, and the optimal relaxation time constant (8 days) is larger than the largest relaxation time constant reported in the literature (5 days). A series of experiments are done to examine the model sensitivity to vertical resolution, snow cover, and the parameterizations of Young's Modulus and viscous creep. Results show that a minimum of one and three layers in the snow and ice, respectively, is required to simulate the thermal stresses within 15% error of the value assessed with the higher‐resolution control simulation. This highlights the importance of resolving the internal snow and ice vertical temperature profile in order to properly model the thermal stresses of sea ice.
Assessment of the variability of pollutants concentration over the metropolitan area of São Paulo, Brazil, using the wavelet transform
Authors: Zeri M. , Carvalho V. S. B. , Cunha‐Zeri G. , Oliveira‐Júnior J. F. , Lyra G. B. , Freitas E. D. 
Published: November 2015

AbstractThe objective of this work was to investigate the mean and variability of a dataset of pollutant concentrations from measurements taken over the metropolitan area of São Paulo city, Brazil. Wavelet analysis was applied to the time series of pollutant concentrations, revealing the strongest harmonics influencing the signals. A mode of variability of 4–8 days was significant until the middle of the last decade and is likely associated with the approach and passage of meteorological systems. A dataset representing the number of frontal systems moving across the state helped to explain the interannual variability during wintertime. Years with fewer frontal systems had higher levels of pollutants in several locations. Weather events such as inversions and the passage of frontal systems influence the concentration of pollutants. Public policies on air quality should focus not only on reducing the long‐term exposure of city‐dwellers to the negative effects of pollutants but also account for the possible short‐term effects of the weather on air quality.
Development and validation of an LC/MS/MS method for simultaneous determination of shionone and epi‐friedelinol in rat plasma for pharmacokinetic study after oral administration of Aster tataricus extract
Authors: Yin De‐Feng , Zhou Kai , Liu Ji‐Tao , Hu Li , Liu Ying , Deng Jun , Wang Song‐Ping , Xiong Ying , Zhong Wu 
Published: November 2015

AbstractA rapid and sensitive liquid chromatography tandem mass spectrometry (LC/MS/MS) method was developed and validated using spinasterol as the internal standard (IS) for the simultaneous determination of shionone and epi‐friedelinol in rat plasma. Plasma samples were pretreated using liquid–liquid extraction with ethyl ether. Chromatographic separation was achieved on a C18 column (100 × 2.1 mm, 5 μm) with an isocratic elution consisting of acetonitrile–0.1% formic acid water (75:25, v/v) at a flow rate of 0.30 mL/min. Detection was performed under the selected reaction monitoring scan using an electrospray ionization in the positive ion mode. The mass transitions were as follows: m/z 427.4 → 95.1 for shionone, m/z 411.4 → 205.2 for epi‐friedelinol and m/z 395.3 → 105.2 for IS. All calibration curves exhibited good linearity (r > 0.995) over the concentration range for both components. The intra‐ and inter‐day precisions at three QC and lower limit of quantitation levels were both <10.21% in terms of relative standard deviation, and the accuracy ranged from −7.13 to 8.02% in terms of relative error. The extraction recoveries of the compounds ranged from 82.07 to 89.81%. The developed method was successfully applied to the pharmacokinetic study of shionone and epi‐friedelinol after oral administration of Aster tataricus extract to rats. Copyright © 2015 John Wiley & Sons, Ltd.
Re‐building Bridges: Homeless People's Views on the Role of Vocational and Educational Activities in Their Everyday Lives
Authors: Iveson Mandie , Cornish Flora 
Published: November 2015

AbstractHomeless people face everyday challenges of marginalisation and stigmatisation. Consequently, they can suffer from low self‐confidence, self‐efficacy and agency. Empirical research in Britain on educational, skill‐building and meaningful activities for homeless people principally emphasises the instrumental value of training and learning as a route to employment rather than the impact of activities on homeless people's everyday lives. Theoretical literature suggests that psychosocial benefits related to the development of self‐efficacy, agency and empowerment can be gained from such activities. Participants' experiences and perceptions of educational and recreational activities were examined through 29 interviews at three homeless day centres in London. Thematic analysis suggests the restorative power of engagement in activities and shows that participants value activities, not only as the foundation for future goals of finding employment and housing, but as an immediate way of restoring a sense of self and finding positive experiences with a focus on the present. The findings underline the importance of viewing these interventions from a ‘bottom‐up’ perspective. The study tentatively concludes that accepting and emphasising the immediate personal benefits as a positive achievement of activities may be a valuable approach to better engage homeless clients. Copyright © 2015 John Wiley & Sons, Ltd.
Approaching the Kinetic Inertness of Macrocyclic Gadolinium(III)‐Based MRI Contrast Agents with Highly Rigid Open‐Chain Derivatives
Authors: Tircsó Gyula , Regueiro‐Figueroa Martín , Nagy Viktória , Garda Zoltán , Garai Tamás , Kálmán Ferenc Krisztián , Esteban‐Gómez David , Tóth Éva , Platas‐Iglesias Carlos 
Published: November 2015

AbstractA highly rigid open‐chain octadentate ligand (H4cddadpa) containing a diaminocylohexane unit to replace the ethylenediamine bridge of 6,6′‐[(ethane‐1,2 diylbis{(carboxymethyl)azanediyl})bis(methylene)]dipicolinic acid (H4octapa) was synthesized. This structural modification improves the thermodynamic stability of the Gd3+ complex slightly (log KGdL=20.68 vs. 20.23 for [Gd(octapa)]−) while other MRI‐relevant parameters remain unaffected (one coordinated water molecule; relaxivity r1=5.73 mm−1 s−1 at 20 MHz and 295 K). Kinetic inertness is improved by the rigidifying effect of the diaminocylohexane unit in the ligand skeleton (half‐life of dissociation for physiological conditions is 6 orders of magnitude higher for [Gd(cddadpa)]− (t1/2=1.49×105 h) than for [Gd(octapa)]−. The kinetic inertness of this novel chelate is superior by 2–3 orders of magnitude compared to non‐macrocyclic MRI contrast agents approved for clinical use.
Copper Causes Regiospecific Formation of C4F8‐Containing Six‐Membered Rings and their Defluorination/Aromatization to C4F4‐Containing Rings in Triphenylene/1,4‐C4F8I2 Reactions
Authors: Rippy Kerry C. , Bukovsky Eric V. , Clikeman Tyler T. , Chen Yu‐Sheng , Hou Gao‐Lei , Wang Xue‐Bin , Popov Alexey A. , Boltalina Olga V. , Strauss Steven H. 
Published: November 2015

AbstractThe presence of Cu in reactions of triphenylene (TRPH) and 1,4‐C4F8I2 at 360 °C led to regiospecific substitution of TRPH ortho C(β) atoms to form C4F8‐containing rings, completely suppressing substitution on C(α) atoms. In addition, Cu caused selective reductive‐defluorination/aromatization (RD/A) to form C4F4‐containing aromatic rings. Without Cu, the reactions of TRPH and 1,4‐C4F8I2 were not regiospecific and no RD/A was observed. These results, supported by DFT calculations, are the first examples of Cu‐promoted 1) regiospecific perfluoroannulation, 2) preparative C−F activation, and 3) RD/A. HPLC‐purified products were characterized by X‐ray diffraction, low‐temperature PES, and 1H/19F NMR.
ChemInform Abstract: Ruthenium‐Catalyzed Monoalkenylation of Aromatic Ketones by Cleavage of Carbon—Heteroatom Bonds with Unconventional Chemoselectivity.
Authors: Kondo Hikaru , Akiba Nana , Kochi Takuya , Kakiuchi Fumitoshi 
Published: November 2015

AbstractA selective ruthenium‐catalyzed monoalkenylation of different carbon‐heteroatom bonds is presented.
ChemInform Abstract: Incredible Role of Glycerol in Multicomponent Synthesis of 2,3‐Dihydroquinazoline‐4(1H)‐ones and 1‐Amidoalkyl‐2‐naphthols.
Authors: Hajjami Maryam , Bakhti Fariba , Ghiasbeygi Elahe 
Published: November 2015

AbstractEfficient and simple multicomponent syntheses of quinazolinones (III) (9 examples) and 1‐amidoalkylnaphthols (VII) (11 examples) using glycerol as solvent are given.
ChemInform Abstract: Palladium(II) Complexes Containing ONO Tridentate Hydrazone for Suzuki—Miyaura Coupling of Aryl Chlorides in Aqueous‐Organic Media.
Authors: Arumugam Vignesh , Kaminsky Werner , Bhuvanesh Nattamai S. P. , Nallasamy Dharmaraj 
Published: November 2015

AbstractThe title complexes are highly active with 0.01 mol% loading and can be used for 5 cycles without significant loss of the activity.
ChemInform Abstract: One‐Pot Synthesis of Spiropyrroloquinoline‐Isoindolinone and Their Aza‐Analogues via the Ugi‐4CR/Metal‐Free Intramolecular Bis‐annulation Process.
Authors: Ghandi Mehdi , Zarezadeh Nahid , Abbasi Alireza 
Published: November 2015

AbstractCombination of an Ugi four‐component reaction with two intramolecular cyclizations affords the title compounds.
ChemInform Abstract: Palladium‐Catalyzed Triple Successive C—H Functionalization: Direct Synthesis of Functionalized Carbazoles from Indoles.
Authors: Verma Akhilesh K. , Danodia Abhinandan K. , Saunthwal Rakesh K. , Patel Monika , Choudhary Deepak 
Published: November 2015

AbstractIndole and substituted derivatives thereof are transformed according to the title reaction with electron‐deficient as well as electron‐rich alkenes.
ChemInform Abstract: One‐Pot Synthesis of 2‐Arylbenzoxazoles by Gas‐Free Carbonylation Using Dicobalt Octacarbonyl as a Solid Carbon Monoxide Source.
Authors: Baburajan Poongavanam , Elango Kuppanagounder P. 
Published: November 2015

AbstractThe synthesis of various title compounds is performed in a two‐step, one‐pot process and includes a simple water work‐up.
ChemInform Abstract: Double‐Stereodifferentiation in Rhodium‐Catalyzed [2 + 2 + 2] Cycloaddition: Chiral Ligand/Chiral Counterion Matched Pair.
Authors: Auge Mylene , Feraldi‐Xypolia Alexandra , Barbazanges Marion , Aubert Corinne , Fensterbank Louis , Gandon Vincent , Kolodziej Emilie , Ollivier Cyril 
Published: November 2015

AbstractA Rh(I) complex salt comprising both a chiral ligand and a chiral counterion is generated in situ, prior to addition of the educts, from the components shown in the scheme.
Depth Interpolation Using Tangent Planes on Superpixels of a Color Image
Authors: MATSUO KIYOSHI , AOKI YOSHIMITSU 
Published: November 2015

SUMMARYThis paper describes a method for accurately interpolating a low‐resolution depth image using a high‐resolution color image. In our method, first, tangent planes on each superpixel are estimated from sparse depth information and dense color information. Then, the neighboring superpixels that have smooth‐connectable tangent planes are connected, and image segmentation to smooth surfaces is achieved. Finally, the low‐resolution depth image is interpolated by using this smooth surface segmentation. In experiments with images from the Middlebury stereo data sets, our method interpolates each image at a high rate, and achieves the lowest error when compared to existing techniques.
Circuit Design Education by Introducing Circuit Diagram‐Based CPU Design
Authors: OHMURA MICHIROH , TANAKA TAKESHI 
Published: November 2015

SUMMARYThere are many subjects that relate to electrical and electronics circuits. Practical education for those subjects usually introduce hardware description languages such as VHDL and Verilog HDL, but it is not easy to understand the relation to basic logic circuits drawn as circuit diagrams. In this paper, we introduce practical education in which basic digital circuits are drawn, simulated, and executed on an experiment board with a programmable logic device, and then newly designed 2‐bit CPUs which use those basic digital circuits are drawn, simulated, and executed on the experiment board. Students can learn basic digital circuits themselves, and their operations which relate to each other in the newly designed 2‐bit CPU. The effectiveness of the newly introduced practical education is confirmed by tests and a questionnaire survey.
Carbonyl‐Terpyridyl‐Manganese Complexes: Syntheses, Crystal Structures, and Photo‐Activated Carbon Monoxide Release Properties
Authors: Compain Jean‐Daniel , Stanbury Matthew , Trejo Monica , Chardon‐Noblat Sylvie 
Published: November 2015

AbstractA set of tricarbonylmanganese(I) complexes derived from three differently substituted terpyridyl (terpy) ligands has been synthesized and characterized by various spectroscopic methods and single‐crystal X‐ray diffraction. The corresponding MnI dicarbonyl complexes, which are among the few examples of such compounds as yet described, were also prepared. The crystal structure of the Mn dicarbonyl species with the stabilizing p‐tolyl‐terpyridyl ligand was successfully obtained. The photochemical properties of all the tricarbonyl complexes have been investigated by using UV/Vis, IR, and NMR spectroscopy as characterization techniques; this detailed study shows the ability of the tricarbonyl MnI complexes to release one molar equivalent of CO in a perfectly controlled manner, a property useful for potential CO‐releasing molecules (CO‐RMs). The decarbonylation reaction is irreversible, and notably differs from what we had previously observed for the corresponding bipyridyl analogues as far as the products and kinetics are concerned. The comparison of the rate of CO decoordination of the different complexes is discussed.
Selective Complexation of S‐block Cations with Nanotubular Silk Type Cyclopeptides: A DFT Study
Authors: Teimouri Abbas , Najari Batoul , Chermahini Alireza Najafi , Farrokhpour Hossein 
Published: November 2015

AbstractDensity functional theory (DFT) was used to study the interaction of alkali metal cations (Li+, Na+ and K+) with cyclic peptides constructed from silk type macrocycles (Silk1, Silk2, Silk3, Silk4, Silk5 and Silk6). The calculated binding energies were used as a base for investigating the selectivity of the cyclic peptides in biniding to considered metals ions. The highest cation selectivity for Li+ compared to the other alkali metal ions was observed. The orbital nature of different interactions between the metal cations and the cyclic peptides was analyzed using NBO analysis. The main types of driving force for host‐guest interactions was investigated and it was found that the electron‐donating O offers lone pair electrons to the contacting LP* of alkali metal cations
A New and Facile Synthesis of Novel Pyrazolothienopyrimidines and Imidazopyrazolothienopyrimidines
Authors: Zaki Remon M. , Kamal El‐Dean Adel M. , Abdulrazzaq Abdullah Y. 
Published: November 2015

Abstract4‐Amino‐3‐methyl‐1‐phenyl‐1H‐thieno[2,3‐c]pyrazole‐5‐carboxamide (5), which was synthesized by an innovative method, was used as a versatile precursor for synthesizing pyrazolothienopyrimidines and imidazopyrazolothienopyrimidines compounds. Reaction of amino thienopyrazole carboxamide 5 with triethyl orthoformate afforded thienopyrazolopyrimidine 6. Chlorination of the latter compound, using phosphorus oxychloride afforded the chloro pyrazolothienopyrimidine 7, which underwent nucleophilic substitution reactions with various primary and secondary amines to give the alkyl (aryl) amino pyrimidine compounds 8a–d. On the other hand, the reaction of chloropyrimidine 7 with thiourea afforded the pyrimidine thione compound 9, which was alkylated with α‐halogentaed compounds to afford the S‐alkylated derivatives 10a–c. Also, chloroacetylation of the amino carboxamide 5 using chloroacetyl chloride yielded the chloromethyl pyrazolothienopyrimidine 12, which underwent nucleophilic substitu‐ tion reactions with various primary and secondary amines to afford the alkyl (aryl) aminomethyl compounds 13a–f. The latter Compounds underwent Mannich reaction to give imidazopyrimidothieno‐ pyrazoles 14a–c. The newly synthesized compounds and their derivatives were fully characterized by elemental and spectral analysis.
Chiral Separations in Normal‐phase Liquid Chromatography: Updating a Screening Strategy with a Chlorine‐containing Polysaccharide‐based Selector
Authors: Zhou Jie , Chen Shanshan , Luo Pei , Sun Chong , Meng Lingchang , Du Qiuzheng , Sun Fang 
Published: November 2015

AbstractThe screening conditions of an existing column and mobile phase selection strategy for chiral compounds in normal‐phase high performance liquid chromatography (NP‐HPLC) were tested for their applicability on Chiralpak IC, which is a chiral stationary phase (CSP) made by immobilising cellulosic tris (3,5‐dichlorophenyl‐carbamate) on silica gel. In this study, the applicability of the optimization steps of the existing separation strategy was examined using 36 compounds representing the three possible resolution situations that occur after screening. The cumulative number of separated compounds is 27 (75.0 %), and the cumulative number of baseline separated compounds is 19 (52.8 %).
High risk of fall, poor physical function, and low grip strength in men with fracture—the STRAMBO study
Authors: Szulc Pawel , Feyt Clément , Chapurlat Roland 
Published: November 2015

AbstractBackgroundSeveral studies assessed the association of prevalent fractures with muscle mass, strength, and physical capacity in men. Clinical impact of these associations is not clear, and they could be influenced by confounders. Our aim was to assess the association of the prevalent fractures with muscle strength, physical function, and the risk of subsequent falls in older men after adjustment for muscle mass and potential confounders.MethodsIn a cohort of 890 men aged 50 and older, we assessed appendicular skeletal muscle mass (ASM) by DXA, grip strength, physical function (chair stands, static, and dynamic balance). Relative ASM (RASM) was calculated as ASM / (height)2. Then, 813 men aged 60 and over were followed up prospectively for 5 years and 144 sustained >1 incident falls. All the analyses were adjusted for lifestyle factors, co‐morbidities, and hormones known to influence muscle and physical function.ResultsLow leisure physical activity, very high occupational physical activity, Parkinson's disease, diabetes mellitus, low apparent free testosterone concentration (AFTC), as well as Grade 2 and 3 vertebral fractures and multiple fractures were associated with lower grip strength when adjusted for confounders including upper limb RASM. Low leisure physical activity, very high occupational physical activity, diabetes mellitus, prior stroke, low AFTC and 25‐hydroxycholecalciferol, high C‐reactive protein, vertebral fractures, and non‐vertebral fractures were associated with poor physical function (lowest quintile of the score of tests) when adjusted for confounders including lower limb RASM. Grade 2 and 3 and multiple vertebral fractures were associated with twofold higher risk of multiple falls after adjustment for confounders. Men having multiple fractures had a twofold higher risk of multiple falls after adjusting for confounders. In multivariable models, risk of falls increased proportionally to the increasing severity and number of vertebral fractures as well as to the increasing number of all fractures.ConclusionsIn older men, Grade 2 and 3 vertebral fractures and multiple vertebral and non‐vertebral fractures are associated with lower grip strength, poor physical function, and higher risk of multiple falls after adjustment for multiple confounders. This suggests a real direct association. One fracture can initiate a vicious circle leading to another fracture; thus, patients with fractures need physical therapy regardless of their general health status.
Feasibility study of using intravoxel incoherent motion mri to detect parotid gland abnormalities in early‐stage Sjögren syndrome patients
Authors: Su Guo‐Yi , Xu Xiao‐Quan , Wang Yan‐Yan , Hu Hao , Shen Jie , Hong Xun‐Ning , Shi Hai‐Bin , Wu Fei‐Yun 
Published: November 2015

PurposeTo determine whether intravoxel incoherent motion (IVIM) magnetic resonance imaging (MRI) could detect parotid gland abnormalities in Sjögren's syndrome (SS) patients who were not identified by conventional MRI.Materials and MethodsTen consecutive patients with clinically proven SS who were not identified by conventional MRI were assessed by IVIM MRI with a 3.0T MRI scanner. Quantitative parameters (tissue diffusivity, D; pseudodiffusion coefficient, D*; perfusion fraction, f) derived from IVIM MRI were compared between the SS group and healthy control group (n = 15). A receiver operating characteristic (ROC) curve was used to evaluate the diagnostic value of each significant parameter.ResultsExcellent inter‐ and intrareader agreements were obtained during the measurement of D, f, and D* values (interreader, 0.980, 0.942, and 0.883; intrareader, 0.991, 0.952, and 0.896, respectively). All three parameters of the SS group were significantly higher than those of the healthy group (D, 1.049 ± 0.056 × 10−3 mm2/s vs. 0.976 ± 0.116 × 10−3 mm2/s, P = 0.012; D*, 20.410 ± 1.786 × 10−3 mm2/s vs. 18.764 ± 2.433 × 10−3 mm2/s, P = 0.013; f, 0.207 ± 0.003 vs. 0.182 ± 0.002, P = 0.004). ROC analysis showed that the f value had the best diagnostic performance (AUC, 0.712; Sensitivity, 0.80; Specificity, 0.57; Cutoff value, 0.185) in detecting the parotid gland abnormalities in early SS patients.ConclusionIVIM MRI detected parotid gland abnormalities in early‐stage SS patients. J. Magn. Reson. Imaging 2016;43:1455–1461.
Preparation of molecularly imprinted polymeric fibers using a single bifunctional monomer for the solid‐phase microextraction of parabens from environmental solid samples
Authors: Díaz‐Álvarez Myriam , Smith Stephen P. , Spivak David A. , Martín‐Esteban Antonio 
Published: November 2015

In this study, molecularly imprinted polymer fibers for solid‐phase microextraction have been prepared with a single bifunctional monomer, N,O‐bismethacryloyl ethanolamine using the so‐called “one monomer molecularly imprinted polymers” method, replacing the conventional combination of functional monomer and cross‐linker to form high fidelity binding sites. For comparison, imprinted fibers were prepared following the conventional approach based on ethylene glycol dimethacrylate as cross‐linker and methacrylic acid as monomer. The recognition performance of the new fibers was evaluated in the solid‐phase microextraction of parabens, and from this study it was concluded that they provided superior performance over conventionally formulated fibers. Ultimately, real‐world environmental testing on spiked solid samples was successful by the molecularly imprinted solid‐phase microextraction of samples, and the relative recoveries obtained at enrichment levels of 10 ng/g of parabens were within 78–109% for soil and 83–109% for sediments with a relative standard deviation <15% (n = 3).