bluuebunny/crossref_metadata_2025_split huggingface dataset:
Syntheses, Characterizations and Adsorption Properties of MIL‐101/Graphene Oxide Composites
Authors: Liu Xiaoqing , Zhou Hu , Zhang Ying , Liu Yuanjun , Yuan Aihua 
Published: October 2012

AbstractComposites of the Cr3+‐based metal‐organic framework (MIL‐101) and graphene oxide (GO) have been synthesized with different ratios of MIL‐101 and GO. The composites and the parent material MIL‐101 were characterized by X‐ray diffraction, scanning electron microscopy and nitrogen adsorption. The results indicated that the incorporation of large amounts of GO (10 and 20 wt%) almost did not prevent the formation of MIL‐101 units, but had an obvious impact on the size of MIL‐101 crystals. On the contrary, small amounts of GO added (2 and 5 wt%) prevented significantly the proper assembly of MIL‐101 units, thus resulting in a pronounced decrease in the porosities of composites.
Cinchona Alkaloid‐catalyzed Asymmetric Direct Mannich Reaction of Malononitrile to Imine for Synthesis of β‐Amino Malononitrile
Authors: Lu Zhijin , Xie Chen , Zhou Wei , Duan Zhiqiang , Han Jianlin , Pan Yi 
Published: October 2012

AbstractThe first direct asymmetric Mannich reaction of malononitrile to N‐Boc‐protected imines has been developed with cinchona alkaloid as catalyst. The procedure could tolerate a relatively wide range of substrates, and results in excellent yields and good enantioselectivities even in the presence of only 1 mol% of catalyst loading. The present work provides an easy access to β‐amino malononitrile derivatives.
Synthesis of CdTe Quantum Dots with Tunable Photoluminescence Using Tellurium Dioxide as Tellurium Source
Authors: Liu Shengyan , Wang Yilin , Yang Kun , Zhou Liya 
Published: October 2012

AbstractA simple and convenient method has been developed for synthesis of water‐soluble CdTe quantum dots (QDs) under ambient atmospheric conditions. In contrast to the traditional aqueous synthesis, green to red emitting CdTe QDs were prepared by using TeO2 to replace Te or Al2Te3 as tellurium source in this method. The influences of experimental variables, including pH value, 3‐mercaptopropionic acid (MPA)/Cd and Te/Cd molar ratios, on the emission peak and photoluminescence (PL) quantum yield (QY) of the obtained CdTe QDs have been systematically investigated. Experimental results indicate that green to red emitting CdTe QDs with a maximum photoluminescence quantum yield of 35.4% can be prepared at pH 11.3 and n(Cd):n(Te):n(MPA)=1:0.1:1.7.
Gas‐phase Smiles Rearrangement of Sulfonylurea Herbicides in Electrospray Ionization Mass Spectrometry
Authors: Zhang Jia , Chai Yunfeng , Wang Wei , Shang Wei , Pan Yuanjiang 
Published: October 2012

AbstractIn the negative ion mode of electrospray ionization tandem mass spectrometry (ESI‐MS/MS) of four sulfonylurea herbicides, Smiles rearrangements were observed in rimsulfuron and nicosulfuron. In the case of rimsulfuron, two competitive gas‐phase Smiles rearrangements initiated by nitrogen anion and oxygen anion respectively were witnessed. The ion‐neutral complex was proposed as the reactive intermediate in the course of this unimolecular dissociation reaction of the oxygen attack Smiles rearrangement route. The density functional theory (DFT) was carried out to elucidate the mechanism as well as to show the possible transition states and the intermediates.
Studies toward the Synthesis of (R)‐(+)‐Harmicine
Authors: Mo Fanyang , Li Fei , Qiu Di , Zhang Yan , Wang Jianbo 
Published: October 2012

AbstractThe study toward the total synthesis of (R)‐(+)‐harmicine is reported in this paper. The enantioselective synthesis of pyrrolidinone, the main backbone of of (R)‐(+)‐harmicine, has been completed by the methodology based on photo‐induced Wolff rearrangement of α‐diazo‐β‐carbonyl compounds.
Design, Synthesis and Antiproliferative Activities of Diaryl Thiourea Derivatives as Anticancer Agents
Authors: Yao Jianwen , He Zuopeng , Chen Jing , Chen Daquan , Sun Wei , Xu Wenfang 
Published: October 2012

AbstractTwo new series of diaryl thiourea containing sorafenib derivatives 9a–9t were designed and synthesized, and their antiproliferative activities against PC‐3, HCT116 and MDA‐MB‐231 cell lines were evaluated. All compounds generally showed antiproliferative activity to PC‐3 cells, most of the analogs exhibited potent antiproliferative activity to HCT116 cells, and compounds 9e, 9f, 9o and 9p demonstrated inhibitory activities against all three cell lines. The structures of all the newly synthesized compounds were determined by 1H NMR, 13C NMR and HRMS.
Sugar‐fiber Imprinting to Generate Microgrooves on Polymeric Film Surfaces for Contact Guidance of Cells
Authors: Qu Zehua , Ding Jiandong 
Published: October 2012

AbstractAnisotropic surface topography is known to induce the contact guidance of cells, and facile and biocompatible approaches of the physical modification of the pertinent matrix surfaces are thus meaningful for biomaterials. Herein, we put forward a sugar‐fiber imprinting technique to generate microgrooves on hydrophobic polymers demonstrated by the poly(lactic‐co‐glycolic acid) (PLGA) films. Microgrooves were conveniently generated after removing sugar fibers simply by water. The resulting locally anisotropic microgrooves were confirmed to elongate the cells cultured on the surface.
Electromagnet design allowing explicit and simultaneous control of minimum wire spacing and field uniformity
Authors: Harris Chad T. , Handler William B. , Chronik Blaine A. 
Published: October 2012

AbstractAn adaptive algorithm is presented that works to independently and explicitly control both local power deposition and magnetic field uniformity in a robust, automated manner. The only inputs to the algorithm are the minimum allowable wire spacing, the maximum allowable field error, and the geometry over which to produce the coil. To highlight the function of the algorithm, two examples are investigated: a transverse gradient coil insert, designed for imaging the head and neck; and a highly uniform, low‐power, B0 field coil. Both examples require highly optimized relative weighting between power dissipation and field uniformity. The algorithm is described and implemented in terms of the boundary element method for coil design. The algorithm is shown to produce acceptable designs; conforming to engineering constraints, for both instances within a matter of minutes. © 2012 Wiley Periodicals, Inc. Concepts Magn Reson Part B (Magn Reson Engineering) 41B: 120–129, 2012
A resonated coil driver for rapid scan EPR
Authors: Quine Richard W. , Mitchell Deborah G. , Tseitlin Mark , Eaton Sandra S. , Eaton Gareth R. 
Published: October 2012

AbstractA resonated coil driver designed for rapid scan electron paramagnetic resonance (EPR) is described. Rapid scan EPR requires larger magnetic field coils and a more powerful magnetic field modulation than those designed for conventional continuous wave EPR. There are two advantages of a resonated coil driver: i) by resonating the scan coils the reactive components are removed, which allows the coils to be driven with much lower voltages, and ii) by resonating the coils a near‐perfect sinusoidal scan is ensured. Performance of the coil driver is improved when Litz wire coils are used. With coil diameters between 3 and 3.5 inches, sweeps can be generated with widths up to about 80 G peak‐to‐peak and frequencies up to about 150 kHz, which permits sweep rates of more than 8 MG/s. The magnetic field is uniform over the sample length of a Bruker dielectric resonator. Enough detail has been presented for other laboratories toimplement this design to perform rapid scan EPR. © 2012 Wiley Periodicals, Inc. Concepts Magn Reson Part B (Magn Reson Engineering) 41B: 95–110, 2012
The impact of dose‐escalated radiotherapy plus androgen deprivation for prostate cancer using 2 linked nomograms
Authors: Stoyanova Radka , Pahlajani Niraj H. , Egleston Brian L. , Buyyounouski Mark K. , Chen David Y. T. , Horwitz Eric M. , Pollack Alan 
Published: October 2012

AbstractBACKGROUND:Randomized trials have demonstrated that escalated‐dose external‐beam radiotherapy (EDRT) is better than standard‐dose radiotherapy (SDRT) for patients with prostate cancer and that adding androgen‐deprivation therapy (ADT) to SDRT is better than SDRT alone; however, no trials have compared EDRT versus SDRT plus ADT or EDRT versus EDRT plus ADT. The authors designed a model to estimate the results of various doses of radiotherapy (RT) combined with various durations of ADT.METHODS:From 1989 to 2007, 3215 men consecutively received definitive EDRT with or without ADT. In total, 2012 patients had complete records available for creating the nomogram. The duration of ADT varied for patients who received no RT (n = 1562), ≤6 months of RT (n = 145), from >6 months to <24 months of RT (n = 140), and ≥24 months of RT (n = 165) with a median follow‐up of 65.7 months, 66.2 months, 60.1 months, and 63 months, respectively. The model included the following covariates: palpation T‐category, biopsy Gleason score, the percentage of tumor cells with a Gleason pattern of 4 or 5, the percentage of tumor tissue, initial pretreatment prostate‐specific antigen (PSA) level, ADT duration, and RT dose. Two nomograms, for outcomes with and without ADT, were created from a single competing‐risks model. Biochemical failure was defined as a rise in serum PSA of 2 ng/mL over the post‐treatment PSA nadir.RESULTS:According to the results from analyzing representative intermediate‐risk to high‐risk patient parameters, the gains from increasing the RT dose from 70 Gray (Gy) to 80 Gy were far less than the gains from adding ≥3 months of ADT.CONCLUSIONS:The nomograms provided unique patient‐specific estimates of the effects of various doses and durations of RT and ADT. The results indicated that adding ADT to treatment for intermediate‐risk and high‐risk prostate cancer is far more beneficial than a modest RT dose escalation. Cancer 2013. © 2012 American Cancer Society.
Convergence of a Force‐Based Hybrid Method in Three Dimensions
Authors: Lu Jianfeng , Ming Pingbing 
Published: October 2012

AbstractWe study a force‐based hybrid method that couples an atomistic model with the Cauchy‐Born elasticity model. We show that the proposed scheme converges to the solution of the atomistic model with second‐order accuracy, since the ratio between lattice parameter and the characteristic length scale of the deformation tends to 0. Convergence is established for the three‐dimensional system without defects, with general finite‐range atomistic potential and simple lattice structure. The proof is based on consistency and stability analysis. General tools for stability analysis are developed in the framework opseudodifference operators in arbitrary dimensions. © 2012 Wiley Periodicals, Inc.
Performance modeling of microsecond scale biological molecular dynamics simulations on heterogeneous architectures
Authors: Agarwal Pratul K. , Hampton Scott , Poznanovic Jeffrey , Ramanthan Arvind , Alam Sadaf R. , Crozier Paul S. 
Published: October 2012

SUMMARYPerformance improvements in biomolecular simulations based on molecular dynamics (MD) codes are widely desired. Unfortunately, the factors, which allowed past performance improvements, particularly the microprocessor clock frequencies, are no longer increasing. Hence, novel software and hardware solutions are being explored for accelerating performance of widely used MD codes. In this paper, we describe our efforts on porting, optimizing and tuning of Large‐scale Atomic/Molecular Massively Parallel Simulator, a popular MD framework, on heterogeneous architectures: multi‐core processors with graphical processing unit (GPU) accelerators. Our implementation is based on accelerating the most computationally expensive non‐bonded interaction terms on the GPUs and overlapping the computation on the CPU and GPUs. This functionality is built on top of message passing interface that allows multi‐level parallelism to be extracted even at the workstation level with the multi‐core CPUs and allows extension of the implementation on GPU‐enabled clusters. We hypothesize that the optimal benefit of heterogeneous architectures for applications will come by utilizing all possible resources (for example, CPU‐cores and GPU devices on GPU‐enabled clusters). Benchmarks for a range of biomolecular system sizes are provided, and an analysis is performed on four generations of NVIDIA's GPU devices. On GPU‐enabled Linux clusters, by overlapping and pipelining computation and communication, we observe up to 10‐folds application acceleration in multi‐core and multi‐GPU environments illustrating significant performance improvements. Detailed analysis of the implementation is presented that allows identification of bottlenecks in algorithm, indicating that code optimization and improvements on GPUs could allow microsecond scale simulation throughput on workstations and inexpensive GPU clusters, putting widely desired biologically relevant simulation time‐scales within reach of a large user community. In order to systematically optimize simulation throughput and to enable performance prediction, we have developed a parameterized performance model that will allow developers and users to explore the performance potential of future heterogeneous systems for biological simulations. Copyright © 2012 John Wiley & Sons, Ltd.
Generation and characterization of a tamoxifen inducible Msx1CreERT2 knock‐in allele
Authors: Lallemand Yvan , Moreau Julie , Cloment Cécile Saint , Vives Francina Langa , Robert Benoît 
Published: October 2012

AbstractMsx1, a member of the Msx gene family, encodes a homeodomain transcription factor and plays critical roles during mouse development in numerous organs. By homologous recombination, we generated a new Msx1 allele (Msx1CreERT2) in which the CreERT2 fusion protein is produced in place of the endogenous Msx1 protein. Using different reporter mouse strains and appropriate tamoxifen treatments, we show that, in mice bearing the Msx1CrERT2 allele, CreERT2 is capable to induce loxP genomic recombination specifically in Msx1‐expressing cells and that this can be obtained during embryonic development as well as after birth. These results show that this new mouse line can be used for lineage tracing of Msx1‐expressing cells and their descendants and, combined with Cre‐inducible Msx null alleles, for the analysis of Msx1 and/or Msx2 functions in the Msx1‐expressing organs, in a time‐dependant manner. genesis 51:110–119, 2013. © 2012 Wiley Periodicals, Inc.
Copper‐Catalyzed Cascade Synthesis of 1H‐Indolo[1,2‐c]quinazoline Derivatives
Authors: Zhang Hao , Jin Yibao , Liu Hongxia , Jiang Yuyang , Fu Hua 
Published: October 2012

AbstractA simple, efficient and practical approach to 1H‐indolo[1,2‐c]quinazoline derivatives has been developed that uses inexpensive and readily‐available catalyst and substrates. The method should provide a new strategy for N‐fused heterocycles and will show wide application in organic chemistry and medicinal chemistry.
Formation of Intermediate Layers for Immobilization of Biomacromolecules by Self‐Assembling and Reduction of Phenyldiazonium Salts. A Comparative Study
Authors: Kowalczyk Agata , Fau Michal , Nowicka Anna M. , Stojek Zbigniew 
Published: October 2012

AbstractTwo types of biomolecules were tested in the comparison of usefulness of two ways of formation of the intermediate layers at electrodes: a 20‐nucleotide DNA sequence and glucose oxidase. Chronocoulometric, amperometric, electrochemical impedance and PM‐IRRAS experiments proved that the layers obtained by electroreduction of diazonium salts are much more stable and more efficient in the accumulation of biomolecules compared to layers obtained by self‐assembling of appropriate thiols.
Surface‐Imprinting Sensor Based on Carbon Nanotubes/Graphene Composite for Determination of Bovine Serum Albumin
Authors: Chen Hong‐Jun , Zhang Zhao‐Hui , Xie Duo , Cai Rong , Chen Xing , Liu Yu‐Nan , Yao Shou‐Zhuo 
Published: October 2012

AbstractA novel molecularly imprinted sensor was firstly prepared based on a carbon nanotubes/graphene composite modified carbon electrode (MIPs/CNT/GP/CE) for the selective determination of bovine serum albumin. The molecularly imprinted sensor was tested by differential pulse voltammetry (DPV) to investigate the relationship between the response current and bovine serum albumin concentration. The results showed that a wide linear range (1.0×10−4 to 1.0×10−10 g mL−1) for the detection of bovine serum albumin with a low detection limit of 6.2×10−11 g mL−1 for S/N=3 was obtained. The novel imprinted sensor exhibited high selectivity, sensitivity, and reproducibility, which provided an applicable way for sensor development.
Height, age at menarche and risk of hormone receptor‐positive and ‐negative breast cancer: A cohort study
Authors: Ritte Rebecca , Lukanova Annekatrin , Tjønneland Anne , Olsen Anja , Overvad Kim , Mesrine Sylvie , Fagherazzi Guy , Dossus Laure , Teucher Birgit , Steindorf Karen , Boeing Heiner , Aleksandrova Krasimira , Trichopoulou Antonia , Lagiou Pagona , Trichopoulos Dimitrios , Palli Domenico , Grioni Sara , Mattiello Amalia , Tumino Rosario , Sacerdote Carlotta , Quirós José Ramón , Buckland Genevieve , Molina‐Montes Esther , Chirlaque María‐Dolores , Ardanaz Eva , Amiano Pilar , Bueno‐de‐Mesquita Bas , van Duijnhoven Franzel , van Gils Carla H , Peeters Petra HM , Wareham Nick , Khaw Kay‐Tee , Key Timothy J , Travis Ruth C. , Krum‐Hansen Sanda , Gram Inger Torhild , Lund Eiliv , Sund Malin , Andersson Anne , Romieu Isabelle , Rinaldi Sabina , McCormack Valerie , Riboli Elio , Kaaks Rudolf 
Published: October 2012

AbstractAssociations of breast cancer overall with indicators of exposures during puberty are reasonably well characterized; however, uncertainty remains regarding the associations of height, leg length, sitting height and menarcheal age with hormone receptor‐defined malignancies. Within the European Prospective Investigation into Cancer and Nutrition cohort, Cox proportional hazards models were used to describe the relationships of adult height, leg length and sitting height and age at menarche with risk of estrogen and progesterone receptor negative (ER‐PR‐) (n = 990) and ER+PR+ (n = 3,524) breast tumors. Height as a single risk factor was compared to a model combining leg length and sitting height. The possible interactions of height, leg length and sitting height with menarche were also analyzed. Risk of both ER‐PR‐ and ER+PR+ malignancies was positively associated with standing height, leg length and sitting height and inversely associated with increasing age at menarche. For ER+PR+ disease, sitting height (hazard ratios: 1.14[95% confidence interval: 1.08–1.20]) had a stronger risk association than leg length (1.05[1.00–1.11]). In comparison, for ER‐PR‐ disease, no distinct differences were observed between leg length and sitting height. Women who were tall and had an early menarche (≤13 years) showed an almost twofold increase in risk of ER+PR+ tumors but no such increase in risk was observed for ER‐PR‐ disease. Indicators of exposures during rapid growth periods were associated with risks of both HR‐defined breast cancers. Exposures during childhood promoting faster development may establish risk associations for both HR‐positive and −negative malignancies. The stronger associations of the components of height with ER+PR+ tumors among older women suggest possible hormonal links that could be specific for postmenopausal women.
Development of D‐lysine‐assisted 1‐ethyl‐3‐(3‐dimethylaminopropyl)‐carbodiimide/N‐hydroxysuccinimide‐initiated cross linking of collagen matrix for design of scaffold
Authors: Krishnamoorthy Ganesan , Sehgal Praveen Kumar , Mandal Asit Baran , Sadulla Sayeed 
Published: October 2012

AbstractThis work discusses the preparation and characterization of collagen scaffold with presence of D‐Lysine (Coll‐D‐Lys)‐assisted 1‐ethyl‐3‐(3‐dimethylaminopropyl)‐carbodiimide (EDC)/N‐hydroxysuccinimide (NHS)‐initiated cross linking. The mechanical strength, thermal and structural stability, resistance to biodegradation and cell viability of this scaffold was investigated. The results of the Coll‐D‐Lys‐EDC/NHS scaffold also indicate an increase in the tensile strength (TS), percentage of elongation (% E), denaturation temperature (Td), and decrease the decomposition rate. Scanning electron microscopic (SEM) and atomic force microscopic (AFM) analyses revealed a well ordered with properly oriented and well‐aligned structure of scaffold. The D‐Lys stabilizes the scaffold against degradation by collagenase than L‐Lys. The cell assay showed more than 98 ± 2% fibroblast viability (NIH 3T3) after 72 h of culture Coll‐D‐Lys‐scaffold when compared with native Coll and Coll‐L‐Lys‐scaffold. The proteolytic machinery is not well equipped to deal with Coll‐D‐Lys‐scaffold than Coll‐L‐Lys‐scaffold. Incorporating D‐Lys in scaffold design has the potential to improve existing collagen stability and create new topologies inaccessible to homochiral molecules. This method may assist in the functionalization of the scaffold for regenerative applications. © 2012 Wiley Periodicals, Inc. J Biomed Mater Res Part A, 2013.
Differential in vitro and cellular effects of iron chelators for hypoxia inducible factor hydroxylases
Authors: Cho Eun A. , Song Hyun Kyung , Lee Sang‐Hyeup , Chung Bong Hyun , Lim Heon Man , Lee Myung Kyu 
Published: October 2012

AbstractHypoxia inducible factor 1α (HIF‐1α), an essential transcriptional factor, is negatively regulated by two different types of oxygen and Fe2+‐dependent HIF hydroxylases, proline hydroxylase (PHD) and factor inhibiting HIF (FIH), under normoxia. Iron chelators have therefore been used for inducing HIF‐1α expression by inhibiting the hydroxylases. In this study, the iron chelators displayed differential effects for PHD and FIH in cells depending on their iron specificity and membrane permeability rather than their in vitro potencies. The membrane permeability of the strict Fe2+‐chelator potentially inhibited both hydroxylases, whereas the membrane impermeable one showed no inhibitory effect in cells. In contrast, the depletion of the extracellular Fe3+ ion was mainly correlated to PHD inhibition, and the membrane permeable one elicited low efficacy for both enzymes in cells. The 3′‐hydroxyl group of quercetin, a natural flavonoid, was critical for inhibition of intracellular hydroxylases. Since the 3′‐methylation of quercetin is induced by catechol‐O‐methyl transferase, the enzyme may regulate the intracellular activity of quercetin. These data suggest that the multiple factors of iron‐chelators may be responsible for regulating the intracellular activity HIF hydroxylases. J. Cell. Biochem. 114: 864–873, 2013. © 2012 Wiley Periodicals, Inc.
Rapid gradient‐echo imaging
Authors: Hargreaves Brian 
Published: October 2012

AbstractGradient‐echo sequences are widely used in magnetic resonance imaging (MRI) for numerous applications ranging from angiography to perfusion to functional MRI. Compared with spin‐echo techniques, the very short repetition times of gradient‐echo methods enable very rapid 2D and 3D imaging, but also lead to complicated “steady states.” Signal and contrast behavior can be described graphically and mathematically, and depends strongly on the type of spoiling: fully balanced (no spoiling), gradient spoiling, or radiofrequency (RF)‐spoiling. These spoiling options trade off between high signal and pure T1 contrast, while the flip angle also affects image contrast in all cases, both of which can be demonstrated theoretically and in image examples. As with spin‐echo sequences, magnetization preparation can be added to gradient‐echo sequences to alter image contrast. Gradient‐echo sequences are widely used for numerous applications such as 3D perfusion imaging, functional MRI, cardiac imaging, and MR angiography. J. Magn. Reson. Imaging 2012; 36:1300–1313. © 2012 Wiley Periodicals, Inc.