bluuebunny/crossref_metadata_2025_split huggingface dataset:
Synthesis of Three Novel Laurylamine‐Derived Long‐Chain Alkyl Bonding Agents and Their Interactions with RDX
Authors: Liu Yun‐fei , Chen Yu , Shi Liang , Yao Wei‐shang 
Published: January 2012

AbstractThree novel long‐chain alkyl bonding agents including 1,1′‐dodecylimino‐bis[3‐[bis(2‐hydroxyethyl)amino]‐2‐propanol (DHAP), 1‐acetyl‐5‐dodecyl‐octahydro‐1,5‐diazocine‐3,7‐diol (ADODD) and 1,3‐bis(dodecylimino)‐5,5‐dimethyl‐2,4‐imidazolidinedione (DDID) were synthesized by modification of laurylamine. Interaction energies between bonding agents and RDX were calculated and compared using the molecular dynamics method. Effects of coating by different bonding agents on characteristic absorption peaks of RDX were analyzed by micro‐infrared spectroscopy. The adhesion degrees of different bonding agents on the surface of RDX solid particles were calculated by XPS methods. The three prepared bonding agents were added to the HTPB/RDX/Al propellant and their effects on σ, εm, εb and Φ (the adhesion index between filling particles and binder matrix) value of propellant were studied. Simulation and experimental results showed that those three types of long‐chain alkyl bonding agents exhibit a strong interaction with RDX, with highest interaction potencial observed for DHAP, followed by DDID and ADODD. In addition, the current study demonstrated that results obtained by molecular dynamics simulation were in very good agreement with the experimental data.
Variational data‐assimilation experiments using flow‐dependent dynamical constraints
Authors: Reszka M. K. , Polavarapu S. M. 
Published: January 2012

AbstractMass–wind and vorticity–divergence balance constraints based on the linearized Charney and quasi‐geostrophic omega equations, respectively, are assessed in a developmental version of the global, three‐dimensional variational data‐assimilation system at Environment Canada. Unlike traditional balance constraints, which are averaged in time, the new constraints are flow‐dependent and reflect a more complete set of dynamics. Single observation experiments demonstrate that the new covariance model leads to asymmetrical increments that are qualitatively aligned with the instantaneous background wind field. Data‐assimilation experiments using real observations are performed for a period of five weeks during two different seasons, employing the control and experimental constraints. Subsequent forecast verification against radiosondes shows a definite benefit of the new covariances in the Tropics; however, the impact in the Extratropics is neutral or slightly negative. Verifications against analysis show virtually no change in the troposphere; however, a significant improvement is observed in the stratosphere at all lead times. Compared with the Charney mass–wind balance, the contribution of the quasi‐geostrophic omega constraint is rather minimal, at least in its current adiabatic form. The new balance scheme requires a considerable amount of computational time in the context of our 3D‐Var system, although the relative cost in a 4D‐Var setting may be far less significant. Moreover, the present experiments are useful in elucidating several important aspects of covariance modelling, particularly the dependence of balance dynamics on spatial scale. © 2012 Crown in the right of Canada. Published by John Wiley & Sons Ltd.
Characterization of hybrid sol–gel films doped with red mud particles
Authors: Collazo A. , Covelo A. , Pérez C. 
Published: January 2012

ABSTRACTThe present work deals with the characterization of a hybrid sol–gel coating doped with red mud (RM) particles. RM is the insoluble residue remaining after caustic digestion of bauxite by the Bayer process. Because of its high alkaline nature, together with the presence of Fe(III), we assume that this is a good corrosion inhibitor candidate. The hybrid sol–gel was made from tetra‐n‐propoxyzirconium as an inorganic precursor and 3‐glycidoxypropyltrimethoxysilane as an organic precursor. Sol–gel films were doped with 5% wt. of RM and deposited on an AA2024‐T3 alloy. Several techniques were used to study the system: Fourier‐transformed infrared spectroscopy, X‐ray photoelectron spectroscopy, time‐of‐flight secondary ion mass spectrometry, and zeta potential measurements. The results indicate that a good dispersion of the particles into the sol–gel film was obtained. Moreover, the zeta potential measurements revealed the ability of RM particles to capture chloride ions. Copyright © 2012 John Wiley & Sons, Ltd.
Self‐Assembly of a Dendron‐Attached Tetrathiafulvalene: Gel Formation and Modulation in the Presence of Chloranil and Metal Ions
Authors: Yang Xingyuan , Zhang Guanxin , Li Liqiang , Zhang Deqing , Chi Lifeng , Zhu Daoben 
Published: January 2012

AbstractThe self‐assembly of a tetrathiafulvalene (TTF)‐based molecular gelator with a dendron substituent into a gel is described. Scanning electron microscope and atomic force microscope studies show that the xerogels exhibit rope‐like frameworks or interwoven nanofibers, depending on the polarity of solvent from which the gel is formed. Gels containing chloranil can also be successfully prepared. Interestingly, this two‐component gel can be easily transformed into solution after the addition of either Sc3+ or Pb2+. Both absorption and electron spin resonance (ESR) spectroscopic investigations reveal that the TTF unit is oxidized into TTF.+ by chloranil in the presence of either Sc3+ or Pb2+. Moreover, the gel phase can be restored by reduction of TTF.+ into the neutral form using magnesium.
Optimum structural modelling for tall buildings
Authors: Jameel Mohammed , Saiful Islam A.B.M. , Hussain Raja Rizwan , Khaleel M. , Zaheer M. M. 
Published: January 2012

SUMMARYIt is a common practice to model multi‐storey tall buildings as frame structures where the loads for structural design are supported by beams and columns. Intrinsically, the structural strength provided by the walls and slabs are neglected. As the building height increases, the effect of lateral loads on multi‐storey structures increases considerably. The consideration of walls and slabs in addition to the frame structure modelling shall theoretically lead to improved lateral stiffness. Thus, a more economic structural design of multi‐storey buildings can be achieved. In this research, modelling and structural analysis of a 61‐storey building have been performed to investigate the effect of considering the walls, slabs and wall openings in addition to frame structure modelling. Sophisticated finite element approach has been adopted to configure the models, and various analyses have been performed. Parameters, such as maximum roof displacement and natural frequencies, are chosen to evaluate the structural performance. It has been observed that the consideration of slabs alone with the frame modelling may have negligible improvement on structural performance. However, when the slabs are combined with walls in addition to frame modelling, significant improvement in structural performance can be achieved. Copyright © 2012 John Wiley & Sons, Ltd.
Investigating the effectiveness of computer simulations for chemistry learning
Authors: Plass Jan L. , Milne Catherine , Homer Bruce D. , Schwartz Ruth N. , Hayward Elizabeth O. , Jordan Trace , Verkuilen Jay , Ng Florrie , Wang Yan , Barrientos Juan 
Published: January 2012

AbstractAre well‐designed computer simulations an effective tool to support student understanding of complex concepts in chemistry when integrated into high school science classrooms? We investigated scaling up the use of a sequence of simulations of kinetic molecular theory and associated topics of diffusion, gas laws, and phase change, which we designed and experimentally tested. In the two effectiveness studies reported, one in a rural and the other in an urban context, chemistry teachers implemented two alternate versions of a curricular unit—an experimental version, incorporating simulations, and a control version, using text‐based materials covering the same content. Participants were 718 high school students (357 rural and 361 urban), in a total of 25 classrooms. The implementation of the simulations was explored using criteria associated with fidelity of implementation (FOI). Each context provided insights into the role of FOI in affecting the effectiveness of the interventions when working with groups of teachers. Results supported the effectiveness of this sequence of simulations as a teaching tool in a classroom context, and confirmed the importance of FOI factors such as adherence and exposure in determining the specific environments in which these materials were most effective. © 2012 Wiley Periodicals, Inc. J Res Sci Teach 49: 394–419, 2012
Early Data from the First Population‐Wide Breast Cancer‐Specific Registry in Hong Kong
Authors: Cheung Polly , Hung W. K. , Cheung Catherine , Chan Amy , Wong T. T. , Li Lawrence , Chan Sharon W. W. , Chan K. W. , Choi Peter , Kwan W. H. , Yau C. C. , Chan Emily Y. Y. , Law Stephen C. K. , Kwan Daisy 
Published: January 2012

AbstractBackgroundCurrent measures for breast cancer prevention and options for treatment adopted in Hong Kong are mainly based on research data and clinical evidence from overseas. It is essential to establish a cancer‐specific registry to monitor the status of breast cancer in Hong Kong.ObjectivesWe summarized the current status of breast cancer in Hong Kong based on the data collected from Hong Kong Breast Cancer Registry (HKBCR).MethodsPrevalent and newly diagnosed breast cancers (including in situ and invasive breast cancers) were registered in the HKBCR. Information on patient demographics, risk factors, medical information, and survival were analyzed and reported in this study.ResultsData of 2,330 breast cancer patients were analyzed. We observed an earlier median age at diagnosis in Hong Kong than those reported in other countries. Distribution of cancer stage was: stage 0 (11.4%), stage I (31.4%), stage II (41%), stage III (12.5%), stage IV (0.8%), and unclassified (2.9%). The percentages of patients who received surgery, chemotherapy, radiation therapy, and endocrine therapy were 98.7, 67.9, 64.8, and 64.1%, respectively. At a median follow‐up of 1.2 years, locoregional recurrence was recorded at 2%, distant recurrence at 2.8%, and breast‐cancer–related mortality at 0.3%.ConclusionsThe HKBCR serves as a surveillance program to monitor disease and treatment patterns. It is pivotal to support research for more effective breast cancer prevention and treatment strategies in Hong Kong.
Prevalence of Germline Mutations in Patients with Pheochromocytoma or Abdominal Paraganglioma and Sporadic Presentation: A Population‐Based Study in Western Sweden
Authors: Muth Andreas , Abel Frida , Jansson Svante , Nilsson Ola , Ahlman Håkan , Wängberg Bo 
Published: January 2012

AbstractBackgroundGermline mutations in the susceptibility genes RET, SDHB, SDHD, and VHL have been reported in 7.5–24% of patients with pheochromocytoma (Pheo) or paraganglioma (PGL) and sporadic presentation. The purpose of the present study was to establish population‐based data on the frequency of germline mutations in patients with apparently sporadic Pheo or abdominal PGL in Western Sweden.MethodsFrom the Swedish National Cancer Registry, all patients with Pheo or PGL in Western Sweden (population 1.72 million) registered between 1958 and 2009 were identified (n = 256). Patients were characterized using register data, hospital records, and clinical interviews. All living patients with Pheo or abdominal PGL and sporadic presentation (n = 81) were invited to genetic screening; 71 patients accepted. Germline mutations were investigated by using direct sequencing for point mutations in RET, SDHB, SDHD, and VHL, and multiplex ligation‐dependent probe amplification for gross deletions in SDHB, SDHC, SDHD, and VHL. Plasma or urinary metanephrines and/or urinary catecholamines were used for biochemical follow‐up.ResultsThe prevalence of germline mutations was 5.6%. Mutations were only seen in RET (n = 1) and SDHB (n = 3). Notably, in the patients with SDHB mutations, no malignant phenotype was observed during a mean follow‐up of 23.3 years.ConclusionsThe frequency of germline mutations in patients with apparently sporadic Pheo and abdominal PGL in Western Sweden was lower than in previous studies. Variations in reported frequencies of germline mutations in patients with clinically sporadic Pheo/PGL may reflect geographical differences or patient selection.
Retromuscular Mesh Repair of Midline Incisional Hernia with Polyester Standard Mesh: Monocentric Experience of 261 Consecutive Patients with a 5‐year Follow‐up
Authors: Poghosyan Tigran , Veyrie Nicolas , Corigliano Nicola , Helmy Nada , Servajean Stephane , Bouillot Jean‐Luc 
Published: January 2012

AbstractBackgroundMidline incisional hernia (MIH) repair remains a major challenge for surgeons. Multiple procedures and types of mesh to treat incisional hernia are available. We evaluated outcomes of MIH treated by retromuscular mesh repair (RMR) using a polyester standard prosthesis.PatientsA total of 262 patients were treated for MIH by RMR between June 2000 and November 2007 in an academic tertiary referral center using the same standardized surgical technique and one type of mesh. The early complications and recurrence rate were evaluated.ResultsThe average patient age was 57 years; 51% were women. The mean width was 7.8 cm and defect size was 61 cm². Previous MIH repair had been performed in 23% of the patients. Average hospital stay was 7 days. Of the 262 patients studied, 34 patients (13%) developed early complications, and 16 required reoperation for various indications. Early mesh infection occurred in 2 patients (0.8%) requiring mesh removal. The mean follow‐up was 58 months. Recurrence was observed in 8 patients (3%) with an average delay of 19 months. There was a significant difference in terms of recurrence in patients with mesh infection versus the group who did not develop infection (2/2 patients versus 6/259; P < 0.001).ConclusionsOur results suggest that RMR with a polyester standard prosthesis for MIH remains a safe “classic” treatment with a moderate complication rate and a low infection and recurrence rate, even in large incisional hernia.
Co-transformation of Panax major ginsenosides Rb1 and Rg1 to minor ginsenosides C–K and F1 by Cladosporium cladosporioides
Authors: Wu Lunpeng , Jin Yan , Yin Chengri , Bai Longlv 
Published: January 2012

Abstract
Rb1 and Rg1 are the major ginsenosides in protopanaxadiol and protopanaxatriol. Their content in ginsenosides was 23.8 and 17.6%, respectively. A total of 22 isolates of β-glucosidase producing microorganisms were isolated from the soil of a ginseng field using Esculin-R2A agar. Among these isolates, the strain GH21 showed the strongest activities to convert ginsenoside Rb1 and Rg1 to minor ginsenosides compound-K and F1, respectively. Ginsenosides Rb1 and Rg1 bioconversion rates were 74.2 and 89.3%, respectively. Meanwhile, the results demonstrated that the ginsenoside Rg1 could change the biotransformation pathway of ginsenoside Rb1 by inhibiting the formation of the intermediate metabolite gypenoside-XVII. GH21 was identified as a Cladosporium cladosporioides species based on the internal transcribed spacers (ITS) ITS1-5.8S-ITS2 rRNA gene sequences constructed phylogenetic trees.
Screening and treatment for Alzheimer's disease: Predicting population‐level outcomes
Authors: Furiak Nicolas M. , Kahle‐Wrobleski Kristin , Callahan Christopher , Klein Timothy M. , Klein Robert W. , Siemers Eric R. 
Published: January 2012

AbstractBackgroundAdvances in screening and treatment are needed to mitigate increasing prevalence of dementia due to Alzheimer's disease (DAT). Current proposals to revise Alzheimer's disease (AD) diagnostic criteria incorporate diagnostic biomarkers. Such revisions would allow identification of persons with AD pathology before the onset of dementia. The population‐level impact of screening for preclinical AD and treating with a disease‐modifying agent is important when evaluating new biomarkers and medications.MethodsA published computer simulation model assigned AD‐related event times, such that delays in disease progression due to therapy effectiveness can be estimated for a preclinical AD cohort. Attributes such as screening sensitivity/specificity, treatment efficacy, age at first screening, and rescreening intervals were varied. Outcomes included incident mild cognitive impairment (MCI‐AD), incident DAT, and number of patients recommended for treatment.ResultsOne‐time screening at age 65 years, 50% efficacy, and literature‐based proxy persistence rates yielded 12.4% incidence of MCI‐AD and 0.9% decrease in DAT incidence from base case of no screening/treatment. Modest reductions in incident MCI‐AD and DAT were observed with more sensitive testing. Reducing specificity yielded greater reductions in MCI‐AD and DAT cases, albeit by treating more patients. Probabilistic sensitivity analysis predicted that for a cohort of patients aged 65 years, the number that needed to be treated to avoid one AD case was 11.6 (range: 5.7–104).ConclusionThe reduction in MCI‐AD and DAT depends on initial screening age, screening frequency, and specificity. When considering population‐level impact of screening–treatment, the effect of these parameters on incidence would need to be weighed against the number of individuals screened and treated.
BANKING IN THE BUSH: WAITING FOR CREDIT IN SOUTH AFRICA'S RURAL ECONOMY
Authors: Hull Elizabeth 
Published: January 2012

ABSTRACTDrawing on fieldwork in a rural area of KwaZulu-Natal, this article shows how people experience government and other institutions in a patchwork of encounters spread out over time, disjointedly, and via various intermediaries. Aspirations change over time and in response to these encounters. Specifically, the article focuses on the setting up of a government-regulated microfinance institution. I consider the divergence between state-led models of ‘entrepreneurship’ and the practice of individuals' engagement with the organization and their own expectations about it. One government stipulation was that the bank demonstrated its effective operation through regular inflows and outflows of cash, prior to paying out any loans. As such, members were encouraged to invest money in order to qualify for a loan at a later stage. I describe the factors that enhanced or inhibited the willingness of members to invest in the bank, arguing that these strategies were influenced not only by existing levels of economic vulnerability experienced by individuals, but also by particular expectations of the bank, including its perceived reliability, stability and degree of formalityvis-à-visexisting conceptions about banking. The example demonstrates that processes of formalization are often partial and incomplete. Rather than examining them in the narrow terms of success or failure, the article focuses on the intersection of moral and economic actions that emerge in the prolonged states of limbo that they create.
MONEY AND SOCIALITY IN SOUTH AFRICA'S INFORMAL ECONOMY
Authors: Neves David , du Toit Andries 
Published: January 2012

ABSTRACTThis article examines the interplay of agency, culture and context in order to consider the social embeddedness of money and trade at the margins of South Africa's economy. Focusing on small-scale, survivalist informal enterprise operators, it draws on socio-cultural analysis to explore the social dynamics involved in generating and managing wealth. After describing the informal sector in South Africa, the article elucidates the relationship between money and economic informality. First, diverse objectives, typically irreducible to the maximization of profit, animate those in the informal sector and challenge meta-narratives of a ‘great transformation’ towards socially disembedded and depersonalized economic relationships. Second, regimes of economic governance, both state-led and informal, shape the terrain on which informal economic activity occurs in complex and constitutive ways. Third, local idioms and practices of trading, managing money and negotiating social claims similarly configure economic activities. Fourth, and finally, encroaching and often inexorable processes of formalization differentially influence those in the informal sector. The analysis draws on these findings to recapitulate both the ubiquity and centrality of the sociality at the heart of economy, and to examine the particular forms they take in South Africa's informal economy.
Independent modulation of defect modes in fractal potential patterned graphene superlattices with multiple defect layers
Authors: Yu-ping Zhang , Ying Gao , Hui-yun Zhang 
Published: January 2012

Abstract
Independent modulation of defect modes in one-dimensional fractal potential patterned graphene superlattices with multiple defect layers is performed theoretically. It is found that the fractal structure with defect layers possesses an unusual tunnelling state existing inside the forbidden gap, and the defect modes are compatible with the corresponding defect layer. As a result, the same kind of tunnelling modes corresponding to a certain defect layer could be tuned independently by changing the width of the defect layer. Moreover, altering the period number of self-similar defects could result in a change in the energy interval of the corresponding defect modes. This interesting phenomenon may be beneficial to further experimental studies on graphene-based electronic devices.
FX: an RNA-Seq analysis tool on the cloud
Authors: Hong Dongwan , Rhie Arang , Park Sung-Soo , Lee Jongkeun , Ju Young Seok , Kim Sujung , Yu Saet-Byeol , Bleazard Thomas , Park Hyun-Seok , Rhee Hwanseok , Chong Hyonyong , Yang Kap-Seok , Lee Yeon-Su , Kim In-Hoo , Lee Jin Soo , Kim Jong-Il , Seo Jeong-Sun 
Published: January 2012

Abstract
Summary: FX is an RNA-Seq analysis tool, which runs in parallel on cloud computing infrastructure, for the estimation of gene expression levels and genomic variant calling. In the mapping of short RNA-Seq reads, FX uses a transcriptome-based reference primarily, generated from ~160 000 mRNA sequences from RefSeq, UCSC and Ensembl databases. This approach reduces the misalignment of reads originating from splicing junctions. Unmapped reads not aligned on known transcripts are then mapped on the human genome reference. FX allows analysis of RNA-Seq data on cloud computing infrastructures, supporting access through a user-friendly web interface.
Availability: FX is freely available on the web at (http://fx.gmi.ac.kr), and can be installed on local Hadoop clusters. Guidance for the installation and operation of FX can be found under the ‘Documentation’ menu on the website.
Contact: jeongsun@snu.ac.kr; jongil@snu.ac.kr
Supplementary information: Supplementary data are available at Bioinformatics online.
Exact coalescent simulation of new haplotype data from existing reference haplotypes
Authors: Kang Chul Joo , Marjoram Paul 
Published: January 2012

Abstract
Motivation: We introduce a coalescent-based method (RECOAL) for the simulation of new haplotype data from a reference population of haplotypes. A coalescent genealogy for the reference haplotype data is sampled from the appropriate posterior probability distribution, then a coalescent genealogy is simulated which extends the sampled genealogy to include new haplotype data. The new haplotype data will, therefore, contain both some of the existing polymorphic sites and new polymorphisms added based on the structure of the simulated coalescent genealogy. This allows exact coalescent simulation of new haplotype data, compared with other methods which are more approximate in nature.
Results: We demonstrate the performance of our method using a variety of data simulated under a coalescent model, before applying it to data from the 1000 Genomes project.
Availability: The source code is freely available for download at ftp://popgen.usc.edu
Contact: chulkang@usc.edu
Supplementary information: Supplementary data are available at Bioinformatics online.