bluuebunny/crossref_metadata_2025_split huggingface dataset:
Thermodynamic study of hydrocarbon synthesis from carbon dioxide and hydrogen
Authors: Yao Benzhen , Ma Wangjing , Gonzalez‐Cortes Sergio , Xiao Tiancun , Edwards Peter P. 
Published: June 2017

AbstractThe thermodynamics of jet fuel range alkane synthesis from carbon dioxide and hydrogen has been investigated. The hydrocarbon synthesis process is divided into three elementary steps, including light olefins formation (C2‐C6) from hydrogenation of CO2, α‐olefins (C7‐C16) synthesis from oligomerization of light olefins, and hydrogenation of α‐olefins (C8‐C16) to straight‐chain paraffin (C8‐C16). The enthalpy changes and Gibbs free energy changes of the relevant reactions were calculated, and the equilibrium products distribution was computed based on the Gibbs free energy minimization method. The calculation results show that lower temperature (below 673.15 K), higher pressure (3 MPa), higher molar ratio of H2 to CO2 (3:1‐4:1), and introducing a small amount of N2 in the reactants are favorable for the hydrogenation of CO2; lower temperature (below 500 K), higher pressure (2‐3 MPa), addition of N2 is favorable for the oligomerization of light olefins; and lower temperature (below 700 K), higher pressure (2‐3 MPa), and addition of N2 is favorable for the hydrogenation of α‐olefins. The overall positive effect of introducing N2 results from its heat dilution of the process. © 2017 Society of Chemical Industry and John Wiley & Sons, Ltd.
The relationship between moderate alcohol consumption, depressive symptomatology, and C‐reactive protein: the Health and Retirement Study
Authors: Paulson Daniel , Shah Mona , Herring Danielle , Scott Rosanna , Herrera Manuel , Brush David , Bassett Rachel 
Published: June 2017

ObjectiveModerate alcohol use has been broadly associated with health benefits among older adults, including improved mood. Aims of this study were to evaluate the relationship of moderate alcohol use and depressive symptomatology over a period of eight years, and to examine inflammation, indicated by C‐reactive protein (CRP), as one mechanism by which this relationship functions.MethodsThe study included 3177 community‐dwelling participants over the age of 65 in 2008 drawn from the Health and Retirement Study. Data from the 2006, 2008, 2012, and 2014 waves were used. Alcohol use was measured via self‐report and was dichotomized as abstinent (0 drinks per week) and moderate (1–14 drinks per week). Inflammation was measured using CRP, which was collected using an enzyme‐linked immunosorbent assay and provided in units of μg/mL. Control variables included gender, age, body mass index (BMI), and medical burden.ResultsA latent growth curve model with full information maximum likelihood was used, with results revealing that moderate drinkers endorsed fewer depressive symptoms at baseline and a steeper rate of change over time. Abstinent respondents' depressive symptomatology was characterized by a more linear change rate. Further, moderate drinkers had lower CRP levels suggesting that inflammation partially mediates the relationship between moderate alcohol use and depressive symptomatology.ConclusionsModerate alcohol use predicts fewer depressive symptoms among older adults. This relationship is partially moderated by CRP and is eroded by the passage of time. Future research should identify additional mechanisms relating alcohol to positive health outcomes and less depressive symptomatology. Copyright © 2017 John Wiley & Sons, Ltd.
Recent Advances in Bifunctional Paramagnetic Chelates for MRI
Authors: Giovenzana Giovanni B. , Lattuada Luciano , Negri Roberto 
Published: June 2017

AbstractMagnetic resonance imaging (MRI) is a non‐invasive diagnostic modality routinely employed in modern clinical medicine to collect images of the internal organs of the human body. Contrast agents (CA) are usually administered to patients to improve the sensitivity of this technique and nowadays these agents are gadolinium complexes. Bifunctional chelating agents (BFCAs) are dual molecules containing a multidentate ligand, able to strongly coordinate a metal ion, and a reactive moiety for conjugation purposes. With BFCAs an easy labelling of biomolecules or vectors with paramagnetic ions is possible, allowing the in vivo MRI visualization of diseases at cellular or molecular level.
Simulation Based Investigation of Deleterious nsSNPs in ATXN2 Gene and Its Structural Consequence Toward Spinocerebellar Ataxia
Authors: Sinha Siddharth , Verma Sharad , Singh Aditi , Somvanshi Pallavi , Grover Abhinav 
Published: June 2017

ABSTRACTSpinocerebellar degeneration, termed as ataxia is a neurological disorder of central nervous system, characterized by limb in‐coordination and a progressive gait. The patient also demonstrates specific symptoms of muscle weakness, slurring of speech, and decreased vibration senses. Expansion of polyglutamine trinucleotide (CAG) within ATXN2 gene with 35 or more repeats, results in spinocerebellar ataxia type‐2. Protein ataxin‐2 coded by ATXN2 gene has been reported to have a crucial role in translation of the genetic information through sequestering the histone acetyl transferases (HAT) resulting in a state of hypo‐acetylation. In the present study, we have evaluated the outcome for 122 non synonymous single nucleotide polymorphisms (nsSNPs) reported within ATXN2 gene through computational tools such as SIFT, PolyPhen 2.0, PANTHER, I‐mutant 2.0, Phd‐SNP, Pmut, MutPred. The apo and mutant (L305V and Q339L) form of structures for the ataxin‐2 protein were modeled for gaining insights toward 3D spatial arrangement. Further, molecular dynamics simulations and structural analysis were performed to observe the brunt of disease associated nsSNPs toward the strength and secondary properties of ataxin‐2 protein structure. Our results showed that, L305V is a highly deleterious and disease causing point substitution. Analysis based on RMSD, RMSF, Rg, SASA, number of hydrogen bonds (NH bonds), covariance matrix trace, projection analysis for eigen vector demonstrated a significant instability and conformation along with rise in mutant flexibility values in comparison to the apo form of ataxin‐2 protein. The study provides a blue print of computational methodologies to examine the ataxin‐blend SNPs. J. Cell. Biochem. 119: 499–510, 2018. © 2017 Wiley Periodicals, Inc.
Population Pharmacokinetic and Exposure–Response Analysis of Weekly Teriparatide in Osteoporosis Patients
Authors: Ose Atsushi , Serada Masashi , Yamashita Keiko , Tsurui Kazuyuki , Tanigawara Yusuke 
Published: June 2017

AbstractTeriparatide is a potent therapeutic agent for the treatment of osteoporosis. One of the aims of this analysis was to develop a population pharmacokinetic (PPK) model to understand the pharmacokinetic characteristics of the once‐weekly formulation of teriparatide. Another aim was to develop an exposure–response model to describe the relationship between change in bone mineral density (BMD) and teriparatide exposure after weekly subcutaneous administration. The PPK analysis showed that apparent total body clearance was significantly influenced by estimated creatinine clearance and the presence of osteoporosis. A data set consisting of lumbar spine BMD values for 513 osteoporosis patients whose area under the concentration–time curve (AUC) of teriparatide acetate was estimated by the developed PPK model was then compiled. Exposure–response analysis showed that the percentage change from baseline of BMD was well described by a function of the AUC of teriparatide acetate, time, and coadministration of alfacalcidol and a calcium preparation. The analysis indicated that AUC is an important parameter for predicting BMD response to once‐weekly teriparatide in osteoporosis patients.
Regional trade institutions in West Africa: Historical reflections
Authors: Bah Essa , Jackson Karen , Potts David 
Published: June 2017

AbstractThis paper reflects on trade institutions across West Africa from the Empirehood to the present day. We found that regional trade institutions were more standardised across West Africa before the current countries gained their independence. We argue that reflection on past trade institutions could provide important guidance for policy makers currently involved in deepening the Economic Community of West African States. Our review of the literature suggests that the Empirehood was an era with more standardised trade institutions across the region relative to the current ones. Societal norms and political consensus such as the ‘Mande charter’ and the coming of Islam created a discipline that enhanced confidence in the ability to trade, which was facilitated by common trade institutions such as convertible common currencies and letters of credit. During the colonial era, West African common currencies were also established to facilitate exchange. Historical changes in governance resulted in the loss of some facets of well‐functioning trade institutions. This paper argues that historical context can provide policy makers with the confidence that current institutional barriers to trade can be addressed. Economic Community of West African States members could reflect on historical good practices if they are to accelerate the integration process and to realise the full potential of regional trade. Copyright © 2017 John Wiley & Sons, Ltd.
A structural perspective on the interactions of TRAF6 and Basigin during the onset of melanoma: A molecular dynamics simulation study
Authors: Biswas Ria , Ghosh Semanti , Bagchi Angshuman 
Published: June 2017

AbstractMetastatic melanoma is the most fatal type of skin cancer. The roles of matrix metalloproteinases (MMPs) have well been established in the onset of melanoma. Basigin (BSG) belongs to the immunoglobulin superfamily and is critical for induction of extracellular MMPs during the onset of various cancers including melanoma. Tumor necrosis factor receptor‐associated factor 6 (TRAF6) is an E3‐ligase that interacts with BSG and mediates its membrane localization, which leads to MMP expression in melanoma cells. This makes TRAF6 a potential therapeutic target in melanoma. We here conducted protein‐protein interaction studies on TRAF6 and BSG to get molecular level insights of the reactions. The structure of human BSG was constructed by protein threading. Molecular‐docking method was applied to develop the TRAF6‐BSG complex. The refined docked complex was further optimized by molecular dynamics simulations. Results from binding free energy, surface properties, and electrostatic interaction analysis indicate that Lys340 and Glu417 of TRAF6 play as the anchor residues in the protein interaction interface. The current study will be helpful in designing specific modulators of TRAF6 to control melanoma metastasis.
Inter‐seasonal variability of wind‐waves and their attenuation characteristics by mangroves in a reversing wind system
Authors: K. G. Parvathy , P. A. Umesh , Bhaskaran Prasad K. 
Published: June 2017

ABSTRACTThe mutual interaction between surface gravity waves and vegetation such as mangroves using numerical wave models can provide better location specific wave forecasts having practical implications in the overall development of better near‐shore wave climatology. Sundarban delta bordering the head Bay of Bengal is the largest mangrove forest in the world, and the present study reports on inter‐seasonal variability of wave damping in presence of mangroves that thrive on a region dominated by seasonal reversing wind field. It aims to understand relative wave attenuation characteristics during a period of one year over this region that experiences a seasonal reversal of wind system. The study considers a multi‐scale nested modelling approach to account for distant swells that propagate from Southern Ocean reaching various destinations in the North Indian Ocean region. The model was forced using 0.25° × 0.25° spatial resolution 6‐hourly ECMWF ERA‐Interim winds for coarse grid WAM and SWAN runs, and NCDC blended winds with a similar spatial and temporal resolution was used to force SWAN model executed in a flexible unstructured mesh. To avoid model uncertainties of providing wind from two different sources, the wind data of same temporal and spatial resolution has been adopted. The present study quantifies relative rate of wave energy dissipation for monthly and seasonal scales such as pre‐monsoon, monsoon and post‐monsoon periods by analysing characteristic variation of wave parameters and their spectral energy in presence of mangroves. The study has put forth an effort to validate model results against altimeter measurements and ERA‐Interim data, as no actual measurements are available to validate model results simulated in the presence of mangroves. This study solely emphasizes on role of reversing wind system on relative wave attenuation characteristics and highlights the importance of a more detailed investigation to ascertain impact of varying vegetation parameters on wave attenuation characteristics.
Vaccinium meridionale Swartz extracts and their addition in beef burgers as antioxidant ingredient
Authors: López‐Padilla Alexis , Martín Diana , Villanueva Bermejo David , Jaime Laura , Ruiz‐Rodriguez Alejandro , Restrepo Flórez Claudia Estela , Rivero Barrios Diana Marsela , Fornari Tiziana 
Published: June 2017

AbstractBACKGROUNDVaccinium meridionale Swartz (mortiño) constitutes a source of bioactive phytochemicals, but reports related to its efficient and green production are scarce. In this study, pressurized liquid extraction (PLE) and ultrasound‐assisted extraction of mortiño were compared. Total phenolic content (TPC) and antioxidant capacity (ABTS•+) were determined. Beef burgers with 20 g kg−1 of mortiño (MM) or its PLE extract (ME) were manufactured. Lipid oxidation (TBARS) and instrumental color changes were measured after refrigerated storage.RESULTSHigh TPC (up to 72 g gallic acid equivalent kg−1 extract) was determined in mortiño extracts, which was positively correlated with antioxidant activity. TBARS values of beef burgers containing either MM or ME did not change after refrigerated storage, whereas lipid oxidation of control burgers increased significantly. The color of burgers with added MM or ME was different (lower b* and a* values) from that of control burgers. However, the evolution of color after storage was similar between control and ME samples.CONCLUSIONMortiño extracts with high TPC can be obtained by PLE. Both mortiño and its PLE extract are able to control lipid oxidation of beef burgers, but the extract is preferred from the color quality point of view. © 2017 Society of Chemical Industry
High‐Pressure Nebulization as Application Route for the Peritoneal Administration of siRNA Complexes
Authors: Minnaert An‐Katrien , Dakwar George R. , Benito Juan M. , García Fernández José M. , Ceelen W. , De Smedt Stefaan C. , Remaut Katrien 
Published: June 2017

AbstractPeritoneal carcinomatosis is a severe form of cancer in the abdomen, currently treated with cytoreductive surgery and intravenous chemotherapy. Recently, nebulization has been proposed as a less invasive strategy for the local delivery of chemotherapeutic drugs. Also, RNA interference has been considered as a potential therapeutic approach for treatment of cancer. In this study, Lipofectamine RNAiMAX/siRNA complexes and cyclodextrin/siRNA complexes are evaluated before and after nebulization. Nebulization of the siRNA complexes does not significantly lower transfection efficiency when compared to non‐nebulized complexes. After incubation in ascites fluid, however, the cyclodextrin/siRNA complexes show a drastic decrease in transfection efficiency. For the Lipofectamine RNAiMAX/siRNA complexes, this decrease is less pronounced. It is concluded that nebulization is an interesting technique to distribute siRNA complexes into the peritoneal cavity, providing the complexes are stable in ascites fluid which might be present in the peritoneal cavity.
The effective stress concept and the evaluation of changes in pore air pressure under jacketed isotropic compression tests for dry sand based on the 2‐phase porous theory
Authors: Kimoto Sayuri , Oka Fusao , Morimoto Yasuhiro 
Published: June 2017

SummaryThe effective stress concept for solid‐fluid 2‐phase media was revisited in this work. In particular, the effects of the compressibility of both the pore fluid and the soil particles were studied under 3 different conditions, i.e., undrained, drained, and unjacketed conditions based on a Biot‐type theory for 2‐phase porous media. It was confirmed that Terzaghi effective stress holds at the moment when soil grains are assumed to be incompressible and when the compressibility of the pore fluid is small enough compared to that of the soil skeleton. Then, isotropic compression tests for dry sand under undrained conditions were conducted within the triaxial apparatus in which the changes in the pore air pressure could be measured. The ratio of the increment in the cell pressure to the increment in the pore air pressure, m, corresponds to the inverse of the B value by Bishop and was obtained during the step loading of the cell pressure. In addition, the m values were evaluated by comparing them with theoretically obtained values based on the solid‐fluid 2‐phase mixture theory. The experimental m values were close to the theoretical values, as they were in the range of approximately 40 to 185, depending on the cell pressure. Finally, it was found that the soil material with a highly compressible pore fluid, such as air, must be analyzed with the multi‐phase porous mixture theory. However, Terzaghi effective stress is practically applicable when the compressibilities of both the soil particles and the pore fluid are small enough compared to that of the soil skeleton.
The uniqueness of multilinear PageRank vectors
Authors: Li Wen , Liu Dongdong , Ng Michael K. , Vong Seak‐Weng 
Published: June 2017

SummaryThe uniqueness of multilinear PageRank vectors is discussed, and the new uniqueness condition is given. The new results are better than the one given in the work of Gleich et al. published in SIAM J Matrix Anal Appl. 2015;36;1409‐1465. Numerical examples are given to demonstrate the new theoretical results.
Outcome of adolescents and young adults compared to children with Hodgkin lymphoma treated with response‐based chemotherapy on pediatric protocols: A Children's Oncology Group report
Authors: Fernández Karen S. , Schwartz Cindy L. , Chen Lu , Constine Louis S. , Chauvenet Allen , de Alarcón Pedro A. 
Published: June 2017

AbstractPurposeWe evaluated the outcome of children (<15 years) versus that of adolescents and young adults (AYA; 15–≤ 21 years) treated for Hodgkin lymphoma (HL) in two Pediatric Oncology Group/Children's Oncology Group clinical trials, P9425 and P9426, that used dose‐dense, response‐based chemotherapy and reduced dose radiotherapy.Patients and methodsSubjects 21 years or younger with HL were eligible for these studies. Subjects with low‐risk (stages IA, IIA, and IIIA1) without large mediastinal adenopathy biopsy‐proven HL, eligible for P9426, were treated with two to four 28‐day cycles of doxorubicin, bleomycin, vincristine, and etoposide (ABVE) chemotherapy and 25.5 Gy of involved field radiotherapy. Subjects with intermediate‐risk (stages IB, IIA, IIIA1 with large mediastinal adenopathy, and IIIA2) and high‐risk (stages IIB, IIIB, and IV) biopsy‐proven HL, eligible for P9425, were treated with three to five 21‐day cycles of ABVE plus prednisone and cyclophosphamide (ABVE‐PC) chemotherapy and 21 Gy of involved region radiotherapy. We compared the 5‐year event‐free survival (EFS), based on Kaplan–Meier product‐limit method, of children versus that of AYA.ResultsFour hundred seventy‐one subjects were enrolled on P9425 and P9426 combined. Of these subjects, 203 were AYA, 104 with intermediate and high‐risk HL, and 99 with low‐risk HL. The 5‐year EFS of children did not significantly differ from that of AYA (85.9 vs. 87.1%) with a median follow up of 7.7 years (P= 0.51).ConclusionGiven the equivalent and excellent results of therapy, HL represents an opportunity for adult and pediatric cancer treatment collaborative groups to jointly design clinical trials targeted to AYA. These trials should focus on both treatment efficacy and the quality of life of AYA while receiving chemotherapy and in reduction of long‐term side effects in the survivorship years.
Metabolome Comparison of Bioactive and Inactive Rhododendron Extracts and Identification of an Antibacterial Cannabinoid(s) from Rhododendron collettianum
Authors: Hakeem Said Inamullah , Rezk Ahmed , Hussain Ishtiaq , Grimbs Anne , Shrestha Abhinandan , Schepker Hartwig , Brix Klaudia , Ullrich Matthias S. , Kuhnert Nikolai 
Published: June 2017

AbstractIntroductionThe science of metabolomics offers the possibility to measure full secondary plant metabolomes with limited experimental effort to allow identification of metabolome differences using principal component analysis (PCA) and partial least squares discriminant analysis (PLS‐DA) of liquid chromatography mass spectrometry (LC‐MS) data.ObjectiveTo demonstrate a bioinformatics driven hypothesis generator for identification of biologically active compounds in plant crude extracts, which is validated by activity guided fractionation.MethodologyCrude extracts of Rhododendron leaves were tested for their antibacterial activity using agar diffusion and minimum inhibitory concentration assays. Extracts were profiled by LC‐MS. PCA and PLS‐DA were used for differentiation of bioactive and inactive extracts and their metabolites. Preparative‐high performance liquid chromatography (HPLC) and nuclear magnetic resonance (NMR) spectroscopy were used for separation and structure elucidation of pure compound(s) respectively.ResultsAn antibacterial Rhododendron collettianum was compared to a series of inactive extracts. Three metabolites were found to distinguish R. collettianum from other species indicating the ability of PCA and PLS‐DA to suggest potential bioactive substances. An activity‐guided fractionation of R. collettianum extracts was carried out and cannabiorcichromenic acid (CCA) was identified as antibacterial compound thereby validating the PCA and PLS‐DA generated hypothesis. Four mammalian cell lines were used to estimate possible cytotoxicity of CCA.ConclusionIt was shown that bioinformatics tools facilitate early stage identification of a biologically active compound(s) using LC‐MS data, which reduce complexity and number of separation steps in bioactive screening. Copyright © 2017 John Wiley & Sons, Ltd.