bluuebunny/crossref_metadata_2025_split huggingface dataset:
Structural insights into natural compounds as inhibitors of Fasciola gigantica thioredoxin glutathione reductase
Authors: Shukla Rohit , Shukla Harish , Kalita Parismita , Tripathi Timir 
Published: October 2017

AbstractFascioliasis is caused by the helminth parasites of genus Fasciola. Thioredoxin glutathione reductase (TGR) is an important enzyme in parasitic helminths and plays an indispensable role in its redox biology. In the present study, we conducted a structure‐based virtual screening of natural compounds against the Fasciola gigantica TGR (FgTGR). The compounds were docked against FgTGR in four sequential docking modes. The screened ligands were further assessed for Lipinski and ADMET prediction so as to evaluate drug proficiency and likeness property. After refinement, three potential inhibitors were identified that were subjected to 50 ns molecular dynamics simulation and free energy binding analyses to evaluate the dynamics of protein‐ligand interaction and the stability of the complexes. Key residues involved in the interaction of the selected ligands were also determined. The results suggested that three top hits had a negative binding energy greater than GSSG (−91.479 KJ · mol−1), having −152.657, −141.219, and −92.931 kJ · mol−1 for compounds with IDs ZINC85878789, ZINC85879991, and ZINC36369921, respectively. Further analysis showed that the compound ZINC85878789 and ZINC85879991 displayed substantial pharmacological and structural properties to be a drug candidate. Thus, the present study might prove useful for the future design of new derivatives with higher potency and specificity.
Enzymatic fructose removal from D‐psicose bioproduction model solution and the system modeling and simulation
Authors: Li Can , Zhang Chengjia , Lin Jianqun , Gao Ling , Lin Huibin , Lin Jianqiang 
Published: October 2017

AbstractBACKGROUNDThe rare sugar D‐psicose has important physiological functions, and has been used as an ingredient in foods and dietary supplements. It can be mass produced from D‐fructose in industry. However, separation of D‐psicose from D‐fructose is difficult.RESULTSIn this research, a reaction purification system consisting of two continuous stirred tank reactors (CSTR) containing immobilized glucose isomerase (GI) and glucose oxidase (GOD), respectively, for D‐fructose removal was constructed. Using this system D‐fructose was transformed into gluconic acid and separated from D‐psicose easily using anion exchange resin. Modeling and simulation was carried out for this system and the model was verified by experiments and used in process predictions.CONCLUSIOND‐Psicose can be efficiently purified using the proposed reaction purification system. The final purity of the D‐psicose is 91.2%, which meets the need for crystallization to obtain highly purified product. The mathematical model developed for this system can simulate and predict the process well, which is useful in process analysis, prediction, and optimization to save time and costs compared with laboratory experiments. © 2017 Society of Chemical Industry
Stability of stored salinity samples
Authors: Berx Barbara E. M. , Lee David , Geldart Matthew , Gallego Alejandro 
Published: October 2017

AbstractOceanographers measure water sample salinity in a laboratory environment to calibrate conductivity sensors or as a sole measure of in situ salinity. Established practice compares instrument performance against IAPSO Standard Seawater standards. Secondary standards can be used to reduce costs associated with assessing performance. However, results from our studies show the use of a secondary standard can also track the potential impact of prolonged sample storage. Initial results from secondary standard samples, used to trace instrument drift, showed erratic salinities. Two storage experiments were conducted to determine the potential cause of these results, and establish stability of stored salinity samples. The cause was identified as the plastic insert used to seal the glass bottles that originated from a faulty batch. We recommend that, where salinity samples are stored for subsequent analysis (longer than 1 month in our storage conditions), a secondary standard is used to track instrument drift and sample storage as a matter of course.
Chronic pain has a strong impact on quality of life in facioscapulohumeral muscular dystrophy
Authors: Morís Germán , Wood Libby , FernáNdez‐Torrón Roberto , González Coraspe José Andrés , Turner Chris , Hilton‐Jones David , Norwood Fiona , Willis Tracey , Parton Matt , Rogers Mark , Hammans Simon , Roberts Mark , Househam Elizabeth , Williams Maggie , Lochmüller Hanns , Evangelista Teresinha 
Published: October 2017

ABSTRACTIntroductionEarlier small case series and clinical observations reported on chronic pain playing an important role in facioscapulohumeral dystrophy (FSHD). The aim of this study was to determine the characteristics and impact of pain on quality of life (QoL) in patients with FSHD.MethodsWe analyzed patient reported outcome measures collected through the U.K. FSHD Patient Registry.ResultsOf 398 patients, 88.6% reported pain at the time of study. The most frequent locations were shoulders and lower back. A total of 203 participants reported chronic pain, 30.4% of them as severe. The overall disease impact on QoL was significantly higher in patients with early onset and long disease duration. Chronic pain had a negative impact on all Individualised Neuromuscular Quality of Life Questionnaire domains and overall disease score.DiscussionOur study shows that pain in FSHD type 1 (FSHD1) is frequent and strongly impacts on QoL, similar to other chronic, painful disorders. Management of pain should be considered when treating FSHD1 patients. Muscle Nerve 57: 380–387, 2018
Label‐Free Quantitative Proteomic Analysis of Differentially Expressed Membrane Proteins of Pulmonary Alveolar Macrophages Infected with Highly Pathogenic Porcine Reproductive and Respiratory Syndrome Virus and Its Attenuated Strain
Authors: Qu Zehui , Gao Fei , Li Liwei , Zhang Yujiao , Jiang Yifeng , Yu Lingxue , Zhou Yanjun , Zheng Hao , Tong Wu , Li Guoxin , Tong Guangzhi 
Published: October 2017

AbstractSignificant differences exist between the highly pathogenic (HP) porcine reproductive and respiratory syndrome virus (PRRSV) and its attenuated pathogenic (AP) strain in the ability to infect host cells. The mechanisms by which different virulent strains invade host cells remain relatively unknown. In this study, pulmonary alveolar macrophages (PAMs) are infected with HP‐PRRSV (HuN4) and AP‐PRRSV (HuN4‐F112) for 24 h, then harvested and subjected to label‐free quantitative MS. A total of 2849 proteins are identified, including 95 that are differentially expressed. Among them, 26 proteins are located on the membrane. The most differentially expressed proteins are involved in response to stimulus, metabolic process, and immune system process, which mainly have the function of binding and catalytic activity. Cluster of differentiation CD163, vimentin (VIM), and nmII as well as detected proteins are assessed together by string analysis, which elucidated a potentially different infection mechanism. According to the function annotations, PRRSV with different virulence may mainly differ in immunology, inflammation, immune evasion as well as cell apoptosis. This is the first attempt to explore the differential characteristics between HP‐PRRSV and its attenuated PRRSV infected PAMs focusing on membrane proteins which will be of great help to further understand the different infective mechanisms of HP‐PRRSV and AP‐PRRSV.
Combining protein sequence, structure, and dynamics: A novel approach for functional evolution analysis of PAS domain superfamily
Authors: Dong Zheng , Zhou Hongyu , Tao Peng 
Published: October 2017

AbstractPAS domains are widespread in archaea, bacteria, and eukaryota, and play important roles in various functions. In this study, we aim to explore functional evolutionary relationship among proteins in the PAS domain superfamily in view of the sequence‐structure‐dynamics‐function relationship. We collected protein sequences and crystal structure data from RCSB Protein Data Bank of the PAS domain superfamily belonging to three biological functions (nucleotide binding, photoreceptor activity, and transferase activity). Protein sequences were aligned and then used to select sequence‐conserved residues and build phylogenetic tree. Three‐dimensional structure alignment was also applied to obtain structure‐conserved residues. The protein dynamics were analyzed using elastic network model (ENM) and validated by molecular dynamics (MD) simulation. The result showed that the proteins with same function could be grouped by sequence similarity, and proteins in different functional groups displayed statistically significant difference in their vibrational patterns. Interestingly, in all three functional groups, conserved amino acid residues identified by sequence and structure conservation analysis generally have a lower fluctuation than other residues. In addition, the fluctuation of conserved residues in each biological function group was strongly correlated with the corresponding biological function. This research suggested a direct connection in which the protein sequences were related to various functions through structural dynamics. This is a new attempt to delineate functional evolution of proteins using the integrated information of sequence, structure, and dynamics.
Inferior In Vivo Osteogenesis and Superior Angiogeneis of Human Adipose-Derived Stem Cells Compared with Bone Marrow-Derived Stem Cells Cultured in Xeno-Free Conditions
Authors: Brennan Meadhbh A. , Renaud Audrey , Guilloton Fabien , Mebarki Miryam , Trichet Valerie , Sensebé Luc , Deschaseaux Frederic , Chevallier Nathalie , Layrolle Pierre 
Published: October 2017

Abstract
The possibility of using adipose tissue-derived stromal cells (ATSC) as alternatives to bone marrow-derived stromal cells (BMSC) for bone repair has garnered interest due to the accessibility, high cell yield, and rapid in vitro expansion of ATSC. For clinical relevance, their bone forming potential in comparison to BMSC must be proven. Distinct differences between ATSC and BMSC have been observed in vitro and comparison of osteogenic potential in vivo is not clear to date. The aim of the current study was to compare the osteogenesis of human xenofree-expanded ATSC and BMSC in vitro and in an ectopic nude mouse model of bone formation. Human MSC were implanted with biphasic calcium phosphate biomaterials in subcutis pockets for 8 weeks. Implant groups were: BMSC, ATSC, BMSC and ATSC mixed together in different ratios, as well as MSC primed with either osteogenic supplements (250 μM ascorbic acid, 10 mM β-glycerolphosphate, and 10 nM dexamethasone) or 50 ng/ml recombinant bone morphogenetic protein 4 prior to implantation. In vitro results show osteogenic gene expression and differentiation potentials of ATSC. Despite this, ATSC failed to form ectopic bone in vivo, in stark contrast to BMSC, although osteogenic priming did impart minor osteogenesis to ATSC. Neovascularization was enhanced by ATSC compared with BMSC; however, less ATSC engrafted into the implant compared with BMSC. Therefore, in the content of bone regeneration, the advantages of ATSC over BMSC including enhanced angiogenesis, may be negated by their lack of osteogenesis and prerequisite for osteogenic differentiation prior to transplantation.
Media Convergence Meets Deconvergence
Authors: Peil Corinna , Sparviero Sergio 
Published: October 2017

Abstract
This introductory chapter explains that there is a widely shared understanding of the imperative nature of media convergence, which is based on different notions connecting positive goals such as efficiency, synergy, simplification, information abundance, participation, availability and multimodality. These social imaginaries of media convergence are powerful concepts that influence political agendas and legitimize policy decisions. In this book, these privileged meanings of media convergence are challenged by presenting alternative and mostly overlooked trends and theories defined under the umbrella term of media deconvergence. The perspective of deconvergence helps to shed light on sites of tension and the simultaneity of competing forces such as coalescence and drifting apart, or linearity and discontinuity. Two of these sites of tension are analyzed more carefully in this chapter: the user’s perspective and the (de)convergence of markets.
Clinical Outcomes of Gastric Cancer Patients Who Underwent Proximal or Total Gastrectomy: A Propensity Score‐Matched Analysis
Authors: Ushimaru Yuki , Fujiwara Yoshiyuki , Shishido Yuji , Yanagimoto Yoshitomo , Moon Jeong‐Ho , Sugimura Keijiro , Omori Takeshi , Miyata Hiroshi , Yano Masahiko 
Published: October 2017

AbstractBackgroundTotal gastrectomy (TG) and proximal gastrectomy (PG) are used to treat upper‐third early gastric cancer. To date, no consensus has been reached regarding which procedure should be selected. The aim of this study was to validate the usefulness of preserving the stomach in early upper‐third gastric cancer.MethodsBetween 2004 and 2013, 201 patients underwent PG or TG at our institution for treatment of upper‐third early gastric cancer. According to the defined inclusion and exclusion criteria, 192 cases were enrolled in this study. One‐to‐one propensity score matching was performed to compare the outcomes between the two groups.ResultsThe operation time was shorter in the PG group. Although no significant difference was observed, the PG group had less bleeding and fewer postoperative complications. R0 resection rate was 100%, and no surgery‐related deaths were observed. The frequencies of reflux symptoms and anastomotic stenosis were significantly higher in the PG group, but could be controlled by balloon dilation and drug therapy. The maintenance rates of body mass index and lean body mass were significantly higher in patients who underwent PG than TG. The total protein and serum albumin values were higher in the PG group than in the TG group and remained statistically superior.ConclusionPG group exhibited better perioperative performance. Furthermore, better nutritional results were obtained in the PG group. Although the late stenosis and reflux symptoms must be addressed, the PG is a preferable surgical procedure for the treatment of early proximal gastric cancer.
Glutamine supplementation reduces markers of intestinal permeability during running in the heat in a dose-dependent manner
Authors: Pugh Jamie N. , Sage Stephen , Hutson Mark , Doran Dominic A. , Fleming Simon C. , Highton Jamie , Morton James P. , Close Graeme L. 
Published: October 2017

Abstract
Purpose
To examine the dose–response effects of acute glutamine supplementation on markers of gastrointestinal (GI) permeability, damage and, secondary, subjective symptoms of GI discomfort in response to running in the heat.

Methods
Ten recreationally active males completed a total of four exercise trials; a placebo trial and three glutamine trials at 0.25, 0.5 and 0.9 g kg−1 of fat-free mass (FFM) consumed 2 h before exercise. Each exercise trial consisted of a 60-min treadmill run at 70% of $$\dot {V}{{\text{O}}_{{\text{2max}}}}$$

V
˙

O
2max

in an environmental chamber set at 30 °C. GI permeability was measured using ratio of lactulose to rhamnose (L:R) in serum. Plasma glutamine and intestinal fatty acid binding protein (I-FABP) concentrations were determined pre and post exercise. Subjective GI symptoms were assessed 45 min and 24 h post-exercise.

Results
Relative to placebo, L:R was likely lower following 0.25 g kg−1 (mean difference: − 0.023; ± 0.021) and 0.5 g kg−1 (− 0.019; ± 0.019) and very likely following 0.9 g kg− 1 (− 0.034; ± 0.024). GI symptoms were typically low and there was no effect of supplementation.

Discussion
Acute oral glutamine consumption attenuates GI permeability relative to placebo even at lower doses of 0.25 g kg−1, although larger doses may be more effective. It remains unclear if this will lead to reductions in GI symptoms. Athletes competing in the heat may, therefore, benefit from acute glutamine supplementation prior to exercise in order to maintain gastrointestinal integrity.
Chronic Exercise Reduces CETP and Mesterolone Treatment Counteracts Exercise Benefits on Plasma Lipoproteins Profile: Studies in Transgenic Mice
Authors: Casquero Andrea Camargo , Berti Jairo Augusto , Teixeira Laura Lauand Sampaio , de Oliveira Helena Coutinho Franco 
Published: October 2017

AbstractRegular exercise and anabolic androgenic steroids have opposing effects on the plasma lipoprotein profile and risk of cardio‐metabolic diseases in humans. Studies in humans and animal models show conflicting results. Here, we used a mice model genetically modified to mimic human lipoprotein profile and metabolism. They under‐express the endogenous LDL receptor gene (R1) and express a human transgene encoding the cholesteryl ester transfer protein (CETP), normally absent in mice. The present study was designed to evaluate the independent and interactive effects of testosterone supplementation, exercise training and CETP expression on the plasma lipoprotein profile and CETP activity. CETP/R1 and R1 mice were submitted to a 6‐week swimming training and mesterolone (MEST) supplementation in the last 3 weeks. MEST treatment increased markedly LDL levels (40%) in sedentary CETP/R1 mice and reduced HDL levels in exercised R1 mice (18%). A multifactorial ANOVA revealed the independent effects of each factor, as follows. CETP expression reduced HDL (21%) and increased non‐HDL (15%) fractions. MEST treatment increased the VLDL concentrations (42%) regardless of other interventions. Exercise training reduced triacylglycerol (25%) and free fatty acids (20%), increased both LDL and HDL (25–33%), and reduced CETP (19%) plasma levels. Significant factor interactions showed that the increase in HDL induced by exercise is explained by reducing CETP activity and that MEST blunted the exercise‐induced elevation of HDL‐cholesterol. These results reinforce the positive metabolic effects of exercise, resolved a controversy about CETP response to exercise and evidenced MEST potency to counteract specific exercise benefits.
A Calabi theorem for solutions to the parabolic Monge–Ampère equation with periodic data
Authors: Zhang Wei , Bao Jiguang 
Published: October 2017

We classify all solutions to

−u_{t}\mathrm{\det }⁡D^{2}u = f(x)\:\text{ in }\:\mathbb{R}_{−}^{n + 1},

where

f \in C^{\alpha }(\mathbb{R}^{n})

is a positive periodic function in

x

. More precisely, if

u

is a parabolically convex solution to above equation, then

u

is the sum of a convex quadratic polynomial in

x

, a periodic function in

x

and a linear function of

t

. It can be viewed as a generalization of the work of Gutiérrez and Huang in 1998. And along the line of approach in this paper, we can treat other parabolic Monge–Ampère equations.

Résumé
Nous classifions toutes les solutions à

−u_{t}\mathrm{\det }⁡D^{2}u = f(x)\:\text{ in }\:\mathbb{R}_{−}^{n + 1},

où

f \in C^{\alpha }(\mathbb{R}^{n})

est une fonction périodique positive en

x

. Plus précisément, si

u

est une solution paraboliquement convexe de l'équation ci-dessus, alors

u

est la somme d'un polynôme quadratique convexe en

x

, une fonction périodique en

x

et une fonction linéaire de

t

. Cela peut être considéré comme une généralisation du travail de Gutiérrez et Huang en 1998. Et le long de la ligne d'approche dans cet article, nous pouvons traiter d'autres équations paraboliques Monge–Ampère.
How Responsive are Political Elites? A Meta-Analysis of Experiments on Public Officials
Authors: Costa Mia 
Published: October 2017

AbstractIn the past decade, the body of research using experimental approaches to investigate the responsiveness of elected officials has grown exponentially. Given this explosion of work, a systematic assessment of these studies is needed not only to take stock of what we have learned so far about democratic responsiveness, but also to inform the design of future studies. In this article, I conduct the first meta-analysis of all experiments that examine elite responsiveness to constituent communication. I find that racial/ethnic minorities and messages sent to elected officials (as opposed to non-elected) are significantly less likely to receive a response. A qualitative review of the literature further suggests that some of these inequalities in responsiveness are driven by personal biases of public officials, rather than strategic, electoral considerations. The findings of this study provide important qualifications and context to prominent individual studies in the field.
Geometagenomics illuminates the impact of agriculture on the distribution and prevalence of plant viruses at the ecosystem scale
Authors: Bernardo Pauline , Charles-Dominique Tristan , Barakat Mohamed , Ortet Philippe , Fernandez Emmanuel , Filloux Denis , Hartnady Penelope , Rebelo Tony A , Cousins Stephen R , Mesleard François , Cohez Damien , Yavercovski Nicole , Varsani Arvind , Harkins Gordon W , Peterschmitt Michel , Malmstrom Carolyn M , Martin Darren P , Roumagnac Philippe 
Published: October 2017

AbstractDisease emergence events regularly result from human activities such as agriculture, which frequently brings large populations of genetically uniform hosts into contact with potential pathogens. Although viruses cause nearly 50% of emerging plant diseases, there is little systematic information about virus distribution across agro-ecological interfaces and large gaps in understanding of virus diversity in nature. Here we applied a novel landscape-scale geometagenomics approach to examine relationships between agricultural land use and distributions of plant-associated viruses in two Mediterranean-climate biodiversity hotspots (Western Cape region of South Africa and Rhône river delta region of France). In total, we analysed 1725 geo-referenced plant samples collected over two years from 4.5 × 4.5 km2 grids spanning farmlands and adjacent uncultivated vegetation. We found substantial virus prevalence (25.8–35.7%) in all ecosystems, but prevalence and identified family-level virus diversity were greatest in cultivated areas, with some virus families displaying strong agricultural associations. Our survey revealed 94 previously unknown virus species, primarily from uncultivated plants. This is the first effort to systematically evaluate plant-associated viromes across broad agro-ecological interfaces. Our findings indicate that agriculture substantially influences plant virus distributions and highlight the extent of current ignorance about the diversity and roles of viruses in nature.
Recent expansion of heat-activated retrotransposons in the coral symbiont Symbiodinium microadriaticum
Authors: Chen Jit Ern , Cui Guoxin , Wang Xin , Liew Yi Jin , Aranda Manuel 
Published: October 2017

Abstract
Rising sea surface temperature is the main cause of global coral reef decline. Abnormally high temperatures trigger the breakdown of the symbiotic association between corals and their photosynthetic symbionts in the genus Symbiodinium. Higher genetic variation resulting from shorter generation times has previously been proposed to provide increased adaptability to Symbiodinium compared to the host. Retrotransposition is a significant source of genetic variation in eukaryotes and some transposable elements are specifically expressed under adverse environmental conditions. We present transcriptomic and phylogenetic evidence for the existence of heat stress-activated Ty1-copia-type LTR retrotransposons in the coral symbiont Symbiodinium microadriaticum. Genome-wide analyses of emergence patterns of these elements further indicate recent expansion events in the genome of S. microadriaticum. Our findings suggest that acute temperature increases can activate specific retrotransposons in the Symbiodinium genome with potential impacts on the rate of retrotransposition and the generation of genetic variation under heat stress.