bluuebunny/crossref_metadata_2025_split huggingface dataset:
Hard modeling study of chemical equilibria in mixed solvents
Authors: Sheykhizadeh Saheleh , Naseri Abdolhossein , Abdollahi Hamid 
Published: December 2018

AbstractIn many years, intensive researches have focused on studying the chemical equilibria like complex formation and acid‐base titration in different solvent mixtures, such as methanol‐water. In this respect, it has been revealed that methanol‐water mixture is not a simple homogenous ideal mixture and it contains clusters of pure water (W), pure methanol (M), and associated methanol‐water molecules (MW) with a certain association constant that the solute can distribute among these clusters. To describe solute distribution in this chemical system, an exhausted model has been introduced, which is extended herein to illustrate the distribution of a solute with acid‐base behavior, ie, the neutral red indicator. Since it is imperative to determine the association constant of the solvents and the distribution constants of the solute for calculation of the solute's protonation constant in the mixture, this work employs UV‐vis spectrophotometry as a fast and convenient technique to calculate all these parameters. For this purpose, protonated and deprotonated forms of neutral red are monitored in various water‐methanol compositions. Moreover, the acid‐base equilibrium of neutral red in definite compositions of the solvent mixture is investigated using the data obtained from acid‐base titrations. Finally, the protonation constant of neutral red in MW clusters is determined by analyzing the titration data of three methanol‐water compositions after matrix augmentation and elimination of rank deficiency.
Synthesis and Biological Evaluation of the Novel Growth Inhibitor Streptol Glucoside, Isolated from an Obligate Plant Symbiont
Authors: Hsiao Chien‐Chi , Sieber Simon , Georgiou Antri , Bailly Aurélien , Emmanouilidou Despina , Carlier Aurélien , Eberl Leo , Gademann Karl 
Published: December 2018

AbstractThe plant Psychotria kirkii hosts an obligatory bacterial symbiont, Candidatus Burkholderia kirkii, in nodules on their leaves. Recently, a glucosylated derivative of (+)‐streptol, (+)‐streptol glucoside, was isolated from the nodulated leaves and was found to possess a plant growth inhibitory activity. To establish a structure–activity relationship study, a convergent strategy was developed to obtain several pseudosugars from a single synthetic precursor. Furthermore, the glucosylation of streptol was investigated in detail and conditions affording specifically the α or β glucosidic anomer were identified. Although (+)‐streptol was the most active compound, its concentration in P. kirkii plant leaves extract was approximately ten‐fold lower than that of (+)‐streptol glucoside. These results provide compelling evidence that the glucosylation of (+)‐streptol protects the plant host against the growth inhibitory effect of the compound, which might constitute a molecular cornerstone for this successful plant‐bacteria symbiosis.
Zeolitic Imidazolate Framework 8‐Derived Au@ZnO for Efficient and Robust Photocatalytic Degradation of Tetracycline
Authors: Gao Bijun , Zhou Jin , Wang Hongliang , Zhang Guping , He Jinghui , Xu Qingfeng , Li Najun , Chen Dongyun , Li Hua , Lu Jianmei 
Published: December 2018

Summary of main observation and conclusionTetracycline (TC) and other antibiotics accumulated in groundwater and soil pollute ecological environment and threaten human health. Gold nanoparticles doped on photocatalysts are able to enhance the photodegradation efficiency during removing these antibiotics, but preparation of Au nanoparticles of well‐dispersion on photocatalysts remains challenging. In this work, zeolite imidazolate (ZIF‐8) was employed as the precursor to prepare Au@ZnO photocatalyst via impregnation and in‐situ reduction method to efficiently degrade the tetracycline in the aqueous solution. Au nanoparticles are of 10 nm in size and uniformly dispersed on the surfaces of ZnO microstructures. The as‐prepared Au@ZnO is able to remove 85.5% of TC of 0.010 mg/mL within 2 h, presenting higher photocatalytic activity than pure ZnO catalyst. Most importantly, the catalyst shows its superior stability after five cycles without structure and activity changing. The mechanism of the photocatalytic degradation was discussed in detail.
Alcohol and ideal cardiovascular health: The Multi‐Ethnic Study of Atherosclerosis
Authors: Ogunmoroti Oluseye , Osibogun Olatokunbo , McClelland Robyn L. , Burke Gregory L. , Nasir Khurram , Michos Erin D. 
Published: December 2018

BackgroundAlcohol consumption is associated with cardiovascular disease (CVD), with moderate drinkers having decreased CVD risk compared to non‐ and heavy drinkers. However, whether alcohol consumption is associated with ideal cardiovascular health (CVH), assessed by the American Heart Association's (AHA) Life's Simple 7 (LS7) metrics, and whether associations differ by sex, is uncertain.HypothesisHeavy alcohol consumption is associated with worse CVH.MethodsWe explored associations between alcohol consumption and CVH in a multi‐ethnic population including 6506 participants free of CVD, aged 45 to 84 years. Each LS7 metric was scored 0 to 2 points. Total score was categorized as inadequate (0‐8), average (9‐10) and optimal (11‐14). Participants were classified as never, former or current drinkers. Current drinkers were categorized as <1 (light), 1 to 2 (moderate) and >2 (heavy) drinks/day. Multinomial logistic regression models assessed associations between alcohol and CVH, adjusted for age, sex, race/ethnicity, education, income, and health insurance.ResultsMean (SD) age was 62 (10) years, 53% were women. Compared to never drinkers, those with >2 drinks/day were less likely to have average [0.61 (0.43‐0.87)] and optimal CVH [0.29 (0.17‐0.49)]. Binge drinking was also associated with unfavorable CVH. Overall, there was no independent association for light or moderate drinking with CVH. However, women with 1 to 2 drinks/day were more likely to have optimal CVH [1.85 (1.19‐2.88)] compared to non‐drinking women, which was not seen in men.ConclusionHeavy alcohol consumption was associated with unfavorable CVH. Although light or moderate drinking may be associated with a more favorable CVH in women, overall, the association was not strong.
Unmet social support needs among older adults with cancer
Authors: Williams Grant R. , Pisu Maria , Rocque Gabrielle B. , Williams Courtney P. , Taylor Richard A. , Kvale Elizabeth A. , Partridge Edward E. , Bhatia Smita , Kenzik Kelly M. 
Published: December 2018

AbstractBackgroundAdequate social support for older adults is necessary to maintain quality of life and reduce mortality and morbidity. However, little is known regarding the social support needs of older adults with cancer. The objective of the current study was to examine social support needs, specifically the unmet needs, among older adults with cancer.MethodsMedicare beneficiaries (those aged ≥65 years) with cancer were identified from the University of Alabama at Birmingham Health System Cancer Community Network. Social support needs were assessed using a modified version of the Medical Outcomes Study Social Support Survey. The authors defined an “unmet need” if participants reported having some/a little/never availability of support and requiring support for that need.ResultsOf the 1460 participants in the current study, the average age was 74 years (standard deviation, 5.8 years). Approximately two‐thirds of participants (986 participants; 67.5%) reported having at least 1 social support need, with the highest needs noted in the emotional (49.5%) and physical (47.4%) support subdomains. Of those individuals with a support need, approximately 45% had at least 1 unmet need, with the greatest percentages noted in the medical (39%) and informational (36%) subdomains. Multivariable analyses demonstrated that participants who were nonwhite, were divorced or never married, or had a high symptom burden were at greatest risk of having unmet social support needs across subdomains.ConclusionsIn this population of older adults with cancer, the authors found high levels of unmet social support needs, particularly in the medical and informational support subdomains. Participants who were nonwhite, were divorced or never married, or had a high symptom burden were found to be at greatest risk of having unmet needs.
Improving transparency and scientific rigor in academic publishing
Authors: Prager Eric M. , Chambers Karen E. , Plotkin Joshua L. , McArthur David L. , Bandrowski Anita E. , Bansal Nidhi , Martone Maryann E. , Bergstrom Hadley C. , Bespalov Anton , Graf Chris 
Published: December 2018

AbstractProgress in basic and clinical research is slowed when researchers fail to provide a complete and accurate report of how a study was designed, executed, and the results analyzed. Publishing rigorous scientific research involves a full description of the methods, materials, procedures, and outcomes. Investigators may fail to provide a complete description of how their study was designed and executed because they may not know how to accurately report the information or the mechanisms are not in place to facilitate transparent reporting. Here, we provide an overview of how authors can write manuscripts in a transparent and thorough manner. We introduce a set of reporting criteria that can be used for publishing, including recommendations on reporting the experimental design and statistical approaches. We also discuss how to accurately visualize the results and provide recommendations for peer reviewers to enhance rigor and transparency. Incorporating transparency practices into research manuscripts will significantly improve the reproducibility of the results by independent laboratories.SignificanceFailure to replicate research findings often arises from errors in the experimental design and statistical approaches. By providing a full account of the experimental design, procedures, and statistical approaches, researchers can address the reproducibility crisis and improve the sustainability of research outcomes. In this piece, we discuss the key issues leading to irreproducibility and provide general approaches to improving transparency and rigor in reporting, which could assist in making research more reproducible.
Biomarkers of radiation‐induced vascular injury
Authors: Venkatesulu Bhanu Prasad , Sanders Keith L. , Hsieh Cheng‐En , Kim Byung Kyu , Krishnan Sunil 
Published: December 2018

AbstractObjectiveCancer survivorship has thrown the spotlight on the incidence of nonmalignant chronic diseases in cancer patients. Endothelial injury is increasingly recognized as a consequence of cancer treatment, particularly after radiation therapy (RT). This review is to provide a current understanding on the pathophysiological mechanisms and predictive biomarkers of radiation‐induced vascular injury.Recent findingsRadiation directly impacts vasculature by causing endothelial apoptosis and senescence, and alterations in normal homeostasis. This altered milieu at the endothelial surface may contribute to a systemic chronic inflammatory state that is superimposed upon the cascade of normal senescence processes leading to acceleration of age‐related disorders, atherosclerosis, and chronic fibrosis. Vasculature imaging, blood‐based or cell‐component biomarkers, and signatures of genomics, proteomics, metabolomics, and radiomics are potential tools for detection of vascular damage after irradiation.ConclusionsDevelopment of a valid prediction model by combining an array of imaging tools, blood‐based biomarkers, coupled with novel predictors like exosomes and metabolic degradation products can serve to identify RT‐induced vascular injury early for subsequent introduction of newer therapeutic approaches to counter radiation morbidity.
Enabling Docker for HPC
Authors: Sparks Jonathan 
Published: December 2018

SummaryDocker is quickly becoming the de facto standard for containerization. Besides running on all the major Linux distributions, Docker is supported by each of the major cloud platform providers. The Docker ecosystem provides the capabilities necessary to build, manage, and execute containers on any platform. High‐Performance Computer (HPC) systems present their own unique set of challenges to the standard deployment of Docker with respect to scale image storage, user security, and access to host‐level resources. This paper presents a set of Docker API plugins and features to address the HPC concerns of scaling, security, resource access, and execution in an HPC Environment.
An edge priority‐based clustering algorithm for multiprocessor environments
Authors: Maurya Ashish Kumar , Tripathi Anil Kumar 
Published: December 2018

SummaryIn multiprocessor environments, the scheduling algorithms play a significant role in maximizing system performance. In this paper, we propose a clustering‐based task scheduling algorithm called Edge Priority Scheduling (EPS) for multiprocessor environments. The proposed algorithm extends the idea of edge zeroing heuristic and uses the concept of edge priority to minimize the makespan of the task graph. The complexity of the EPS algorithm is O(|V||E|(|V| + |E|)), where |E| represents the number of edges and |V| denotes the number of nodes in the task graph. The experiments are performed for random task graphs and the task graphs generated from some representative real‐world applications such as Gaussian Elimination and Fast Fourier Transform. The performance of the EPS algorithm is compared with six well‐known algorithms such as EZ (Edge Zeroing), LC (Linear Clustering), CPPS (Cluster Pair Priority Scheduling), DCCL (Dynamic Computation Communication Load), RDCC (Randomized Dynamic Computation Communication), and LOCAL. The results show that the EPS algorithm outperforms the compared algorithms in terms of the normalized schedule length and speedup.
Singly, Doubly, and Triply Linked Corrole Oligomers: Synthesis, Structures, and Linking Position Dependent Properties
Authors: Ooi Shota , Ueta Kento , Tanaka Takayuki , Osuka Atsuhiro 
Published: December 2018

AbstractDirect covalent connections of porphyrinoids have been demonstrated as an effective way to expand their π‐electronic networks and perturb their optical and electrochemical properties. Covalent connections are also useful for studies on the precise electronic interaction between two porphyrinoid units. However, the chemistry of covalently linked corrole oligomers lags far behind that of the porphyrin counterparts in spite of the importance of corrole as a ring‐contracted porphyrinoid. The lower symmetry of corroles naturally leads to many possible corrole dimers, which have been found to display different optical and electrochemical properties depending on the linking position. In this review, we summarize the synthesis, structures, and properties of corrole oligomers such as singly linked oligomers and fused dimers as well as their metal complexes with a particular focus on their linking position dependent electronic properties.
Oral Chaperone Therapy Migalastat for Treating Fabry Disease: Enzymatic Response and Serum Biomarker Changes After 1 Year
Authors: Müntze Jonas , Gensler Daniel , Maniuc Octavian , Liu Dan , Cairns Tereza , Oder Daniel , Hu Kai , Lorenz Kristina , Frantz Stefan , Wanner Christoph , Nordbeck Peter 
Published: December 2018

Long‐term effects of migalastat therapy in clinical practice are currently unknown. We evaluated migalastat efficacy and biomarker changes in a prospective, single‐center study on 14 patients with Fabry disease (55 ± 14 years; 11 men). After 1 year of open‐label migalastat therapy, patients showed significant changes in alpha‐galactosidase‐A activity (0.06–0.2 nmol/minute/mg protein; P = 0.001), left ventricular myocardial mass index (137–130 g/m2; P = 0.037), and serum creatinine (0.94–1.0 mg/dL; P = 0.021), accounting for deterioration in estimated glomerular filtration rate (87–78 mL/minute/1.73 m2; P = 0.012). The enzymatic increase correlated with myocardial mass reduction (r = −0.546; P = 0.044) but not with renal function (r = −0.086; P = 0.770). Plasma globotriaosylsphingosine was reduced in therapy‐naive patients (10.9–6.0 ng/mL; P = 0.021) and stable (9.6–12.1 ng/mL; P = 0.607) in patients switched from prior enzyme‐replacement therapy. These first real‐world data show that migalastat substantially increases alpha‐galactosidase‐A activity, stabilizes related serum biomarkers, and improves cardiac integrity in male and female patients with amenable Fabry disease mutations.
Genetic Variants Associated With Vincristine‐Induced Peripheral Neuropathy in Two Populations of Children With Acute Lymphoblastic Leukemia
Authors: Li Lang , Sajdyk Tammy , Smith Ellen M. L. , Chang Chien Wei , Li Claire , Ho Richard H. , Hutchinson Raymond , Wells Elizabeth , Skiles Jodi L. , Winick Naomi , Martin Paul L. , Renbarger Jamie L. 
Published: December 2018

Vincristine is one of the core chemotherapy agents used in the treatment of pediatric acute lymphoblastic leukemia (ALL). However, one of the major toxicities resulting from vincristine exposure is vincristine‐induced peripheral neuropathy (VIPN). When VIPN results in significant morbidity, the vincristine dose may need to be reduced, thus potentially decreasing the effectiveness of treatment. To date, there are no robust biomarkers used clinically to determine which patients will be at risk for worse neuropathy. The current study included genomewide association study (GWAS) in two independent cohorts: Pediatric Oncology Group (POG) ALL trials and a multicenter study based at Indiana University in children with ALL. A meta‐analysis of the cohorts identified two single‐nucleotide polymorphisms (SNPs), rs1045644 and rs7963521, as being significantly (P value threshold 0.05/4749 = 1.05E‐05) associated with neuropathy. Subsequently these SNPs may be effective biomarkers of VIPN in children with ALL.
Self‐glycerophospholipids activate murine phospholipid‐reactive T cells and inhibit iNKT cell activation by competing with ligands for CD1d loading
Authors: Halder Ramesh Chandra , Tran Cynthia , Prasad Priti , Wang Jing , Nallapothula Dhiraj , Ishikawa Tatsuya , Wang Meiying , Zajonc Dirk M. , Singh Ram Raj 
Published: December 2018

AbstractGlycosphingolipids and glycerophospholipids bind CD1d. Glycosphingolipid‐reactive invariant NKT‐cells (iNKT) exhibit myriad immune effects, however, little is known about the functions of phospholipid‐reactive T cells (PLT). We report that the normal mouse immune repertoire contains αβ T cells, which recognize self‐glycerophospholipids such as phosphatidic acid (PA) in a CD1d‐restricted manner and don't cross‐react with iNKT‐cell ligands. PA bound to CD1d in the absence of lipid transfer proteins. Upon in vivo priming, PA induced an expansion and activation of T cells in Ag‐specific manner. Crystal structure of the CD1d:PA complex revealed that the ligand is centrally located in the CD1d‐binding groove opening for TCR recognition. Moreover, the increased flexibility of the two acyl chains in diacylglycerol ligands and a less stringent‐binding orientation for glycerophospholipids as compared with the bindings of glycosphingolipids may allow glycerophospholipids to readily occupy CD1d. Indeed, PA competed with α‐galactosylceramide to load onto CD1d, leading to reduced expression of CD1d:α‐galactosylceramide complexes on the surface of dendritic cells. Consistently, glycerophospholipids reduced iNKT‐cell proliferation, expansion, and cytokine production in vitro and in vivo. Such superior ability of self‐glycerophospholipids to compete with iNKT‐cell ligands to occupy CD1d may help maintain homeostasis between the diverse subsets of lipid‐reactive T cells, with important pathogenetic and therapeutic implications.
Improved Sorption‐Enhanced Steam Methane Reforming via Calcium Oxide–Based Sorbents with Targeted Morphology
Authors: Alshafei Faisal H. , Minardi Luke T. , Rosales Derrick , Chen Gen , Simonetti Dante A. 
Published: December 2018

Calcium oxide (CaO)‐based sorbents for sorption enhanced steam methane reforming (SE‐SMR) that achieve stoichiometric capacity are synthesized via thermal and electrospinning methods. Small CaO crystallites (39 nm) and macroporous intrafiber networks imparted by electrospinning lead to stoichiometric capacities () and uptake kinetics (first order rate constant, k = 8.9 × 10−4 ± 1.8 × 10−5 cm4 mol−1 s−1) at 873 K that are superior to CaO derived from thermal syntheses ( and k < 5.0 × 10−4 ± 2.5 × 10−6 cm4 mol−1 s−1). Al‐doped electrospun CaO samples (Al:Ca ratios of 3:10, 1:10 and 2:10) also exhibit high sorption capacities ( at 873 K) and are stable over multiple reaction‐regeneration cycles (<5% loss in initial capacity after 15+ cycles). X‐ray diffraction and scanning electron microscopy analysis reveal that thermally stable Al‐Ca mixed phases (Ca12Al14O33) mitigate crystallite agglomeration and maintain macroporous structures imparted by electrospinning. Nanofibers and Al‐doped nanofibers (Al:Ca ═ 2:10) exhibit more than a factor of three longer CO2 breakthrough time compared to CaO from marble (1650, 6400, and 7500 mL gsorbent−1 for CaO‐marble, 2Al‐10Ca‐O‐nanofibers, and CaO‐nanofibers respectively) under reforming conditions, with Al‐doped CaO‐nanofibers retaining 94% of their initial performance after ten reforming‐regeneration cycles, indicating their potential as improved sorbents for SE‐SMR processes.
Optimization of the enzyme‐assisted aqueous extraction of phenolic compounds from pistachio green hull
Authors: Ghandahari Yazdi Amir Pouya , Barzegar Mohsen , Sahari Mohammad Ali , Ahmadi Gavlighi Hassan 
Published: December 2018

AbstractPhenolic compounds form an essential part of the human diet because of their functional properties. In this study, the extraction conditions of phenolic compounds from pistachio green hull were optimized by enzymatic method (using pectinase, cellulase, and tannase enzymes). For this purpose, the effective factors including the solid to solvent ratio, enzyme concentration, particles size, and extraction time were optimized. Also, the effect of enzymatic extraction on the antioxidant activity of the extracts were investigated using three different methods (DPPH˙, ABTS˙+, and FRAP). The profile of phenolic compounds was determined using HPLC/DAD. The results showed that all the studied enzymes were significantly effective in increasing the extraction efficiency. The combination of cellulase, pectinase, and tannase enzymes under their optimal conditions increased the extraction yield up to 112% in comparison with the solvent extraction method. The results of three antioxidant tests showed that the antioxidant properties of the enzymatic extracted compounds increased significantly compared to the control sample (compounds extracted by the solvent method). The DPPH˙ test results indicated that the antioxidant property of the enzymatic extracted compounds was 71% more than the control extract. The different enzymes changed the phenolic compounds’ profile so that the pectinase and cellulase enzymes increased the amount of phloroglucinol (more than three times) and decreased the amount of gallic acid (more than 4.5 times) in comparison. In addition, tannase and its combination with other enzymes increased the gallic acid content by 2.6‐fold and 4.6‐fold compared to the control sample, respectively.