bluuebunny/crossref_metadata_2025_split huggingface dataset:
Modeling of integrated processes for the recovery of the energetic content of sugar cane bagasse
Authors: Adeniyi Adewale G. , Ighalo Joshua O. , Abdulsalam Abdulmaliq 
Published: April 2019

AbstractSugar cane bagasse is an agro‐based residue that is a very good feedstock for energy recovery processes. The aim of this study was to use ASPEN Plus v8.8 to develop thermodynamic simulation models for energy‐recovery from sugar cane bagasse and to predict product yield and composition based on the inherent characteristics of the feedstock and other process factors. Two simulation flowsheets were developed for energy recovery from sugar cane bagasse: one for a pyrolysis process and the other for a combined pyrolysis‐steam reforming process. The simulation predictions revealed a very good yield of bio‐oil (63.4%) from sugar cane bagasse. The oil was composed of hydrocarbons of different lengths, aromatic compounds, and pyrolytic water (8.1%). For the pyrolysis steam‐reforming simulation, the optimal conditions were a temperature range of 600–700°C, pressure of 1 atm, and steam‐to‐feed ratio (STFR) of 10 kg kg−1. Factor interactions were examined from response surface plots. A theoretical model for the prediction of hydrogen yield was also developed by regression, with a good R2 value. Analysis of variance (ANOVA) results revealed that the model was significant but pressure was not a significant factor in the steam reforming process. © 2019 Society of Chemical Industry and John Wiley & Sons, Ltd
Mechanistic study of absorption and first‐pass metabolism of GL‐V9, a derivative of wogonin
Authors: Xing Han , Ren Chang , Kong Ying , Ning Chen , Kong Dexuan , Zhang Yongjie , Zhao Di , Li Ning , Wang Zeyu , Chen Xijing , Lu Yang 
Published: April 2019

AbstractGL‐V9, a derivative of wogonin, has potent anti‐cancer activity. The absorption and metabolism of this compound have not been investigated systematically. This study aims to illustrate the pharmacokinetic characters of GL‐V9 by exploring its metabolic status under different administration routes. To further clarify the absorption mechanism of GL‐V9, an in situ single‐pass perfusion model and a Caco‐2 cell monolayer model were used. Meanwhile, a microsomal incubation system was used to evaluate the enzyme kinetic parameters. In vivo, the obtained gastrointestinal availability (Fa × Fg) was 21.28 ± 5.38%. The unmetabolized fraction in the gut wall (Fgut wall) was 98.59 ± 9.74%, while the hepatic bioavailability (Fh) was 29.11 ± 5.22%. These results indicated that poor absorption and extensive metabolism may contribute greatly to the low bioavailability of GL‐V9. The effective permeability (Peff) in the duodenum and jejunum was 1.34 ± 0.50 × 10−4 and 0.90 ± 0.27 × 10−4 cm/s, respectively. The high permeability of GL‐V9 indicated that other unknown factors (such as metabolism) may account for its systemic exposure problem. Studies in rat liver microsomal (RLMs) confirmed this hypothesis, and the Clint, CYP450s and UGT of GL‐V9 was 0.20 ml/min/mg protein. In conclusion, these results suggest that GL‐V9 possesses higher permeability than wogonin and the metabolism of GL‐V9 is related to its disposition in rat intestine and liver.
Determination of terbinafine in human plasma using UPLC–MS/MS: Application to a bioequivalence study in healthy subjects
Authors: Bhadoriya Abhaysingh , Shah Priyanka A. , Shrivastav Pranav S. , Bharwad Kirtikumar D. , Singhal Puran 
Published: April 2019

AbstractA high‐throughput and sensitive ultra‐performance liquid chromatography–tandem mass spectrometry (UPLC–MS/MS) method has been developed for the determination of terbinafine in human plasma. The method employed liquid–liquid extraction of terbinafine and terbinafine‐d7 (used as internal standard) from 100 μL human plasma with ethyl acetate–n‐hexane (80:20, v/v) solvent mixture. Chromatography was performed on a BEH C18 (50 × 2.1 mm, 1.7 μm) column using acetonitrile–8.0 mm ammonium formate, pH 3.5 (85:15, v/v) under isocratic elution. For quantitative analysis, MS/MS ion transitions were monitored at m/z 292.2/141.1 and m/z 299.1/148.2 for terbinafine and terbinafine‐d7, respectively, using electrospray ionization in the positive mode. The method was validated according to regulatory guidance for selectivity, sensitivity, linearity, recovery, matrix effect, stability, dilution reliability and ruggedness with acceptable accuracy and precision. The method shows good linearity over the tested concentration range from 1.00 to 2000 ng/mL (r2 ≥ 0.9984). The intra‐batch and inter‐batch precision (CV) was 1.8–3.2 and 2.1–4.5%, respectively. The method was successfully applied to a bioequivalence study with 250 mg terbinafine in 32 healthy subjects. The major advantage of this method includes higher sensitivity, small plasma volume for processing and a short analysis time.
Associated factors for cognitive impairment in the rural highly elderly
Authors: Kim Hyeyun , Lee Sujin , Ku Bon D. , Ham Su Geun , Park Woong‐Sub 
Published: April 2019

AbstractBackgroundAmong the symptoms commonly faced by an increasingly aged population, dementia, preceded by cognitive impairment, most threatens their quality of life. Dementia is a well‐recognized burden, not only for individuals who face the disease and for their families, but also for entire nation.AimsThe purpose of this study was to identify associated factors for cognitive impairment in a very elderly population via a screening study design in Sokcho, a rural area in South Korea.MethodsTrained nurses screened patients from 75–84 years of age for dementia using the Mini‐Mental State Examination for Dementia Screening (MMSE‐DS) and conducted interviews to determine their socioeconomic status, education level, and living conditions (i.e., with or without family).ResultsIn total, 4,369 subjects (1,646 males, 2,723 females) were enrolled in this study. Reported MMSE‐DS scores decreased with increasing age and to a greater degree in less educated subjects (p < 0.001). Subjects requiring medical assistance or living alone exhibited lower MMSE‐DS scores compared to those who did not require medical assistance or who lived alone (p < 0.001).ConclusionWe found that less education, lower socioeconomic status, and living alone were associated factors for cognitive impairment based on this study of an elderly population.
Environmental sustainability orientation and performance of family and nonfamily firms
Authors: Adomako Samuel , Amankwah‐Amoah Joseph , Danso Albert , Konadu Renata , Owusu‐Agyei Samuel 
Published: April 2019

AbstractDespite the growing research evidence on the effect of environmental sustainability orientation (ESO) on firm outcomes, contingent factors that may influence the strength of this relationship have received little scholarly attention. In this study, we use insights from the literature on ESO and family business to introduce family status and firm age as moderators in the ESO‐performance linkage. Using time‐lagged data from 253 small and medium‐sized enterprises in Ghana, we found the impact of ESO on firm performance is amplified for nonfamily firms but not significant for family firms. Our evidence suggests it is stronger among older firms than younger ones. Implications and directions for future research are discussed.
The sexist algorithm
Authors: Hamilton Melissa 
Published: April 2019

AbstractAlgorithmic risk assessment tools are informed by scientific research concerning which factors are predictive of recidivism and thus support the evidence‐based practice movement in criminal justice. Automated assessments of individualized risk (low, medium, high) permit officials to make more effective management decisions. Computer‐generated algorithms appear to be objective and neutral. But are these algorithms actually fair? The focus herein is on gender equity. Studies confirm that women typically have far lower recidivism rates than men. This differential raises the question of how well algorithmic outcomes fare in terms of predictive parity by gender.This essay reports original research using a large dataset of offenders who were scored on the popular risk assessment tool COMPAS. Findings indicate that COMPAS performs reasonably well at discriminating between recidivists and non‐recidivists for men and women. Nonetheless, COMPAS algorithmic outcomes systemically overclassify women in higher risk groupings. Multiple measures of algorithmic equity and predictive accuracy are provided to support the conclusion that this algorithm is sexist.
Identification of competitive endogenous RNAs network in breast cancer
Authors: Wang Xiaojin , Wan Jiahui , Xu Zhanxiang , Jiang Shijun , Ji Lin , Liu Yutian , Zhai Shuwen , Cui Rongjun 
Published: April 2019

AbstractBackgroundMiRNAs can regulate gene expression directly or indirectly, and long noncoding RNAs as competing endogenous RNA (ceRNAs) can bind to miRNAs competitively and affect mRNA expression. The ceRNA network is still unclear in breast cancer. In this study, a ceRNA network was constructed, and new treatment and prognosis targets and biomarkers for breast cancer were explored.MethodsA total of 1 096 cancer tissues and 112 adjacent normal tissues to cancer from the TCGA database were used to screen out significant differentially expressed mRNAs (DEMs), lncRNAs (DELs), and miRNAs (DEMis) to construct a ceRNA network. Gene ontology (GO) and Kyoto Encyclopedia of Genes and Genomes (KEGG) pathway enrichment analysis were used to predict potential functions. Survival analysis was performed to predict which functions were significant for prognosis.ResultsFrom the analysis, 2 139 DEMs, 1 059 DELs, and 84 DEMis were obtained. Targeting predictions for DEMis‐DELs and DEMis‐DEMs can yield 26 DEMs, 90 DELs, and 18 DEMis. We performed GO enrichment analysis, and the results showed that the upregulated DEMs were involved in nucleosomes, extracellular regions, and nucleosome assembly, while the downregulated DEMs were mainly involved in Z disk, muscle contraction, and structural constituents of muscle. KEGG pathway analysis was performed on all DEMs, and the pathways were enriched in retinol metabolism, steroid hormone biosynthesis, and tyrosine metabolism. Through survival analysis of the ceRNA network, we identified four DEMs, two DELs, and two DEMis that were significant for poor prognosis.ConclusionsThis study suggested that constructing a ceRNA network and performing survival analysis on the network could screen out new significant treatment and prognosis targets and biomarkers.
Sesquiterpenoid Compounds from Curcuma kwangsiensis
Authors: Liao Hai‐Bing , Feng Wu‐Ying , Wang Heng‐Shan , Liang Dong 
Published: April 2019

AbstractTwo previously undescribed guaiane‐type sesquiterpenes (1 and 2), a pair of new salvialane‐type sesquiterpenes (3a and 3b), together with 11 known compounds were isolated and purified from the rhizomes of Curcuma kwangsiensis. Their structures were elucidated by the extensive spectroscopic data (1D‐ and 2D‐NMR) analysis. All the isolated compounds were assessed for their anti‐neuroinflammatory activity by inhibiting the nitric oxide (NO) production in lipopolysaccharide (LPS)‐activated murine BV‐2 microglial cells in vitro assay, and the isolates 3 and 11 showed anti‐neuroinflammatory activity with IC50 values of 1.85 and 20.05 μm, respectively.
An Investigation into the Charge‐Storage Mechanism of MnO@Graphite as Anode for Lithium‐Ion Batteries at Low Temperature
Authors: Tian Xiaodong , Du Li , Yan Yurong , Wu Songping 
Published: April 2019

AbstractElectrochemical features and the charge‐storage mechanism of monodispersed MnO nanoparticles anchored on graphite (MnO@Graphite) for Li‐ion batteries have been investigated at a low‐temperature of −25 °C. MnO@Graphite nanocomposite rendered a remarkable reversible capacity of 456 mA h g−1 after 320 cycles under a current density of 100 mA g−1 at such a low temperature. Remarkable reversible capacity could be ascribed to the integrated structure, emergence of in‐situ formed MnO2 and hybrid pseudocapacitance. Hybrid pseudocapacitive contributions have appeared at low operational temperature, i. e., assembled heterogeneous intercalation pseudocapacitance at low potentials and surface‐controlled pseudocapacitance at high potentials. The results showed that the prepared MnO@Graphite nanocomposite is a promising candidate for Li‐ion batteries operated in harsh environment.
Atomically Defined Monocarborane Copper(I) Acetylides with Structural and Luminescence Properties Tuned by Ligand Sterics
Authors: Zhang Kang , Shen Yunjun , Yang Xiaoli , Liu Jiyong , Jiang Tao , Finney Nathaniel , Spingler Bernhard , Duttwyler Simon 
Published: April 2019

AbstractThe weakly coordinating cluster [CB11H12]− is used as a versatile building block for the preparation of luminescent copper(I) complexes. Treatment of [CB11H11‐12‐C≡CH]− with CuI and ammonia affords {(CB11H11‐12‐C≡C)2Cu4(NH3)3}n (2). Addition of selected phosphine and pyridine ligands transforms 2 to a range of homometallic products 3–13. All compounds have been characterized by X‐ray crystallography, which reveals a surprising variety of structural complexity featuring cores with two to ten Cu+ centers. In the solid state, products 3–13 exhibit room‐temperature phosphorescence across the visible spectrum in colors from blue to deep red. Lifetimes at room temperature are in the microsecond regime, and quantum yields of up to Φ=0.99 are observed.
Highly Substituted Δ3‐1,2,3‐Triazolines: Solid‐State Emitters with Electrofluorochromic Behavior
Authors: Suleymanov Abdusalom A. , Ruggi Albert , Planes Ophélie Marie , Chauvin Anne‐Sophie , Scopelliti Rosario , Fadaei Tirani Farzaneh , Sienkiewicz Andrzej , Fabrizio Alberto , Corminboeuf Clémence , Severin Kay 
Published: April 2019

AbstractHighly substituted Δ3‐1,2,3‐triazolines can be prepared by reaction of triarylvinyl Grignard reagents with functionalized organic azides. The heterocycles are fluorescent in the solid state, and—depending on the substituents—they can display aggregation‐induced emission. Upon oxidation, the triazolines form stable radical cations with altered photophysical properties. Therefore, they represent rare examples of solid‐state emitters with intrinsic electrofluorochromic behavior.
Directed Iridium‐Catalyzed Hydrogen Isotope Exchange Reactions of Phenylacetic Acid Esters and Amides
Authors: Valero Mégane , Becker Daniel , Jess Kristof , Weck Remo , Atzrodt Jens , Bannenberg Thomas , Derdau Volker , Tamm Matthias 
Published: April 2019

AbstractFor the first time, a catalytic protocol for a highly selective hydrogen isotope exchange (HIE) of phenylacetic acid esters and amides under very mild reaction conditions is reported. Using a homogeneous iridium catalyst supported by a bidentate phosphine‐imidazolin‐2‐imine P,N ligand, the HIE reaction on a series of phenylacetic acid derivatives proceeds with high yields, high selectivity, and with deuterium incorporation up to 99 %. The method is fully adaptable to the specific requirements of tritium chemistry, and its effectiveness was demonstrated by direct tritium labeling of the fungicide benalaxyl and the drug camylofine. Further insights into the mechanism of the HIE reaction with catalyst 1 have been provided utilizing DFT calculations, NMR studies, and X‐ray diffraction analysis.
Mutation of chromatin regulators and focal hotspot alterations characterize human papillomavirus–positive oropharyngeal squamous cell carcinoma
Authors: Haft Sunny , Ren Shuling , Xu Guorong , Mark Adam , Fisch Kathleen , Guo Theresa W. , Khan Zubair , Pang John , Ando Mizuo , Liu Chao , Sakai Akihiro , Fukusumi Takahito , Califano Joseph A. 
Published: April 2019

BackgroundHuman papillomavirus (HPV)–associated oropharyngeal cancer is a disease clinically and biologically distinct from smoking‐related head and neck squamous cell carcinoma (HNSCC). Despite its rapidly increasing incidence, the mutational landscape of HPV+ oropharyngeal squamous cell carcinoma (OPSCC) remains understudied.MethodsThis article presents the first mutational analysis of the 46 HPV+ OPSCC tumors within the newly expanded cohort of 530 HNSCC tumors from The Cancer Genome Atlas. A separate exome sequencing analysis was also performed for 46 HPV+ OPSCCs matched to their normal lymphocyte controls from the Johns Hopkins University cohort.ResultsThere was a strikingly high 33% frequency of mutations within genes associated with chromatin regulation, including mutations in lysine methyltransferase 2C (KMT2C), lysine methyltransferase 2D (KMT2D), nuclear receptor binding SET domain protein 1 (NSD1), CREB binding protein (CREBBP), E1A‐associated protein p300 (EP300), and CCCTC‐binding factor (CTCF). In addition, the commonly altered genes phosphatidylinositol‐4,5‐bisphosphate 3‐kinase catalytic subunit α (PIK3CA) and fibroblast growth factor receptor 3 (FGFR3) showed distinct domain‐specific hotspot mutations in comparison with their HPV– counterparts. PIK3CA showed a uniquely high rate of mutations within the helicase domain, and FGFR3 contained a predominance of hotspot S249C alterations that were not found in HPV– HNSCC.ConclusionsThis analysis represents one of the largest studies to date of HPV+ OPSCC and lends novel insight into the genetic landscape of this biologically distinct disease, including a high rate of mutations in histone‐ and chromatin‐modifying genes, which may offer novel therapeutic targets.
Assessment of Azeliragon QTc Liability Through Integrated, Model‐Based Concentration QTc Analysis
Authors: Burstein Aaron H. , Brantley Scott J. , Dunn Imogene , Altstiel Larry D. , Schmith Virginia 
Published: April 2019

AbstractAzeliragon is an inhibitor of the receptor for advanced glycation end products being developed for the treatment of Alzheimer's disease. The objective of the current analysis was to evaluate the relationship between plasma azeliragon concentrations and QT interval. Simultaneous QT values and plasma concentrations were available from 711 subjects (6236 records), pooled from 5 studies in healthy volunteers, 2 studies in patients with mild to moderate Alzheimer's disease, and 1 study in patients with type 2 diabetes and persistent albuminuria. Nonlinear mixed‐effects modeling was conducted to describe azeliragon concentration‐related changes in QT interval, after correcting for heart rate, using Fridericia's criteria (QTcF) and sex‐related differences in baseline QTcF. Azeliragon‐related changes in QTcF were predicted using 2 methods: simulation and bias‐corrected 90% confidence interval approaches. A small positive relationship between azeliragon plasma concentration and QTcF was noted with a slope of 0.059 ms/ng/mL. Simulations predicted mean (90% prediction interval) changes in QTcF of 0.733 milliseconds (0.32‐1.66 milliseconds) with the phase 3 dose (5 mg once daily steady state) and 4.32 milliseconds (1.7‐8.74 milliseconds) at supratherapeutic doses (20 mg once daily steady state or 60 mg once daily × 6 days). Bias‐corrected upper 90% confidence intervals for therapeutic and supratherapeutic doses were 0.88 and 5.01 milliseconds, respectively. Model‐based analysis showed a small, nonclinically meaningful, positive relationship between azeliragon plasma concentration and QTcF with a slope close to zero. Neither the prediction interval nor the upper bound of the 90% confidence interval reached 10 milliseconds, demonstrating no clinically meaningful drug‐related effect on QTcF at expected therapeutic and supratherapeutic doses of azeliragon.
Discrimination of 1‐ and 2‐Propanol by Using the Transient Current Change of a Semiconducting ZnFe2O4 Chemiresistor
Authors: Mukherjee Kalisadhan , Ekuma Chinedu E. , Zhao Yangyang , Maikap Abhishek , Najmaei Sina , Zaghloul Mona E. 
Published: April 2019

AbstractA semiconducting metal oxide (SMO) chemiresistor (ZnFe2O4) is used for discriminating two isomeric volatile organic compounds (VOCs), namely 1‐ and 2‐propanol. The transient current of the SMO chemiresistor is correlated with the aerobic oxidation of organic vapors on its surface. The changes in transient current of the ZnFe2O4 chemiresistor are measured at different temperatures (260–320 °C) for detecting equal concentrations (200 ppm) of the two structural isomers of propanol. The transient current of ZnFe2O4 reflects a faster oxidation of 2‐propanol than 1‐propanol on the surface. First‐principles calculations and kinetic studies on the interaction of 1‐ and 2‐propanol over ZnFe2O4 provide further insight in support of the experimental evidence. The calculations predict more spontaneous adsorption of 2‐propanol on the (111) surface of ZnFe2O4 than 1‐propanol. Kinetic parameters for the oxidation of isomeric vapors are estimated by modelling the transient current of ZnFe2O4 using the Langmuir‐Hinshelwood reaction mechanism. The faster oxidation of 2‐propanol and comparatively lower activation energy for the respective process over ZnFe2O4 is justified in accordance to the chemical structures of vapors. The findings have strong implications in exploring a new technique for discriminating isomeric VOCs, which is significant for environmental monitoring and medical applications.
Social and ecological factors alter stress physiology of Virunga mountain gorillas (Gorilla beringei beringei)
Authors: Eckardt Winnie , Stoinski Tara S. , Rosenbaum Stacy , Santymire Rachel 
Published: April 2019

AbstractLiving in a rapidly changing environment can alter stress physiology at the population level, with negative impacts on health, reproductive rates, and mortality that may ultimately result in species decline. Small, isolated animal populations where genetic diversity is low are at particular risks, such as endangered Virunga mountain gorillas (Gorilla beringei beringei). Along with climate change‐associated environmental shifts that are affecting the entire population, subpopulations of the Virunga gorillas have recently experienced extreme changes in their social environment. As the growing population moves closer to the forest's carrying capacity, the gorillas are coping with rising population density, increased frequencies of interactions between social units, and changing habitat use (e.g., more overlapping home ranges and routine ranging at higher elevations). Using noninvasive monitoring of fecal glucocorticoid metabolites (FGM) on 115 habituated Virunga gorillas, we investigated how social and ecological variation are related to baseline FGM levels, to better understand the adaptive capacity of mountain gorillas and monitor potential physiological indicators of population decline risks. Generalized linear mixed models revealed elevated mean monthly baseline FGM levels in months with higher rainfall and higher mean maximum and minimum temperature, suggesting that Virunga gorillas might be sensitive to predicted warming and rainfall trends involving longer, warmer dry seasons and more concentrated and extreme rainfall occurrences. Exclusive use of smaller home range areas was linked to elevated baseline FGM levels, which may reflect reduced feeding efficiency and increased travel efforts to actively avoid neighboring groups. The potential for additive effects of stress‐inducing factors could have short‐ and long‐term impacts on the reproduction, health, and ultimately survival of the Virunga gorilla population. The ongoing effects of environmental changes and population dynamics must be closely monitored and used to develop effective long‐term conservation strategies that can help address these risk factors.