bluuebunny/crossref_metadata_2025_split huggingface dataset:
No Association of Discontinuing Tumor Necrosis Factor Inhibitors Before Gestational Week Twenty in Well‐Controlled Rheumatoid Arthritis and Juvenile Idiopathic Arthritis With a Disease Worsening in Late Pregnancy
Authors: Förger Frauke , Bandoli Gretchen , Luo Yunjun , Robinson Loan , Johnson Diana L. , Chambers Christina D. 
Published: January 2019

ObjectiveTo investigate whether the discontinuation of tumor necrosis factor inhibitors (TNFi) during pregnancy is associated with any changes of the disease course in women with rheumatoid arthritis (RA) and juvenile idiopathic arthritis (JIA).MethodsPregnant women with RA and JIA from the US and Canada were enrolled in the Organization of Teratology Information Specialists (OTIS) Autoimmune Diseases in Pregnancy Project, a prospective cohort study. Information about medication and disease activity (patient‐reported outcome measures) was collected prior to gestational week 20 and at gestational week 32. Associations between patterns of TNFi continuation or discontinuation and disease activity changes were tested in unadjusted and multivariate analyses.ResultsAmong 490 women (397 with RA, 93 with JIA) enrolled between 2005 and 2017, 122 (24.9%) discontinued a TNFi before gestational week 20, 201 (41.0%) received a TNFi beyond week 20, and 167 (34.1%) did not receive a TNFi during pregnancy. At the time of enrollment, disease activity was low to minimal in 72.9% of women. TNFi discontinuation was not associated with a clinically important worsening of patient reported outcome measures at the third trimester. Univariate but not multivariate analysis showed that women receiving TNFi beyond week 20 were more likely to experience improved disease activity scores at the third trimester.ConclusionDiscontinuing TNFi before gestational week 20 seems feasible in women with RA and JIA who enter pregnancy with well‐controlled disease.
Characterisation of N‐(Octadecyl)‐1,8‐naphthalimide Monolayer Compression Using Molecular Dynamics and Experimental Approaches
Authors: Welsh Ivan D. , Draper Daria , Kim Jaehwan , Kitchen Jonathan A. , Allison Jane R. 
Published: January 2019

AbstractThe development of luminescent surfaces is an active area of supramolecular chemistry, particularly for the development of new sensing platforms. One particularly useful surface deposition method is the Langmuir–Blodgett technique where organic amphiphilic fluorophores (e.g. 1,8‐naphthalimides) can form ordered monolayers at an air–water interface before being deposited onto solid supports. The ability to simulate monolayer formation and consequently develop predictability over film formation would allow for significant advances in the luminescent materials field where synthesis might be directed by simulation data. Here, we compare pressure‐area isotherms of N‐(octadecyl)‐1,8‐naphthalimide determined experimentally, using the Langmuir–Blodgett technique, and computationally, using three different simulation techniques. We find that all three simulation techniques are able to describe the liquid‐condensed/liquid‐expanded region of the isotherm, and that the isotherms are highly similar in this region, although the NγT ensemble performs best. Experimental isotherms showed film formation properties that align with the simulation data, suggesting that simulations are a viable means to direct synthesis. Investigation of the underlying structural details disclosed by the simulations reveals the compression‐induced ordering at atomic‐level detail, which will allow prediction of how functionalisation of the naphthalimides will alter the monolayer compression and mounting process.
An undergraduate laboratory experience using CRISPR‐cas9 technology to deactivate green fluorescent protein expression in Escherichia coli
Authors: Pieczynski Jay N. , Deets Amber , McDuffee Alexis , Lynn Kee H. 
Published: January 2019

AbstractUndergraduates learn that gene editing in diverse organisms is now possible. How targeted manipulation of genes and genomes is utilized in basic science and biomedicine to address biological questions is challenging for undergraduates to conceptualize. Thus, we developed a lab experience that would allow students to be actively engaged in the full process of design, implementation of a gene editing strategy, and interpretation of results within an 8‐week lab period of a Genetics course. The laboratory experience combines two transformative biotechnology tools; the utilization of green fluorescent protein (GFP) as a diagnostic marker of gene expression and the fundamentals and specificity of Clustered Regularly Interspaced Short Palindromic Repeats‐cas9 (CRISPR‐cas9) gene editing in bacterial cells. The students designed and constructed plasmids that express single guide RNA targeted to GFP, expressed the sgRNA and cas9 in bacteria cells, and successfully deactivated GFP gene expression in the bacterial cells with their designed CRISPR‐cas9 tools. Student assessment revealed most students achieved student learning objectives. We conclude this lab experience is an effective and accessible method for engaging students in the scientific practices, knowledge and challenges revolving targeted CRISPR‐cas9 gene manipulation. © 2019 International Union of Biochemistry and Molecular Biology, 47(2): 145–155, 2019.
An improved ultra‐high‐performance liquid chromatography–tandem mass spectrometric method for the quantitation of dexmedetomidine in small volume of pediatric plasma
Authors: Moorthy Ganesh S. , Vedar Christina , Moorthy Ahila S. , Prodell Janice L. , Zuppa Athena F. 
Published: January 2019

AbstractDexmedetomidine (Dex), a highly selective α2‐adrenergic agonist, is used primarily for the sedation and anxiolysis of adults and children in the intensive care setting. A sensitive and selective assay for Dex in pediatric plasma was developed by employing ultra‐high‐performance liquid chromatography–tandem mass spectrometry with d4‐Dex as an internal standard. Dex was extracted from 0.1 mL of plasma by micro‐elution solid‐phase extraction. Separation was achieved with a Waters XBridge C18 column with a flow rate of 0.3 mL/min using a mobile phase comprising 5 mm ammonium acetate buffer with 0.03% formic acid in water and methanol–acetonitrile (50:50, v/v). The intra‐day precision (coefficient of variation) and accuracy for quality control samples ranged from 1.32 to 8.91% and from 92.8 to 108%, respectively. The inter‐day precision and accuracy ranged from 2.13 to 8.45% and from 97.0 to 104%, respectively. The analytical method showed excellent sensitivity using a small sample volume (0.1 mL) with a lower limit of quantitation of 5 pg/mL. This method is robust and has been successfully employed in a pharmacokinetic study of Dex in neonates and infants postoperative from cardiac surgery.
Quantitative analysis of enasidenib in dried blood spots of mouse blood using an increased‐sensitivity LC–MS/MS method: Application to a pharmacokinetic study
Authors: Dittakavi Sreekanth , Jat Rakesh Kumar , Mullangi Ramesh 
Published: January 2019

AbstractA simple, sensitive and rapid assay method has been developed and validated as per regulatory guidelines for the estimation of enasidenib on mouse dried blood spots (DBS) using liquid chromatography coupled to tandem mass spectrometry with electrospray ionization in the positive‐ion mode. The method employs liquid extraction of enasidenib from DBS disks of mouse whole blood followed by chromatographic separation using 0.2% formic acid–acetonitrile (25:75, v/v) at a flow rate of 1.0 mL/min on an Atlantis dC18 column with a total run time of 2.0 min. The MS/MS ion transitions monitored were m/z 474.0 → 267.1 for enasidenib and m/z 309.2 → 251.3 for the internal standard (warfarin). The assay was linear in the range of 1.01–3044 ng/mL. The within‐run and between‐run precisions were in the range of 3.18–9.06 and 4.66–8.69%, respectively. Stability studies showed that enasidenib was stable on DBS cards for 1 month. This novel method has been applied to analyze the DBS samples of enasidenib obtained from a pharmacokinetic study in mice.
Microbial transformation of ambrisentan to its glycosides by Cunninghamella elegans
Authors: Sponchiado Rafaela , Sorrentino Julia Medeiros , Olegário Natália , Oliveira Sendy Sales , Cordenonsi Leticia Malgarim , Silveira Gustavo Pozza , Fuentefria Alexandre M. , Mendez Andreas S. L. , Steppe Martin , Garcia Cássia V. 
Published: January 2019

AbstractThe purpose of this paper is to describe the glycosylation of ambrisentan (AMB) by cultures of Cunninghamella elegans ATCC 9245. AMB is an endothelin receptor antagonist, which is used to treat pulmonary arterial hypertension. Filamentous fungi are morphologically complex and may exhibit different forms depending on the species and the nature of the culture medium. A biotransformation study was conducted to investigate the ability of C. elegans to metabolize AMB. Parameters were optimized by testing on different culture media and concentrations, pH, drug concentration, static and shaking conditions. Ambrisentan's metabolite, obtained after 240 h of incubation as a result of glycosylation pathway, was separated by HPLC and determined by high‐resolution mass spectrometry. The method showed linearity over 300–1000 μg mL−1 (r = 0.998). Accuracy, precision, robustness and stability studies agree with international guidelines. Results are consistent in accordance with the principles of green chemistry as the experimental conditions had a low environmental impact, and used little solvent.
Board structures, liberal countries, and developed market economies. Do they matter in environmental reporting? An international outlook
Authors: Pucheta‐Martínez María Consuelo , Gallego‐Álvarez Isabel , Bel‐Oms Inmaculada 
Published: January 2019

AbstractPrevious empirical evidence has shown the effect of most corporate governance mechanisms on corporate social responsibility and environmental disclosure. However, there is scant empirical evidence that examines the influence of liberal countries, developed market economies, and board structures on environmental disclosure. Thus, this research aims to explore how liberal and developed countries and board structures affect environmental reporting. We hypothesise a linear and positive association between companies located in countries with liberal and developed market economies and environmental reporting. Moreover, we hypothesise that one‐tier board structures negatively affect environmental disclosure. Focusing on 13,100 companies domiciled in 39 different countries from 2005 to 2015, it is established that those companies located in liberal and developed economies are more likely to disclose environmental information, whereas one‐tier boards have a negative effect.
Fabrication of Tubular g‐C3N4 with N‐Defects and Extended π‐Conjugated System for Promoted Photocatalytic Hydrogen Production
Authors: Shan Xin , Ge Guifang , Zhao Zhongkui 
Published: January 2019

AbstractSemiconductor photocatalytic hydrogen evolution from water splitting using solar energy is one of the most potential strategies for settling the energy crisis, but a bottleneck is occurred in developing a highly efficient photocatalyst. Herein, we successfully fabricated a tubular g‐C3N4 with nitrogen defects (including both nitrogen vacancies and cyano groups) and extended π‐conjugated system, wherein the nitrogen defects and extended π‐conjugated system were conveniently introduced during thermal polymerization of the pyridinium alkaline ionic liquid‐modified hydrogen‐bonding melamine‐cyanuric acid supramolecular (PHMCS) pre‐aggregates towards carbon nitride with hexagonal cylinder morphology formed by the pyridinium alkaline ionic liquid‐assisted hydrothermal process of low‐cost melamine, in which the added trace pyridinium alkaline ionic liquid serves as an all‐rounder with three roles including the promoting agent towards the transformation of melamine to cyanuric acid for constructing PHMCS, nitrogen defects making agent, and the electronic‐tuning agent regarding of the as‐formed carbon nitride. The tubular structure enhances the light scattering and improves the accessibility of active sites. Meanwhile, the high charge transfer efficiency, broad optical absorption region, and suitable energy band positions are related to both the introduction of nitrogen defects by alkali of ionic liquid and the extended π‐electron delocalization in the conjunction carbon nitride networks. As a consequence, the resulted carbon nitride using optimized amount of pyridinium alkaline ionic liquid (AIL‐2.0‐CN) photocatalyst exhibited a high hydrogen evolution rate of 1284 μmol h−1 g−1 (λ>420 nm) with an apparent quantum efficiency of 4.2 % at 420 nm, which is 13.6 times higher than that of bulk g‐C3N4 (B−CN), and even 3.5 folds much higher than the one (SHPY−CN) prepared by the similar process to that for AIL‐2.0‐CN except for the replacement of pyridinium alkaline ionic liquid by a mixture containing a corresponding amount of pyridine and sodium hydroxide, suggesting the promoting effect resulting from the unique characteristic of pyridinium alkaline ionic liquid. Based on the unique physicochemical properties and the molecules‐ adjustability, the developed alkaline ionic liquid assisted strategy can open an avenue for designing and preparing excellent g‐C3N4 based photocatalysts with tunable geometric and electronic structures for solar hydrogen production.
Rapid Models for Predicting the Low‐Temperature Behavior of Diesel
Authors: Vráblík Aleš , Velvarská Romana , Štěpánek Kamil , Pšenička Martin , Hidalgo José Miguel , Černý Radek 
Published: January 2019

AbstractThe cold filtration plugging point (CFPP) is the method most commonly applied to characterize the low‐temperature behavior of diesel and its components. However, this method is time‐consuming and does not have good repeatability, especially for samples with very low CFPP values like kerosene, light cycle oil, etc. Three new models for CFPP prediction were developed and compared: a combined density and distillation curve, differential scanning calorimetry, and near‐infrared. A set of 133 samples of diesel components were used to create the models, containing streams from different sources and levels of treatment. A further 28 diesel samples were used to validate and compare the models. All three models not only were faster than the standard method but also were found to be in good agreement with CFPP values. Each model has its own particular advantages suiting it to a particular type of diesel sample and stage of the diesel production process.
Life Cycle of Wash Oil for Benzol Absorption from Coke Oven Gas
Authors: Večeř Marek , Koutník Ivan , Wichterle Kamil 
Published: January 2019

AbstractAn important source of benzol is coke oven gas, which is a by‐product of metallurgical coke production. A cycle of absorption into the washing oil and reverse desorption is a crucial step in this technology. The wash oil itself is a complex mixture of hydrocarbons with higher boiling point. Its washing property is changing during time of use. The concentration of unabsorbed benzene in the coke oven gas leaving the absorption is monitored as an indicator of the washing oil condition. A secondary parameter is the viscosity of the washing oil. The optimal operating conditions of the absorption unit of benzol and the ranges of physical properties, which mainly influence the benzol absorption, were identified. Beside the increasing absorption efficiency, it is significant to prolong the life cycle of wash oil.
Enantiomeric assay of escitalopramS(+)‐enantiomer and its “in‐process impurities” using two different techniques
Authors: Soliman Suzan Mahmoud 
Published: January 2019

AbstractThe enantiomeric purity of escitalopram oxalate ESC and its “in‐process impurities,” namely, ESC‐N‐oxide, ESC‐citadiol, andR(−)‐enantiomer were studied in drug substance and products using high‐performance liquid chromatography (HPLC)‐UV (Method I), synchronous fluorescence spectroscopy (SFS) (Method IIA), and first derivative SFS (Method IIB). Method I describes as an isocratic HPLC‐UV for the direct resolution and determination of enantiomeric purity of ESC and its “in‐process impurities.” The proposed method involved the use of αl‐acid glycoprotein (AGP) chiral stationary phase. The regression plots revealed good linear relationships of concentration range of 0.25 to 100 and 0.25 to 10 μg mL−1for ESC and its impurities. The limits of detection and quantifications for ESC were 0.075 and 0.235 μg mL−1, respectively. Method II involves the significant enhancement of the fluorescence intensities of ESC and its impurities through inclusion complexes formation with hydroxyl propyl‐β‐cyclodextrin as a chiral selector in Micliavain buffer. Method IIA describes SFS technique for assay of ESC at 225 nm in presence of its impurities:R(−)‐enantiomer, citadiol, and N‐oxide at ∆λ of 100 nm. This method was extended to (Method IIB) to apply first derivative SFS for the simultaneous determination of ESC at 236 nm and its impurities: theR(−)‐enantiomer, citadiol, and N‐oxide at 308, 275, and 280 nm, respectively. Linearity ranges were found to be 0.01 to 1.0 μg mL−1for ESC and its impurities with lower detection and quantification limits of 0.033/0.011 and 0.038/0.013 μg mL−1for SFS and first derivative synchronous fluorescence spectra (FDSFS), respectively. The methods were used to investigate the enantiomeric purity of escitalopram.
A Simple Way for Implementing Extraction Columns of Infinite Height in Flowsheet Simulators
Authors: Kaul Martin , Hasse Hans , Burger Jakob 
Published: January 2019

AbstractA surrogate model to implement an extraction column of infinite height in process simulation software is presented. The model consists of three decanters and a few specifications which are easy to implement in commercial process simulators. Using the model, the minimum solvent flow rate and the limiting product compositions are determined. In an example, the surrogate model for the extraction column is combined with standard unit operation models for describing an extraction process with a distillative solvent recycle.
MS‐Based Screening of 5‐Substituted Nipecotic Acid Derived Hydrazone Libraries as Ligands of the GABA Transporter 1
Authors: Hauke Tobias J. , Höfner Georg , Wanner Klaus T. 
Published: January 2019

AbstractA screening of compound libraries based on nipecotic acid derivatives with lipophilic residues attached to the scarcely explored 5‐position of the core structure was used for the search of new inhibitors of the γ‐aminobutyric acid (GABA) transporter 1 (mGAT1). The generated compound libraries, which were based on hydrazone chemistry commonly used in dynamic combinatorial chemistry but rendered pseudostatic, were screened for their binding affinities toward mGAT1 by means of MS Binding Assays. With nipecotic acid derived hydrazone rac‐16 h [rac‐(3R,5S)‐{5‐[(E)‐2‐{[5‐(2‐phenylethynyl)thiophen‐2‐yl]methylidene}hydrazin‐1‐yl]piperidine‐3‐carboxylic acid}‐sodium chloride (1/2)], one hit was found and evaluated displaying sub‐micromolar potency (pKi=6.62±0.04) and a noncompetitive interaction mode at mGAT1. By bearing a 5‐(2‐phenylethynyl)thiophen‐2‐yl residue attached to the 5‐position of nipecotic acid via a three‐atom spacer, compound rac‐16 h contains a structural moiety so far unprecedented for these kinds of bioactive molecules, and complements novel 5‐substituted nipecotic acid derived ligands of mGAT1 revealed in a recently published screening campaign. This new class of ligands, with an inhibition mode distinct from that of benchmark mGAT1 inhibitors, could serve as research tools for investigations of mGAT1‐mediated GABA transport.
Magnetic Recovery of Cellulase from Cellulose Substrates with Bare Iron Oxide Nanoparticles
Authors: Schnell Florian , Kube Massimo , Berensmeier Sonja , Schwaminger Sebastian P. 
Published: January 2019

AbstractCellulase is an enzyme used to hydrolyze a wide range of cellulose based materials and thus facilitates the production of glucose. In order to provide a greener chemistry, cellulase has been immobilized on magnetic nanoparticles, which allow for simple magnetic separation and recovery. The nanoparticles have been characterized thoroughly and the binding parameters of cellulase on the magnetic iron oxides were investigated. The so produced nano‐biocatalysts were subjected to enzymatic tests in different temperature and pH media. Reusability and influence of the storage time was also examined. The stability of the enzyme increased by immobilization to the particles compared to free cellulase. We were able to recover immobilized cellulase from the degraded substrate in the milliliter with a handmagnet as well as in the liter scale with a high gradient magnetic separator. The continuous process for the degradation of cellulose and the recovery of the nano‐biocatalysts paves the way for industrial applications.
Research on improved text classification method based on combined weighted model
Authors: Wang Yongchang , Zhu Ligu 
Published: January 2019

SummaryText classification is very important in information retrieval, but the traditional text classification model has many problems, such as the feature dimension disaster, the lack of semantic features, etc. Aiming at the problems, this paper proposes an improved TFIDF model combined with the Word2vec model for weighing word vectors. In view of the inability of the Word2vec model to distinguish the importance of words with the text, TFIDF is further introduced to weighing Word2vec word vectors to achieve a weighted Word2vec classification model. For data preprocessing, we optimized the traditional StringToWordVector algorithm. The main improvement of StringToWordVector is the introduction to a new algorithm of stem extraction. First, this paper gives a simple description of the basic steps and algorithms of traditional text classification, and then, the ideas and steps of the improved StringToWordVector algorithm are proposed. Finally, experimental results using our improved algorithm are tested for four different data sets (WEBO_SINA and three standard UCI data sets). The experimental results show that the improved StringToWordVector algorithm combined with the combined weighted model has higher classification accuracy, recall, and F1 values than the traditional text classification model only using the Word2vec model or using TFIDF. The experimental results are satisfactory.
Efficient Photodegradation of Organic Pollutants By Using a Bi2CuO4/BiPO4 Heterojunction Photocatalyst
Authors: Praveen Athma E , Samanta Tuhin , Ganguli Sagar , Mahalingam Venkataramanan 
Published: January 2019

AbstractPhotocatalysis is the most promising and cheap route for water purification. In this work, we demonstrate the degradation of organic pollutants, such as picric acid and methylene blue, by an efficient, reusable Bi2CuO4/BiPO4 heterojunction photocatalyst. The Bi2CuO4/BiPO4 heterojunction was fabricated using a solvothermal method followed by sonication. The Bi2CuO4/BiPO4 heterojunction shows enhanced photocatalytic degradation of picric acid and methylene blue dye under ultraviolet‐visible (UV/Vis) light compared to its individual constituents as well as compared to the previously reported Bi2CuO4‐based photocatalyst. The high photocatalytic activity of the Bi2CuO4/BiPO4 heterojunction can be attributed to the enhanced separation efficiency of the photogenerated electron and hole pairs. The photocatalytic activity of the Bi2CuO4 nanostructures, which is generally weak due to faster recombination of the electron and hole, is enhanced by means of heterojunction formation with BiPO4 nanocrystals. Interestingly, the hydroxyl radical, which was found to be the primary active species, is not generated at the valence band due to thermodynamic constraints. In contrast, experiments carried out under controlled conditions unequivocally confirm that their generation is related to oxygen reduction at the conduction band.