bluuebunny/crossref_metadata_2025_split huggingface dataset:
Cardiovascular Safety During Treatment With Baricitinib in Rheumatoid Arthritis
Authors: Taylor Peter C. , Weinblatt Michael E. , Burmester Gerd R. , Rooney Terence P. , Witt Sarah , Walls Chad D. , Issa Maher , Salinas Claudia A. , Saifan Chadi , Zhang Xin , Cardoso Anabela , González‐Gay Miguel A. , Takeuchi Tsutomu 
Published: January 2019

ObjectiveTo assess the frequency of cardiovascular and venous thromboembolic events in clinical studies of baricitinib, an oral, selective JAK1 and JAK2 inhibitor approved in more than 50 countries for the treatment of moderately‐to‐severely active rheumatoid arthritis (RA).MethodsData were pooled from 9 RA studies. Placebo comparison up to 24 weeks included data from 6 studies. Randomized dose comparison between baricitinib doses of 2 mg and 4 mg used data from 4 studies and from the associated long‐term extension study. The data analysis set designated “All‐bari‐RA” included all baricitinib exposures at any dose.ResultsOverall, 3,492 RA patients received baricitinib (7,860 patient‐years of exposure). No imbalance compared to the placebo group was seen in the incidence of major adverse cardiovascular events (MACE) (incidence rates [IRs] of 0.5 per 100 patient‐years for placebo and 0.8 per 100 patient‐years for 4 mg baricitinib), arterial thrombotic events (ATE) (IRs of 0.5 per 100 patient‐years for placebo and 0.5 per 100 patient‐years for 4 mg baricitinib), or congestive heart failure (CHF) broad term (IRs of 4.3 per 100 patient‐years for placebo and 2.4 per 100 patient‐years for 4 mg baricitinib). Deep vein thrombosis (DVT)/pulmonary embolism (PE) were reported in 0 of 1,070 patients treated with placebo and 6 of 997 patients treated with 4 mg baricitinib during the placebo‐controlled period; these events were serious in 2 of 6 patients, while all 6 had risk factors and 1 patient developed DVT/PE after discontinuation of the study drug. In the 2 mg–4 mg‐extended data analysis set, IRs of DVT/PE were comparable between the doses across event types (IRs of 0.5 per 100 patient‐years in those receiving 2 mg baricitinib and 0.6 per 100 patient‐years in those receiving 4 mg baricitinib). In the All‐bari‐RA data analysis set, the rates were stable over time, with an IR of DVT/PE of 0.5 per 100 patient‐years.ConclusionIn RA clinical trials, no association was found between baricitinib treatment and the incidence of MACE, ATE, or CHF. With regard to incidence of DVT/PE, 6 events occurred in patients treated with 4 mg baricitinib, but no cases of DVT/PE were reported in the placebo group. During longer‐term evaluation, the incidence of DVT/PE was similar between the baricitinib dose groups, with consistent IR values over time, and this was similar to the rates previously reported in patients with RA.
Investigating the Mechanism of Palladium‐Catalyzed Radical Oxidative C(sp3)−H Carbonylation: A DFT Study
Authors: Xiong Qin , Xu Dongdong , Shan Chunhui , Liu Song , Luo Yixin , Liu Fenru , Liu Shihan , Lan Yu , Bai Ruopeng 
Published: January 2019

AbstractPalladium (Pd)‐catalyzed radical oxidative C−H carbonylation of alkanes is a useful method for functionalizing hydrocarbons, but there is still a lack of understanding of the mechanism, which restricts the application of this reaction. In this work, density functional theory (DFT) calculations were carried out to study the mechanism for a Pd‐catalyzed radical esterification reaction. Two plausible reaction pathways have been proposed and validated by DFT calculations. The computational results reveal that the generated alkyl radical prefers to add to the carbon monoxide (CO) molecule to form a carbonyl radical before bonding with the Pd species. Radical addition onto Pd followed by CO migratory insertion was unfavorable owing to the high energy barrier of the migratory insertion step. The regioselectivity of the C(sp3)−H carbonylation was also investigated by DFT. The results show that the regioselectivity is controlled by both the bond dissociation energy of the reacting C−H bond and the stability of the corresponding generated carbon radical. Competitive side reactions also affected the yield and regioselectivity owing to the rapid consumption of the stable radical intermediate.
Third‐order sliding mode fault‐tolerant control for satellites based on iterative learning observer
Authors: Zhang Zhongzheng , Ye Dong , Xiao Bing , Sun Zhaowei 
Published: January 2019

AbstractThe attitude fault‐tolerant control problem for a satellite with reaction‐wheel failures, uncertainties, and unknown external disturbances is investigated in this paper. Firstly, an iterative learning observer (ILO) is proposed to achieve fault detection, isolation, and estimation. Secondly, based on the ILO, a third‐order sliding mode controller is proposed to stabilize the satellite attitude rapidly under unknown external disturbances and reaction‐wheel faults. Thirdly, the asymptotically stability of the ILO and the third‐order sliding mode controller is proved by using the Lyapunov stability theory. Finally, simulation results demonstrate that the proposed control scheme is more effective and feasible by comparing with other fault‐tolerant control approach.
Measuring child social communication across contexts: Similarities and differences across play and snack routines
Authors: Frost Kyle M. , Koehn Genna N. , Russell Kaylin M. , Ingersoll Brooke 
Published: January 2019

Improving measurement of outcomes in randomized controlled trials of early interventions for autism spectrum disorder (ASD) has been identified as a priority in the field. In addition, the importance of measurement across contexts has been indicated by researchers and community stakeholders alike [Lord et al., ; McConachie et al., ; Schreibman et al., ]. The Brief Observation of Social Communication Change (BOSCC; Grzadzinski et al., ), an observational rating scheme of brief play interactions, was developed to address a need for measures that are reliable, sensitive to change, and valid for use in research settings. The goal of this study was to examine the feasibility and utility of applying the BOSCC to a new context: a home snack routine. Results suggest that rating the BOSCC on home snack routines is feasible and psychometrically sound, and captures change in child social communication behaviors. However, the utility of the BOSCC for measuring restricted and repetitive behaviors (RRBs) is less clear. Nonetheless, differences in RRBs across play and snack lend support for the claim that measurement across contexts is essential. Application of the BOSCC across contexts may allow researchers to obtain a more accurate estimate of intervention response and help capture context‐specific changes in social communication. It may also provide a method for researchers to evaluate the effect of context on child social communication more broadly. Autism Res 2019, 12: 636–644. © 2019 International Society for Autism Research, Wiley Periodicals, Inc.Lay SummaryImproving measurement of outcomes in studies of early interventions for autism spectrum disorder (ASD) has been identified as a priority in the field. The importance of measurement across contexts has also been indicated by researchers and community stakeholders. The goal of this study was to determine whether an existing observational rating scheme, the Brief Observation of Social Communication Change (BOSCC), could be applied to a new activity: a home snack routine. Results suggest that rating the BOSCC on home snack routines is feasible and promising for capturing change over time. In addition, some child behaviors differed across play and snack, lending further support for the claim that measurement across activities is essential.
Insight on mutation‐induced resistance to anaplastic lymphoma kinase inhibitor ceritinib from molecular dynamics simulations
Authors: He Mu‐Yang , Li Wei‐Kang , Meiler Jens , Zheng Qing‐Chuan , Zhang Hong‐Xing 
Published: January 2019

AbstractCeritinib, an advanced anaplastic lymphoma kinase (ALK) next‐generation inhibitor, has been proved excellent antitumor activity in the treatment of ALK‐associated cancers. However, the accumulation of acquired resistance mutations compromise the therapeutic efficacy of ceritinib. Despite abundant mutagenesis data, the structural determinants for reduced ceritinib binding in mutants remains elusive. Focusing on the G1123S and F1174C mutations, we applied molecular dynamics (MD) simulations to study possible reasons for drug resistance caused by these mutations. The MD simulations predict that the studied mutations allosterically impact the configurations of the ATP‐binding pocket. An important hydrophobic cluster is identified that connects P‐loop and the αC‐helix, which has effects on stabilizing the conformation of ATP‐binding pocket. It is suggested, in this study, that the G1123S and F1174C mutations can induce the conformational change of P‐loop thereby causing the reduced ceritinib affinity and causing drug resistance.
Analysis of membrane transport mechanisms of endogenous substrates using chromatographic techniques
Authors: Yamaguchi Hiroaki , Mano Nariyasu 
Published: January 2019

AbstractMembrane transporters are expressed in various bodily tissues and play essential roles in the homeostasis of endogenous substances and the absortion, distribution and/or excretion of xenobiotics. For transporter assays, radioisotope‐labeled compounds have been mainly used. However, commercially available radioisotope‐labeled compounds are limited in number and relatively expensive. Chromatographic analyses such as high‐performance liquid chromatography with ultraviolet absorptiometry and liquid chromatography with tandem mass spectrometry have also been applied for transport assays. To elucidate the transport properties of endogenous substrates, although there is no difficulty in performing assays using radioisotope‐labeled probes, the endogenous background and the metabolism of the compound after its translocation across cell membranes must be considered when the intact compound is assayed. In this review, the current state of knowledge about the transport of endogenous substrates via membrane transporters as determined by chromatographic techniques is summarized. Chromatographic techniques have contributed to our understanding of the transport of endogenous substances including amino acids, catecholamines, bile acids, prostanoids and uremic toxins via membrane transporters.
Sustainable development in Vietnam: An examination of consumers' perceptions of green products
Authors: Nguyen Thuy‐Phuong , Dekhili Sihem 
Published: January 2019

AbstractClimate change has led to the rise of a sustainable development area characterized by the consumers' consideration of social and environmental issues. The existing literature on responsible consumption has essentially explored the context of western countries; however, little information is given around the consumer behavior towards green products in developing countries. This study enriches this literature by exploring the context of Vietnam that was heavily affected by climate changes. More precisely, the authors aim to explore the content of green products from the consumers' point of view, as well as their motivations and barriers to consume eco‐friendly products. A qualitative study conducted with 29 Vietnamese respondents showed that consumers associate green products to five dimensions: environment, health, quality, price, and animal welfare. They express essentially egoistic motivations related to health and product's quality. In addition, the main barriers to purchase green products identified in the study correspond to the lack of information and confidence towards green claims, sellers, and certifications.
Building adaptive capacity: Reducing the climate vulnerability of smallholder farmers in Zimbabwe
Authors: Mashizha Tinashe Mitchell 
Published: January 2019

AbstractClimate change is affecting agricultural production, particularly in Africa, where agriculture forms the backbone of rural economies. Smallholder farmers in rural areas are vulnerable to the effects of climate change due to their marginalised location, low levels of technology, and reliance on rain‐fed agriculture. This conceptual paper finds that adaptation is cross cutting in nature and complex. Hence, it requires an approach that incorporates both policy and investment issues into its planning. This research not only contributes to literature on adaptation strategies but will also provide relevant insight for capacity building on smallholder farmers to avert the ongoing and future climate crisis. Furthermore, it contributes to hitherto limited work on understanding how adaptive capacity is shaped and be sustainable in Zimbabwe. This paper recommends that the government and private sector should disseminate technology that helps farmers adapt to climate change and access to irrigation technology must be a priority.
Effect of the ZIF‐8 Distribution in Mixed‐Matrix Membranes Based on Matrimid® 5218‐PEG on CO2 Separation
Authors: Castro-Muñoz Roberto , Fíla Vlastimil 
Published: January 2019

AbstractIn theory, the combination of inorganic materials and polymers may provide a synergistic performance for mixed‐matrix membranes (MMMs); however, the filler dispersion into the MMMs is a crucial technical parameter for obtaining compelling MMMs. The effect of the filler distribution on the gas separation performance of the MMMs based on Matrimid®‐PEG 200 and ZIF‐8 nanoparticles is demonstrated. The MMMs were prepared by two different membrane preparation procedures, namely, the traditional method and non‐dried metal‐organic framework (MOF) method. In CO2/CH4 binary mixtures, the MMMs were tested under fixed conditions and characterized by various methods. Finally, regardless of the MMM preparation procedure, the incorporation of 30 wt % ZIF‐8 nanoparticles allowed to increase the CO2 permeability in MMMs. The ZIF‐8 dispersion influenced significantly the separation factor.
Size Matters: From Two‐Dimensional AuI–TlI Metallopolymers to Molecular Complexes by Simple Variation of the Steric Demand
Authors: Seifert Tim P. , Knoefel Nicolai D. , Feuerstein Thomas J. , Reiter Kevin , Lebedkin Sergei , Gamer Michael T. , Boukis Andreas C. , Weigend Florian , Kappes Manfred M. , Roesky Peter W. 
Published: January 2019

AbstractBis(acetylido) aurates(I) and thallium(I) trifluoromethylsulfonates were used to synthesize AuI–TlI metallopolymers, displaying novel and unusual structural motifs of the metal–metal backbones in the solid state: a discrete molecular cluster, 1D chains of interconnected dimers, tetramers, or dodecamers of Au–Tl units, and a 2D‐plane network, consisting of alternating edge‐linked (AuTl)6 and (AuTl)4 cycles. The formation of the different architectures was primarily controlled by the steric demand of the acetylide‐substituent groups. Thus, the bulkiest 2,6‐diisopropylphenyl derivative yielded a molecular cluster [Tl2Au3]. Most compounds showed bright visible photoluminescence with quantum yields of up to 25 % at ambient temperature. The color of the emitted light significantly differs with the network structure. Furthermore, theoretical studies of singlet excitations in the molecular cluster, as well as NMR and mass‐spectrometric investigations of the fragmentation of the metallopolymers in solution are described in detail.
CFD Investigation of Non‐Condensable Gases in Vacuum and Non‐Vacuum Steam Sterilizers
Authors: Feurhuber Manuel , Magno Marino , Miranda Marco , Prieler René , Hochenauer Christoph 
Published: January 2019

AbstractSteam sterilization processes rely on high heat transfer rates from the steam to the medical devices. To guarantee this, all non‐condensable gases (NCGs) must be removed from the steam sterilizer before sterilization. The ratios and distribution of the NCGs in the pre‐sterilization phases of both a vacuum and a non‐vacuum steam sterilizer are investigated. Two CFD models for simulation of the NCGs in the sterilizers were developed and validated by the measurements of a pressure sensor and eight thermocouples inside the steam sterilizer. Furthermore, a novel method was developed to calculate the real ratio of NCGs based on the standard measurement (EN 13060). The results show that the NCGs ratio defined in the EN 13060 did not accurately represent the real ratios of the NCGs.
Discovery of Sustainable Drugs for Neglected Tropical Diseases: Cashew Nut Shell Liquid (CNSL)‐Based Hybrids Target Mitochondrial Function and ATP Production in Trypanosoma brucei
Authors: Cerone Michela , Uliassi Elisa , Prati Federica , Ebiloma Godwin U. , Lemgruber Leandro , Bergamini Christian , Watson David G. , de A. M. Ferreira Thais , Roth Cardoso Gabriella Simões Heyn , Soares Romeiro Luiz A. , de Koning Harry P. , Bolognesi Maria Laura 
Published: January 2019

AbstractIn the search for effective and sustainable drugs for human African trypanosomiasis (HAT), we developed hybrid compounds by merging the structural features of quinone 4 (2‐phenoxynaphthalene‐1,4‐dione) with those of phenolic constituents from cashew nut shell liquid (CNSL). CNSL is a waste product from cashew nut processing factories, with great potential as a source of drug precursors. The synthesized compounds were tested against Trypanosoma brucei brucei, including three multidrug‐resistant strains, T. congolense, and a human cell line. The most potent activity was found against T. b. brucei, the causative agent of HAT. Shorter‐chain derivatives 20 (2‐(3‐(8‐hydroxyoctyl)phenoxy)‐5‐methoxynaphthalene‐1,4‐dione) and 22 (5‐hydroxy‐2‐(3‐(8‐hydroxyoctyl)phenoxy)naphthalene‐1,4‐dione) were more active than 4, displaying rapid micromolar trypanocidal activity, and no human cytotoxicity. Preliminary studies probing their mode of action on trypanosomes showed ATP depletion, followed by mitochondrial membrane depolarization and mitochondrion ultrastructural damage. This was accompanied by reactive oxygen species production. We envisage that such compounds, obtained from a renewable and inexpensive material, might be promising bio‐based sustainable hits for anti‐trypanosomatid drug discovery.
Medical financial hardship among cancer survivors in the United States
Authors: Zheng Zhiyuan , Jemal Ahmedin , Han Xuesong , Guy Gery P. , Li Chunyu , Davidoff Amy J. , Banegas Matthew P. , Ekwueme Donatus U. , Yabroff K. Robin 
Published: January 2019

AbstractBackgroundThe current study examined medical financial hardship in cancer survivors and those without a cancer history in the United States.MethodsThe 2013 to 2016 National Health Interview Survey was used to identify cancer survivors (stratified by ages 18‐49 years [1424 survivors], ages 50‐64 years [2916 survivors], and ages ≥65 years [6014 survivors]) and individuals without a cancer history (ages 18‐64 years [66,951 individuals], ages 50‐64 years [31,741 individuals], and ages ≥65 years [25,744 individuals]). Medical financial hardship was categorized into 3 domains: 1) material (eg, problems paying medical bills); 2) psychological (eg, worrying about paying medical bills); and 3) behavioral (eg, delaying/forgoing care due to cost). Generalized ordinal logistic regressions were used to examine the associations between cancer history, hardship, and health insurance deductibles/health savings accounts (among privately insured cancer survivors aged 18‐64 years only).ResultsCompared with those without a cancer history, cancer survivors were more likely to report any material (ages 18‐49 years: 43.4% vs 30.1%; ages 50‐64 years: 32.8% vs 27.8%; and ages ≥65 years: 17.3% vs 14.7%), psychological (ages 18‐49 years: 53.5% vs 47.1%), and behavioral (ages 18‐49 years: 30.6% vs 21.8%; and ages 50‐64 years: 27.2% vs 23.4%) measure of financial hardship, and multiple domains of hardship (age groups 18‐49 years and 50‐64 years; all P < .01). Among privately insured survivors, having a high‐deductible health plan without a health savings account was found to be associated with greater hardship compared with having low‐deductible insurance.ConclusionsYounger cancer survivors are particularly vulnerable to material, psychological, and behavioral medical financial hardship. Interventions designed to reduce financial hardship should consider multiple domains of hardship as well as insurance benefit design.
A modified hybrid whale optimization algorithm for the scheduling problem in multimedia data objects
Authors: Abdel‐Basset Mohamed , El‐Shahat Doaa , El‐henawy Ibrahim 
Published: January 2019

SummaryThe scheduling of the Multimedia Data Objects (MDO) is a difficult and extraordinary issue that faces us in the World Wide Web (WWW) to minimize the response time for clients to finish rapidly their tasks. MDO scheduling problem can be modeled as a Two‐Machine Flow Shop Scheduling Problem (T‐MFSSP) that minimizes the makespan. Notwithstanding another objective is to decrease the average lateness time of the clients' jobs. This paper proposes a Modified Hybrid Whale Algorithm (MHWA) to solve a standout among the most imperative applications of flow shop scheduling in the field of MDO. MHWA is hybridized with a local search strategy for solving the scheduling problem of MDO. To cope up with the combinatorial nature of the MDO scheduling, LRV maps the continuous search space into a sequence of jobs. To get better solutions, some operations are applied to the solutions such as swap mutation and reversed block insertion operations. Nawaz‐Enscore‐Ham (NEH) is added to MHWA to upgrade the performance of the algorithm. The solution of Johnson heuristic is added to the initial population of MHWA. It can be inferred that MHWA gives competitive outcomes appeared differently in relation to Johnson and Earliest Due Date (EDD) algorithms. MHWA can obtain the optimal makespan and can minimize the average lateness of the jobs.
Characterization of H2‐Splitting Products of Frustrated Lewis Pairs: Benefit of Fast Magic‐Angle Spinning
Authors: Malär Alexander A. , Dong Shunxi , Kehr Gerald , Erker Gerhard , Meier Beat H. , Wiegand Thomas 
Published: January 2019

AbstractProton spectroscopy in solid‐state NMR on catalytic materials offers new opportunities in structural characterization, in particular of reaction products of catalytic reactions such as hydrogenation reactions. Unfortunately, the 1H NMR line widths in magic‐angle spinning solid‐state spectra are often broadened by an incomplete averaging of 1H‐1H dipolar couplings. We herein discuss two model compounds, namely the H2‐splitting products of two phosphane‐borane Frustrated Lewis Pairs (FLPs), to study potentials and limitations of proton solid‐state NMR experiments employing magic‐angle spinning frequencies larger than 100 kHz at a static magnetic field strength of 20.0 T. The 1H lines are homogeneously broadened as illustrated by spin‐echo decay experiments. We study two structurally similar materials which however show significant differences in 1H line widths which we explain by differences in their 1H‐1H dipolar networks. We discuss the benefit of fast MAS experiments up to 110 kHz to detect the resonances of the H+/H− pair in the hydrogenation products of FLPs.