bluuebunny/crossref_metadata_2025_split huggingface dataset:
Molecular simulation of CH4 adsorption behavior in slit nanopores: Verification of simulation methods and models
Authors: Cao Jinrong , Liang Yunfeng , Masuda Yoshihiro , Koga Hiroaki , Tanaka Hiroyuki , Tamura Kohei , Takagi Sunao , Matsuoka Toshifumi 
Published: July 2019

AbstractThe aim of this study is to select an appropriate method for CH4 adsorption in organic nanopores for shale‐gas development. Molecular dynamics (MD) and grand canonical Monte Carlo (GCMC) simulations were performed. Three comparison studies were included: (i) comparison of the adsorption behavior in kerogen nanopores using different schemes for dispersion correction, (ii) comparison of the adsorption behavior in graphite nanopores using MD and GCMC simulations, and (iii) comparison of the adsorption behavior in kerogen and graphite nanopores using MD simulations. The result was reliable when using a particle‐mesh Ewald scheme or a cut‐off ≥1.5 nm without dispersion correction. The simulation results were essentially identical for the MD and GCMC simulations. The free‐gas CH4 density inside the nanopores started to deviate from the bulk density at ~2 nm for the graphite model and at ~7–10 nm for the kerogen model, whereas the total CH4 density deviates from the bulk density at ~20 nm.
Machine‐learning‐based predictive control of nonlinear processes. Part II: Computational implementation
Authors: Wu Zhe , Tran Anh , Rincon David , Christofides Panagiotis D. 
Published: July 2019

AbstractMachine learning is receiving more attention in classical engineering fields, and in particular, recurrent neural networks (RNNs) coupled with ensemble regression tools have demonstrated the capability of modeling nonlinear dynamic processes. In Part I of this two‐article series, the Lyapunov‐based model predictive control (LMPC) method using a single RNN model and an ensemble of RNN models, respectively, was rigorously developed for a general class of nonlinear systems. In the present article, computational implementation issues of this new control method ranging from training of the RNN models, ensemble regression of the RNN models, and parallel computation for accelerating the real‐time model calculations are addressed. Furthermore, a chemical reactor example is used to demonstrate the implementation and effectiveness of these machine‐learning tools in LMPC as well as compare them with standard state‐space model identification tools.
Microwave‐Assisted Ruthenium(II)‐Catalyzed C−H/N−O Activation of N‐Methoxybenzamides with Alkynylsulfane
Authors: Sarathkumar Sundaramoorthi , Kavala Veerababurao , Yao Ching‐Fa 
Published: July 2019

AbstractAn annulation of phenyl(phenylethynyl)sulfane and N‐methoxybenzamides through ruthenium C−H/N−O activation is reported. A wide variety of 4‐aryl‐3‐(aryl/alkylthio)isoquinolin‐1(2H)‐one derivatives are obtained in moderate to good yields.
Cesium carbonate‐catalyzed indium insertion into alkyl iodides and their synthetic utilities in cross‐coupling reactions
Authors: Feng Xue‐Xin , Wu Zhen , Wang Qing‐Dong , Chen Bing‐Zhi , Rao Weidong , Yang Jin‐Ming , Shen Zhi‐Liang 
Published: July 2019

A catalytic amount of cesium carbonate (10 mol%) was found to be capable of effectively catalyzing the insertion of indium powder into alkyl iodides. The thus‐generated alkyl indium reagents could readily undergo palladium‐catalyzed cross‐coupling reactions with a wide variety of aryl halides, showing compatibility to a range of important functional groups.
Effect of anaerobic pretreatment on vinegar residue for enhancement of syngas and phenols derived from pyrolysis
Authors: Liu Peng , Wang Yue , Zhou Zhengzhong , Yuan Haoran , Zheng Tao 
Published: July 2019

AbstractAnaerobic digestion (AD) was applied as the pretreatment method to enhance the pyrolysis effect of vinegar residue (VR) in this study. Pyrolysis experiments were carried out in a fixed bed reactor. The functional groups of VR and AD‐treated VR (AVR) were quantitatively determined by Fourier‐transform infrared spectrometer (FTIR) using curve‐fitting method, prior to the in situ pyrolysis analysis using a thermogravimeter–gas chromatography–mass spectrometry (TG‐GC‐MS). The results show that AD was enhancing syngas and phenols to promote the pyrolysis effect of VR. AD process decomposed the hemicelluloses in VR, as indicated by the peak area decrease from 6.21% to 1.88% at 985 cm−1 assigned to glycosidic linkage in hemicellulose. The initial pyrolysis temperature (Ti) increased from 272°C to 300°C after AD, whereas the maximum weight loss rate temperature (Tm) decreased from 359°C to 349°C due to the ether linkage area percentage assigned in 1,035 cm−1 from cellulose increasing from 10.34% to 22.37% in AVR. The terminal pyrolysis temperature of AVR is lower than that of VR due to increment of lignin content and aromatic structure in AVR. The gas yield increases from 35.93% to 43.14% from AVR pyrolysis, and tar yield decreases by 24%. The formation of CO during pyrolysis was accelerated, whereas the hydrogen gas production increased significantly during pyrolysis after AD. The lignin‐derived phenols in tar increase from 20.67% to 42.16%, which is consistent with the analysis of TG‐GC‐MS.
High Prevalence and Disease Correlation of Autoantibodies Against p40 Encoded by Long Interspersed Nuclear Elements in Systemic Lupus Erythematosus
Authors: Carter Victoria , LaCava John , Taylor Martin S. , Liang Shu Ying , Mustelin Cecilia , Ukadike Kennedy C. , Bengtsson Anders , Lood Christian , Mustelin Tomas 
Published: July 2019

ObjectiveLong interspersed nuclear element 1 (LINE‐1) encodes 2 proteins, the RNA binding protein p40 and endonuclease and reverse transcriptase (open‐reading frame 2p [ORF2p]), which are both required for LINE‐1 to retrotranspose. In cells expressing LINE‐1, these proteins assemble with LINE‐1 RNA and additional RNA binding proteins, some of which are well‐known autoantigens in patients with systemic lupus erythematosus (SLE). This study was undertaken to investigate whether SLE patients also produce autoantibodies against LINE‐1 p40.MethodsHighly purified p40 protein was used to quantitate IgG autoantibodies in serum from 172 SLE patients and from disease controls and age‐matched healthy subjects by immunoblotting and enzyme‐linked immunosorbent assay (ELISA). Preparations of p40 that also contained associated proteins were analyzed by immunoblotting with patient sera.ResultsAntibodies reactive with p40 were detected in the majority of patients and many healthy controls. Their levels were higher in patients with SLE, but not those with systemic sclerosis, compared to healthy subjects (P = 0.01). Anti‐p40 reactivity was higher in patients during a flare than in patients with disease in remission (P = 0.03); correlated with the SLE Disease Activity Index score (P = 0.0002), type I interferon score (P = 0.006), decrease in complement C3 level (P = 0.0001), the presence of anti‐DNA antibodies (P < 0.0001) and anti‐C1q antibodies (P = 0.004), and current or past history of nephritis (P = 0.02 and P = 0.003, respectively); and correlated inversely with age (r = −0.49, P < 0.0001). SLE patient sera also reacted with p40‐associated proteins.ConclusionAutoantibodies reacting with LINE‐1 p40 characterize a population of SLE patients with severe and active disease. These autoantibodies may represent an early immune response against LINE‐1 p40 that does not yet by itself imply clinically significant autoimmunity, but may represent an early, and still reversible, step toward SLE pathogenesis.
Robust Mittag‐Leffler stabilisation of fractional‐order systems
Authors: Muñoz‐Vázquez Aldo Jonathan , Parra‐Vega Vicente , Sánchez‐Orta Anand , Martínez‐Reyes Fernando 
Published: July 2019

AbstractDynamic models approximate physical phenomena to certain extent and ideal controllers are proposed. Nevertheless, when system specifications crave for better performance, additional robust controllers are considered. In this sense, a robust controller is proposed in this paper, which accounts for a general class of fractional‐order systems, in order to compensate for matched and mismatched disturbances. The Mittag‐Leffler stability of the solution of the closed‐loop system is demonstrated for a class of fractional‐order systems subject to non‐smooth effects and control feedback. Numerical simulations are conducted to highlight the reliability of the proposed scheme.
The role of epigenetic changes in preeclampsia
Authors: Kamrani Amin , Alipourfard Iraj , Ahmadi‐Khiavi Homayoon , Yousefi Mehdi , Rostamzadeh Davood , Izadi Morteza , Ahmadi Majid 
Published: July 2019

AbstractPreeclampsia (PE) is a disorder affecting 2–10% of pregnancies and has a major role for perinatal and maternal mortality and morbidity. PE can be occurred by initiation of new hypertension combined with proteinuria after 20 weeks gestation, as well as various reasons such as inflammatory cytokines, poor trophoblast invasion can be related with PE disease. Environmental factors can cause epigenetic changes including DNA methylation, microRNAs (miRNAs), and histone modification that may be related to different diseases such as PE. Abnormal DNA methylation during placentation is the most important epigenetic factor correlated with PE. Moreover, changes in histone modification like acetylation and also the effect of overregulation or low regulation of miRNAs or long noncoding RNAs on variety signaling pathways can be resulted in PE. The aim of this review is to describe of studies about epigenetic changes in PE and its therapeutic strategies.
Mitochondrial targets of metformin—Are they physiologically relevant?
Authors: Pecinová Alena , Brázdová Andrea , Drahota Zdeněk , Houštěk Josef , Mráček Tomáš 
Published: July 2019

AbstractMetformin is the most widely prescribed treatment of hyperglycemia and type II diabetes since 1970s. During the last 15 years, its popularity increased due to epidemiological evidence, that metformin administration reduces incidence of cancer. However, despite the ongoing effort of many researchers, the molecular mechanisms underlying antihyperglycemic or antineoplastic action of metformin remain elusive. Most frequently, metformin is associated with modulation of mitochondrial metabolism leading to lowering of blood glucose or activation of antitumorigenic pathways. Here we review the reported effects of metformin on mitochondrial metabolism and their potential relevance as effective molecular targets with beneficial therapeutic outcome.
Development and validation of a simple method for the extraction and quantification of crisaborole in skin layers
Authors: Demurtas Anna , Pescina Silvia , Nicoli Sara , Santi Patrizia , Padula Cristina 
Published: July 2019

AbstractCrisaborole is a boron compound recently approved by the US Food and Drug Administration as a 2% ointment for the treatment of mild to moderate atopic dermatitis. This work describes a simple method for the quantification of the drug in the skin layers at the end of in‐vitro permeation experiments. Chromatographic separation was carried out on a reverse‐phase C18 column using a mixture of trifluoroacetic acid 0.05%–acetonitrile (55:45, v/v) as mobile phase, pumped at 1 ml/min. Column temperature was 35°C and UV detection was performed at 250 nm. The method was linear in the range of concentration from 0.06 to 6 μg/ml (R2 = 1) and was selective, precise and accurate. Depending on the solvent used, the LOQ ranged from 0.014 to 0.030 μg/ml and the LOD from 0.005 to 0.010 μg/ml. The extraction from all the skin layers was quantitative. The developed method was successfully tested in an in‐vitro permeation study, proving to be an effective tool in the development of new formulations containing crisaborole.
Barriers and facilitators affecting the sustainability of dialectical behaviour therapy programmes: A qualitative study of clinician perspectives
Authors: Popowich Alexandra D. , Mushquash Aislin R. , Pearson Erin , Schmidt Fred , Mushquash Christopher J. 
Published: July 2019

AbstractDialectical behaviour therapy (DBT) is a psychological treatment developed for individuals experiencing chronic suicidality and high‐risk behaviours. Despite the substantial evidence supporting the effectiveness of DBT, many programmes have problems with its sustainability. The goals of the current qualitative study were to identify factors that impact the sustainability of DBT programmes within a publicly funded mental health system and identify factors that are particularly relevant for youth DBT programmes. Interviews with trained adult and youth DBT clinicians (N = 31) were conducted to explore their experiences providing DBT. Three major themes that emerged as barriers to the sustainability of DBT programmes included the following: systemic challenges, conflicts within the consultation teams and clinician burnout. Factors influencing the success of DBT programmes included the following: systemic support, clinician commitment and “buy in”, and team cohesion. Factors specific to providing DBT with youth (i.e. level of commitment, simplifying the language, and parental investment) and recommendations for sustainability for adults and youth programmes were also identified. Findings of this study provide valuable information on factors impacting DBT programmes within the unique context of a Canadian mental health service system, where community‐based services are publicly funded. These findings have clear clinical utility and can be used to generate solutions to clinicians' perceived barriers and to foster perceived facilitators within similar contexts.
IGSF1: A novel oncogene regulates the thyroid cancer progression
Authors: Guan Yaoyao , Wang Yinghao , Bhandari Adheesh , Xia Erjie , Wang Ouchen 
Published: July 2019

Thyroid cancer has been continuously increasing and extraordinarily prevalent worldwide. The genetic diagnosis has been widely used in fine needle aspiration. IGSF1, an immunoglobulin superfamily member 1, has been shown to be associated with the regulation of thyroid hormone. But the function of IGSF1 in thyroid cancer has not been explored yet. In this article, we will illuminate the correlation between IGSF1 expression and thyroid cancer. We analysed the level of IGSF1 expression in 55 pairs of tissue samples by real‐time polymerase chain reaction (PCR) and The Cancer Genome Atlas (TCGA) data portal. After that, we transfected small interfering RNA to silence IGSF1 in thyroid cancer cell lines (KTC‐1 and BCPAP) and confirmed the function of IGSF1 by performed colony formation, migration, invasion, cell counting kit‐8, and apoptosis assays. IGSF1 was upregulated in thyroid cancer tissues compared with the adjacent normal tissues (t = 5.783, df = 54; P < .0001) and TCGA (T: N = 65.91 ± 3.998, n = 501: 2.824 ± 0.273, n = 58; P < .0001). In thyroid cell lines, experiments showed that downregulated IGSF1 inhibited proliferation, metastasis, and promoted cell apoptosis. Meanwhile, inhibited IGSF1 expression could downregulate N‐cadherin, vimentin, and EZH2, which is associated with metastasis. Thyroid cancer cells IGSF1 expression levels are a correlation with its ability to growth, metastasis, and apoptosis.
Effective separation of aromatic hydrocarbons by pyridine‐based deep eutectic solvents
Authors: Feng Shanhua , Sun Jianjun , Ren Zhongqi , Zhou Zhiyong , Zhang Fan , Liu Wei 
Published: July 2019

AbstractMany promising qualities of deep‐eutectic solvents made them suitable solvents in separation process. In this work, the pyridine‐based deep eutectic solvents were designed and synthesized with N‐ethylpyridinium bromide and two HBDs (N‐formyl morpholine and levulinic acid). Two ternary systems, benzene + cyclohexane + DES and toluene + n‐heptane + DES, were studied by the liquid‐liquid extraction. The effect of different HBDs, extraction time, volume ratio of DES to system solution, and the initial concentration of aromatic were studied. The DES with N‐formyl morpholine showed better separation performance than that with levulinic acid. The liquid‐liquid extraction equilibrium could be obtained in 10 minutes. The volume ratio of DES to system solution was set as 1:1. Both DESs showed their best separation performance at low temperatures (20°C) and low aromatic concentration system. For the benzene + cyclohexane system, the distribution coefficient of benzene was 1.733 and the selectivity was 23.8 at 20°C. For the toluene + n‐heptane system, the distribution coefficient of toluene was 0.853 and the selectivity was 40.7. Tie‐lines for two ternary systems were obtained, and the Othmer‐Tobias correlation was used to check the reliability of the obtained liquid‐liquid extraction experimental data. The experimental LLE data were correlated using the NRTL model and the calculated data correlated significantly with the experimental data.
Inhibitory neuronal changes following a mixed diffuse‐focal model of traumatic brain injury
Authors: Carron Simone F. , Sun Mujun , Shultz Sandy R. , Rajan Ramesh 
Published: July 2019

AbstractTraumatic brain injury (TBI) can result in excitation: inhibition imbalance, as well as a range of chronic neurological deficits. However, how TBI affects different interneurons, and how this relates to behavioral abnormalities, remains poorly understood. This study examined the effects of a mixed diffuse‐focal model of TBI, the lateral fluid percussion injury (LFPI), on interneurons, 8 weeks post‐TBI in rats. Brains were labeled with antibodies against calbindin, parvalbumin, calretinin, neuropeptide Y, and somatostatin, and the number of interneurons were assessed in the cortex and hippocampus following LFPI. LFPI caused a reduction in the numbers of interneurons mediating both perisomatic and dendritic inhibition in the somatosensory cortex. In hippocampus, there were heterogenous changes in the number of interneurons while motor cortex, showed no obvious loss in any of the subsets of interneurons after TBI. In parallel to the investigations of changes in the number of interneurons, we also investigated the long‐term behavioral consequences of LFPI. Behaviorally, rats given an LFPI displayed transient reduction in performance in motor tasks and were significantly impaired in reversal learning in the water maze task post‐TBI. We also report here progressive neurodegeneration in cortex and hippocampus indicated by Fluoro‐Jade C in the different brain areas examined after injury. Our findings suggest differential vulnerability of inhibitory neurons to LFPI in the different brain areas examined after injury. These data will aid in evaluation of new treatments for TBI and help target specific neuronal subtypes as a function of injury time and type.
Photoperiod‐induced neurotransmitter plasticity declines with aging: An epigenetic regulation?
Authors: Pritchard Rory , Chen Helene , Romoli Ben , Spitzer Nicholas C. , Dulcis Davide 
Published: July 2019

AbstractNeuroplasticity has classically been understood to arise through changes in synaptic strength or synaptic connectivity. A newly discovered form of neuroplasticity, neurotransmitter switching, involves changes in neurotransmitter identity. Chronic exposure to different photoperiods alters the number of dopamine (tyrosine hydroxylase, TH+) and somatostatin (SST+) neurons in the paraventricular nucleus (PaVN) of the hypothalamus of adult rats and results in discrete behavioral changes. Here, we investigate whether photoperiod‐induced neurotransmitter switching persists during aging and whether epigenetic mechanisms of histone acetylation and DNA methylation may contribute to this neurotransmitter plasticity. We show that this plasticity in rats is robust at 1 and at 3 months but reduced in TH+ neurons at 12 months and completely abolished in both TH+ and SST+ neurons by 18 months. De novo expression of DNMT3a catalyzing DNA methylation and anti‐AcetylH3 assessing histone 3 acetylation were observed following short‐day photoperiod exposure in both TH+ and SST+ neurons at 1 and 3 months while an overall increase in DNMT3a in SST+ neurons paralleled neuroplasticity reduction at 12 and 18 months. Histone acetylation increased in TH+ neurons and decreased in SST+ neurons following short‐day exposure at 3 months while the total number of anti‐AcetylH3+ PaVN neurons remained constant. Reciprocal histone acetylation in TH+ and SST+ neurons indicates the importance of studying epigenetic regulation at the circuit level for identified cell phenotypes. The findings may be useful for developing approaches for noninvasive treatment of disorders characterized by neurotransmitter dysfunction.
An exploration of resilience in adolescents facing maternal cancer
Authors: Rodríguez Leonor 
Published: July 2019

AbstractBackgroundResearch findings on the impact of parental cancer on adolescents are inconsistent, some studies identifying negative psychosocial impact but others identifying positive impact; however, there is not enough understanding on the underlying factors that may lead to differences in outcomes. Research has found that resilience has a role in adolescents' adaptation to maternal cancer; however, the nature of this requires further exploration.AimsThis analysis will help understand resilience in adolescents that experience maternal cancer by exploring the nature of resilience and the individual, family, and environmental risk and protective factors that determine resilience in adolescent lived experiences of maternal cancer that enable positive outcomes.MethodsThis study is part of a larger investigation focused on understanding adolescent adjustment to maternal cancer and the psychosocial factors that promote adjustment. Original adolescent interview transcripts (n = 15) were subject to a secondary thematic analysis.ResultsThe analysis yielded four themes: the first theme, The Journey of Maternal Cancer, describes adolescent experiences of maternal cancer over time; the second theme is a detailed description of adolescent Protective Factors and how these supported the adolescents; the third theme describes the Risk Factors that adolescents faced; and the fourth theme summarizes the Positive Outcomes that adolescents self‐identified.ConclusionThis study found resilience as dynamic, as it changes over time. These changes are a result of the course of maternal illness and its treatment over time. Adolescents can adapt to change, but this capacity is shaped by protective factors and risk factors as well as challenges that are unique to having a mother diagnosed with cancer. Most adolescents managed to navigate successfully and identified positive outcomes from a difficult and life‐changing experience. The study suggests the need to provide long‐term supports for adolescents and carry out longitudinal research to further understand the trajectories of resilience in adolescents who experience maternal cancer.