bluuebunny/crossref_metadata_2025_split huggingface dataset:
Scalable Prediction of Compound‐protein Interaction on Compressed Molecular Fingerprints
Authors: Tabei Yasuo 
Published: January 2020

AbstractPrediction of compound‐protein interactions with fingerprints has recently become challenging in recent pharmaceutical science for an efficient drug discovery. We review two scalable methods for predicting drug‐protein interactions on fingerprints. Especially, we introduce two techniques of learning statistical models using lossless and lossy data compressions. The first one is a method using a trie representation of fingerprints which enables us to learn predictive models on the compressed format. The second one is a method using lossy data compression called feature maps (FMs). Recently, quite a few numbers of FMs for kernel approximations have been proposed and minwise hashing, one method of this kind. has been applied to predictions of compound‐protein interactions and shows an effectiveness of the method. Overall, we show learning statistical models on the compressed format is effective for predicting compound‐protein interactions on a large‐scale.
Explaining shopping behavior in a market economy country: A short‐term mathematical model applied to the case of Spain
Authors: Merello Paloma , de la Poza Elena , Jódar Lucas 
Published: January 2020

AbstractIn recent decades, pathological consumption has become a growing behavioral misbehavior. Impulsive consumption is governed by two internal behavioral mechanisms that respond fundamentally to the hedonism or Pascal effect and to the emulation or Veblen effect. Today's development of technology acts as a catalyst of consumption by increasing access and availability to products, as well as the advertisement impact. This paper presents a compartmental discrete matrix mathematical model that allows short‐term estimates of ordinary, impulsive, and pathological buyers in Spain in three different economic scenarios. The results show that impulsive and pathological buyers will increase in all the economic scenarios. Notable differences in the number of ordinary buyers are found for the group aged over 65 years.
Research on adaptive beacon message broadcasting cycle based on vehicle driving stability
Authors: Zhang Yuejin , Wang Meng , Wang Juan , Du Fei , Hu Yong , Yu Meng , Li Guanghui , Zhan Aiyun 
Published: January 2020

SummaryEnsuring smooth communication by fixed‐cycle message beaconing in vehicular environments is necessary to address vehicles safety. However, fixed‐cycle beacon messages cannot accommodate the characteristics of fast vehicle speeds and variable network topologies and can cause problems such as channel congestion when traffic density is too high. Therefore, in order to realize safe and reliable information transmission between vehicles, this paper proposes a strategy for adaptive update of beacon message cycle based on vehicle driving stability. It is based on two rules: one is that the vehicle position prediction error is defined as an unstable vehicle, and the small error is defined as a stable vehicle; and the other is that the adaptive beacon message cycle is ranged, which is determined according to the channel load capacity. The experimental results show that the strategy can effectively avoid the channel congestion problem and improve the driving safety of the vehicle. Compared with the fixed‐cycle beacon message, the communication delay is reduced by about 10%, the packet loss is reduced by about 22%, and the energy consumption is reduced.
Rapid discrimination of Notopterygium incisum and Notopterygium franchetii based on characteristic compound profiles detected by UHPLC‐QTOF‐MS/MS coupled with multivariate analysis
Authors: Ma Xiaobing , Wu Youjiao , Li Ying , Huang Yanfei , Liu Yuan , Luo Pei , Zhang Zhifeng 
Published: January 2020

AbstractIntroductionThe herbs Notopterygium incisum (NI) and N. franchetii (NF) are referred to as “Qianghuo” in the Chinese Pharmacopeia and are popular for treatment of certain conditions, including headaches, rheumatoid arthritis and the common cold. Recently, several adulterations of NI and NF have been found in the Chinese herbal market.ObjectiveThe aim of this study was to rapidly identify the unique characteristic compounds of NI and NF, to discriminate Qianghuo from its adulterations.MethodologyTwenty‐four batches of NI and NF samples with different origins were collected and extracted with methanol. The extracts were analysed using ultrahigh‐performance liquid chromatography‐quadrupole time‐of‐flight tandem mass spectrometry (UHPLC‐QTOF‐MS/MS). Principal component analysis (PCA) and orthogonal partial squared discriminant analysis (OPLS‐DA) were then used to distinguish between NI and NF and to identify their potential characteristic markers.ResultsFifty compounds were identified or tentatively characterised according to the retention time, m/z value and MS/MS fragment analysis. Six compounds were selected as potential markers of NI and NF by PCA and OPLS‐DA. They were successfully applied to authenticate 17 kinds of Chinese patent medicines containing Qianghuo. The markers could not be detected in three of the Chinese patent medicines, indicating that they were counterfeit products.ConclusionThe UHPLC‐QTOF‐MS/MS coupled with the multivariate analysis method could discriminate NI and NF from their adulterations. Moreover, the data clearly demonstrated significant differences in the chemical compositions of NI and NF. Further research is needed to examine the relationship between therapeutic efficacy and the chemical constituents of NI and NF.
1H‐NMR metabolomics profiling of recombinant tobacco plants holding a promoter of a sesquiterpene cyclase
Authors: Becerra‐Martínez Elvia , Pacheco‐Hernández Yesenia , Lozoya‐Gloria Edmundo , Betancourt‐Jiménez Martha G. , Hidalgo‐Martínez Diego , Zepeda‐Vallejo Luis G. , Villa‐Ruano Nemesio 
Published: January 2020

AbstractIntroductionNicotiana tabacum is a plant model intensively used in the bio‐engineering pharmaceutical industry as a platform to produce drugs and therapeutic agents. Currently, no information regarding the non‐targeted metabolome of transgenic tobacco containing recombinant regulatory sequences is available.ObjectiveTo compare the proton nuclear magnetic resonance (1H‐NMR) metabolomics profiling of a recombinant Nicotiana tabacum strain containing a promoter of a sesquiterpene cyclase from Capsicum annuum driving GUS expression, versus wild‐type samples.MethodologyThe non‐targeted 1H‐NMR metabolome was obtained and processed by principal component analysis (PCA) and orthogonal projection to latent structures discriminant analysis (OPLS‐DA). The differential metabolites were quantified by quantitative NMR.ResultsPCA and OPLS‐DA revealed 37 metabolites including 16 discriminant compounds for transgenic samples. Ethanol (0.4 mg g‐1), the main differential compound, was exclusively detected in transgenic tobacco; however, high levels of formate (0.28 mg g‐1) and acetate (0.3 mg g‐1) were simultaneously observed in the same group of samples. Cembratriene‐4,6‐diol, an antitumour and neuroprotective compound, and capsidiol, a known phytoalexin, increased by about 30% in transgenic samples. In addition, the endogenous levels of the antioxidant caffeoylquinic acid isomers increased by 50% in comparison to those of wild‐type tobaccos.ConclusionOur results support the occurrence of metabolic differences between wild type and transgenic tobacco containing a promoter of a Capsicum sesquiterpene cyclase gene. Interestingly, the recombinant transgenic strain studied accumulated high amounts of added value compounds with biological activity.
Updating and expanding systematic reviews and meta‐analyses on the effects of school‐wide positive behavior interventions and supports
Authors: Lee Ahhyun , Gage Nicholas A. 
Published: January 2020

AbstractSchool‐wide positive behavior interventions and supports (SWPBIS) is a multitiered support framework for preventing problem behaviors and increasing prosocial behaviors. There has been an increasing number of experimental group design research studies focused on the impacts of SWPBIS. Therefore, we conducted a systematic review to update and extend prior reviews by including both published and unpublished studies and conducting a robust variance estimation meta‐analysis to examine the magnitude of the effect of SWPBIS on all available school‐level outcomes. A total of 29 studies were identified across the United States and Europe, including seven randomized controlled trials and 22 quasi‐experimental group design studies. Overall, statistically significant reductions in school discipline and increased academic achievement were found. Effect sizes were small to medium. Limitations and implications are discussed.
Free‐radical polymerization upon near‐infrared light irradiation, merging photochemical and photothermal initiating methods
Authors: Bonardi Aude‐Heloise , Bonardi Fabien , Noirbent Guillaume , Dumur Frederic , Gigmes Didier , Dietlin Celine , Lalevée Jacques 
Published: January 2020

ABSTRACTPolymerization of (meth)acrylate resins upon near‐infrared (NIR) light remains a huge challenge. In this study, a new photoinduced method of polymerization of methacrylic monomers is presented, originally merging a photochemical and a photothermal pathway. A four‐component system is proposed comprising an NIR dye combined with an iodonium salt, a phosphine, and a thermal initiator. A selection of dyes is suggested regarding electron transfer properties and/or light‐to‐heat conversion abilities. Several thermal initiators are studied: an alkoxyamine (BlocBuilder MA), an azo derivative, and a peroxide. For the first time, an NIR absorbing dye is used in photopolymerization using both its capacities of light‐to‐heat conversion and its ability to initiate an electron transfer reaction. Three wavelengths of irradiation will be presented here: 785, 940, and 1064 nm. These long wavelengths are challenging because the energy of photons is extremely low but these wavelengths offer significant advantages in term of light penetration (e.g., for the access to composites through photopolymerization processes). The different systems presented here exhibit high and rapid conversions of methacrylate functions. The underlying chemical mechanism will be fully depicted by real‐time Fourier transform infrared spectroscopy and thermal imaging measurements. © 2020 Wiley Periodicals, Inc. J. Polym. Sci. 2020, 58, 300–308
Test for respiratory and asthma control in preschool kids in the emergency department as a predictor of wheezing exacerbations
Authors: Harel‐Sterling Maya , Dai Ruixue , Moraes Theo J. , Boutis Kathy , Eiwegger Thomas , Narang Indra , Lepine Claire , Brydges May Grace , Dubeau Aimee , Subbarao Padmaja , Schuh Suzanne 
Published: January 2020

AbstractObjectiveThe test for respiratory and asthma control in kids (TRACK score) is a standardized questionnaire tool validated to identify poor symptom control in children with stable preschool wheeze. This study determined if TRACK score measured within 5 days of an Emergency Department (ED) visit for acute wheezing predicts a subsequent wheezing exacerbation requiring an ED visit and/or treatment with systemic corticosteroids within 3 months.MethodsThis was a single‐center prospective cohort study of children aged 36 to 71 months who presented to the ED with an acute episode of wheezing and had TRACK score measured at a clinic visit within 5 days of the index ED encounter, focused on information about symptoms occurring before the onset of the current acute episode. The outcomes were the independent association of a repeat wheezing exacerbation with the overall TRACK score (primary) and with mutually uncorrelated TRACK items (secondary), adjusted for sex and atopy.ResultsWe enrolled 102 children; median age 52.3 (44.1, 59.9) months, 59% males. Of these, 33 (32.4%) had further wheezing exacerbations. For each 10 unit decrease in TRACK, the odds of a future exacerbation was 1.38 (95% CI, 1.10‐1.75); male sex demonstrated OR, 5.13 (1.84‐14.33). A model that included TRACK items reflecting more than equal to 1 awakenings for wheezing in the past 4 weeks, receipt of more than equal to 2 courses of corticosteroids in the last year and male sex was predictive of wheezing exacerbations: OR, 6.43 (2.18‐19.00).ConclusionIn preschoolers with acute wheezing episodes in the ED, we have identified the TRACK score components which, together with male sex, can be used to identify children at risk of future exacerbations requiring referral for specialized care. These results need to be confirmed and validated in other populations enrolled at multiple sites before they can be implemented in practice.
Meteorological factors affecting respiratory syncytial virus infection: A time‐series analysis
Authors: Zhang Hailin , Wen Shunhang , Zheng Jingwei , Chen Xiaofang , Lv Fangfang , Liu Li 
Published: January 2020

AbstractIntroductionRespiratory syncytial virus (RSV) infection is a major cause of hospitalization in children. Meteorological factors are known to influence seasonal RSV epidemics, but the relationship between meteorological factors and RSV infection in children is not well understood. We aimed to explore the relationship between meteorological factors and RSV infections among hospitalized children, using different statistical models.MethodsWe conducted a retrospective review concerning children with RSV infections admitted to a tertiary pediatric hospital in Wenzhou, China, between January 2008 and December 2017. The relationship between meteorological factors (average daily temperatures, average daily relative humidity, rainfall, rainfall days, and wind speed) and the incidence of RSV in hospitalized children was analyzed using three time‐series models, namely an autoregressive integrated moving average (ARIMA) model, a generalized additive model (GAM), and a least absolute shrinkage and selection operator (LASSO)‐based model.ResultsIn total, 15 858 (17.6%) children tested positive for RSV infection. The ARIMA model revealed a marked seasonal pattern in the RSV detection rate, which peaked in winter and spring. The model was a good predictor of RSV incidence (R2: 83.5%). The GAM revealed that a lower temperature and higher wind speed preceded increases in RSV detection. The LASSO‐based model revealed that temperature and relative humidity were negatively correlated with RSV detection.ConclusionsSeasonality of RSV infection in hospitalized children correlated strongly with temperature. The LASSO‐based model can be used to predict annual RSV epidemics using weather forecast data.
Lung function and respiratory outcomes in teenage boys and girls born very prematurely
Authors: Harris Christopher , Zivanovic Sanja , Lunt Alan , Calvert Sandy , Bisquera Alessandra , Marlow Neil , Peacock Janet L. , Greenough Anne 
Published: January 2020

AbstractObjectivesMale sex in prematurely born infants has been associated with worse respiratory outcomes in early childhood.Working HypothesisRespiratory outcomes at 11 to 14 years of age in children born very prematurely and routinely exposed to antenatal corticosteroids and postnatal surfactant would differ according to sex.Study DesignAnalysis of follow‐up data.Patient‐Subject SelectionThree hundred and nineteen children born before 29 weeks of gestational age from the United Kingdom Oscillation Study.MethodologySpirometry was used to assess forced expiratory flow at 75%, 50%, and 25% of expired vital capacity (FEF75, FEF50, and FEF25), forced expiratory volume in 1 second (FEV1), peak expiratory flow (PEF), and forced vital capacity (FVC). Lung volumes were measured using a helium dilution technique (FRCHe) and by plethysmography (FRCpleth). Total lung capacity (TLC) and residual volume (RV) were calculated. Mean lung function measurements were compared using linear mixed models and reported as unadjusted and adjusted for neonatal and age 11 to 14 years factors. The participants also completed health questionnaires and provided a urine sample for assessment of passive or active smoking.ResultsThree (FEF25, FEF25‐75, FEV1) lung function measures showed significant differences in favor of females after adjustment. The percentage of children with abnormal lung function (below 5th centile for normal) had adjusted differences between 10 and 30 percentage points, for example, for FEF25 15% females compared with 26% males.ConclusionsAmong extremely prematurely born school children airway function was significantly worse in males.
Six‐year experience with treatment of early donor‐specific anti‐HLA antibodies in pediatric lung transplantation using a human immunoglobulin‐based protocol
Authors: Ius Fabio , Müller Carsten , Sommer Wiebke , Verboom Murielle , Hallensleben Michael , Salman Jawad , Siemeni Thierry , Kühn Christian , Avsar Murat , Bobylev Dmitry , Poyanmehr Reza , Erdfelder Caroline , Böthig Dietmar , Carlens Julia , Bayir Lale , Hansen Gesine , Blasczyk Rainer , Falk Christine , Tecklenburg Andreas , Haverich Axel , Tudorache Igor , Schwerk Nicolaus , Warnecke Gregor 
Published: January 2020

AbstractObjectivesExperience with the treatment of early donor‐specific anti‐HLA antibodies (eDSA) after lung transplantation in children is very limited. At our institution, we have treated patients with eDSA since 2013 with successive infusions of intravenous human immunoglobulins (IVIG), combined in some cases with a single dose of Rituximab and plasmapheresis (therapeutic plasma exchange [tPE]) or immunoabsorption. The aim of this study was to present the 6‐year results of IVIG‐based therapy in pediatric lung recipients.MethodsRecords of pediatric (<18 years old) patients transplanted at our institution between 01/2013 and 03/2019 were reviewed. Outcomes were compared between patients with eDSA treated with IVIG (IVIG group) and without eDSA (control group). Median (interquartile range [IQR]) follow‐up amounted to 28 (12‐52) months.ResultsDuring the study period, 66 lung‐transplanted pediatric patients were included, of which 27 (41%) formed the IVIG group and 38 (57%) the control group. Among the IVIG patients, 14 (52%) patients showed concomitant graft dysfunction (possible clinical antibody‐mediated rejection). The median time to eDSA detection was 24 (14‐63) days after transplantation. eDSA were cleared in 25 (96%) of the 26 patients which completed treatment. At 3 years, graft survival (%) was 73 vs 85 (P = .65); freedom (%) from chronic lung allograft rejection (CLAD) was 89 vs 78 (P = .82); and from infection 47 vs 31 (P = .15), in IVIG vs control patients, respectively.ConclusionsAfter lung transplantation, an IVIG‐based treatment for eDSA yielded high eDSA clearance. IVIG and control patients showed similar CLAD‐free and graft survival.
Assessment of psychological capital at work by physiotherapists
Authors: Salles Fagner Luiz Pacheco , d'Angelo Marcia Juliana 
Published: January 2020

AbstractObjectiveDescribe how psychological capital in the workplace impacts job satisfaction and quality life among Brazilian physiotherapists.MethodsQuestionnaires were distributed to physiotherapists of the Brazilian Physical Therapists Association working in clinical or managerial positions in the public or private sector. The response rate was 12%, with 389 participants.ResultsJob satisfaction was associated with self‐efficacy, hope, optimism, and resilience, showing a direct relationship between satisfaction and psychological capital in the workplace. The self‐employed physiotherapists were more satisfied and had higher psychological capital in the workplace than the physical therapists employed by a company.ConclusionIt is relevant that managers in the physiotherapy field recognize the relevance of psychological capital in the workplace and use it in their management practices. Understanding the individual characteristics of each employee is essential in promoting the personal development of physical therapists. This finding contributes to a healthier and more challenging work environment for physiotherapists in addition to developing their careers in physical therapy units.
Facile Morphology‐Tunable Preparation of CuS@MoS2 Heterostructures Based on Template Solvothermal Method
Authors: Liu Fangge , Xu Ruizhi , Hong Liu , Yang Zehui , Li Yunxing , Wang Chuanxi , Jia Hongbing , Yang Cheng 
Published: January 2020

AbstractMorphology controlling has been considered as an important factor for constructing electrochemical catalysts with excellent catalytic activity as confirmed in recent studies. Herein we report a facile solvothermal method in synthesizing CuS@MoS2 nanocomposite with potentially high catalytic activity, of which different morphologies including nanorod (NR), hierarchical hollow nanosphere (HHNS) and solid nanosphere (SNS) can be simply tuned by solvent polarity and template‐precursor ratio. The morphological variation of these composites is believed as a result of the competition between overall free energy and surface free energy. The alternation in composite morphology finally causes a difference of electrochemical CO2 reduction (CO2 RR) activities among NR, HNNS and SNS, in which a low onset potential (‐0.35 V vs. RHE) and excellent cycling stability can be achieved. Our results demonstrate a large potentiality of CuS@MoS2 nanohybrid to be applied in CO2 RR once its morphology can be controlled.
Customization of Conductive Elastomer Based on PVA/PEI for Stretchable Sensors
Authors: Wang Chan , Hu Kuan , Zhao Chaochao , Zou Yang , Liu Ying , Qu Xuecheng , Jiang Dongjie , Li Zhe , Zhang Ming‐Rong , Li Zhou 
Published: January 2020

AbstractConductive, stretchable, environmentally‐friendly, and strain‐sensitive elastomers are attracting immense research interest because of their potential applications in various areas, such as human–machine interfaces, healthcare monitoring, and soft robots. Herein, a binary networked elastomer is reported based on a composite hydrogel of polyvinyl alcohol (PVA) and polyethyleneimine (PEI), which is demonstrated to be ultrastretchable, mechanically robust, biosafe, and antibacterial. The mechanical stretchability and toughness of the hydrogels are optimized by tuning the constituent ratio and water content. The optimal hydrogel (PVA2PEI1‐75) displays an impressive tensile strain as high as 500% with a corresponding tensile stress of 0.6 MPa. Furthermore, the hydrogel elastomer is utilized to fabricate piezoresistive sensors. The as‐made strain sensor displays seductive capability to monitor and distinguish multifarious human motions with high accuracy and sensitivity, like facial expressions and vocal signals. Therefore, the elastomer reported in this study holds great potential for sensing applications in the era of the Internet of Things (IoTs).