bluuebunny/crossref_metadata_2025_split huggingface dataset:
How Many O‐Donor Groups in Enterobactin Does It Take to Bind a Metal Cation?
Authors: Baramov Todor , Schmid Bianca , Ryu Ho , Jeong Jinhoon , Keijzer Karlijn , von Eckardstein Leonard , Baik Mu‐Hyun , Süssmuth Roderich D. 
Published: February 2019

AbstractThe E. coli siderophore enterobactin, the strongest FeIII chelator known to date, forms hexacoordinate complexes with SiIV, GeIV, and TiIV. Synthetic protocols have been developed to prepare non‐symmetric enterobactin analogues with varying denticities. Various benzoic acid residues were coupled to the macrocyclic lactone to afford a diverse library of ligands. These enterobactin analogues were bound to SiIV, GeIV, and TiIV, and the complexes were investigated through experimental and computational techniques. The binding behavior of the synthesized chelators enabled assessment of the contribution of each of the phenolic hydroxy groups in enterobactin to metal‐ion complexation. It was found that at least four O‐donors are needed for enterobactin derivatives to act as metal binders. Density functional theory calculations indicate that the strong binding behavior of enterobactin can be ascribed to a diminished translational entropy penalty, a common feature of the chelate effect, coupled with the structural arrangement of the three catechol moieties, which allows the triseryl base to be installed without distorting the preferred local metal‐binding geometry of the catecholate ligands.
Interoperable and network‐aware service workflows for big data executions at internet scale
Authors: Kathiravelu Pradeeban , Van Roy Peter , Veiga Luís 
Published: February 2019

SummarySharing of computing resources and workload across different big data frameworks is challenging due to their lack of interoperable interfaces. In contrast, web services natively support an interoperable execution. Therefore, an increasing number of big data workflows are composed of data services and web service implementations that access and process big data. On the other hand, big data execution in the wide area networks needs to minimize latency and communication overheads to be able to scale seamlessly. Lack of network‐awareness of classic web service execution beyond data centers significantly challenges the scope of data services.Software‐Defined Networking (SDN) offers better control and management to the network, by unifying the control plane centrally, away from the distributed data plane devices. In this paper, we propose Software‐Defined Data Services (SDDS), an SDN‐based distributed service composition and workflow placement approach for data services in wide area networks. We first present the design of an SDDS framework that models the big data executions as composable data service workflows in multi‐domain network environments. We then evaluate the performance of a prototype SDDS framework through microbenchmarks. The benchmarks highlight the efficiency of SDDS in data service execution inside and beyond data centers.
A 7‐year follow‐up study of the Mindfulness‐Based Program for Infertility: Are there long‐term effects?
Authors: Galhardo Ana , Cunha Marina , Pinto‐Gouveia José 
Published: February 2019

The Mindfulness‐Based Program for Infertility (MBPI) was developed for people facing infertility and proved effective in cultivating mindfulness skills, improving infertility self‐efficacy, and decreasing depression, shame, entrapment, and defeat feelings. Fifty‐five women attended the MBPI sessions and completed self‐report measures of depression, anxiety, mindfulness, and experiential avoidance at post‐MBPI (T1), 6‐month follow‐up (T2), and 7‐year follow‐up (T3). There were significant direct time effects regarding experiential avoidance (F = 3.81;p < 0.033;ηp2 = 0.08), the mindfulness facets describing (F = 3.54;p = 0.037;ηp2 = 0.13), acting with awareness (F = 6.87;p = 0.002;ηp2 = 0.22), nonjudging of inner experience (F = 10.66;p < 0.001;ηp2 = 0.31), and depressive symptoms (F = 4.85;p = 0.020;ηp2 = 0.10). There was an increase in the describing facet from T1 to T3 (p = 0.036). The act with awareness facet increased from T1 to T2 (p = 0.010) and from T1 to T3 (p = 0.007), as well as the nonjudging of inner experience facet (T1 to T2 [p = 0.030] and T1 to T3 [p = 0.002]). Experiential avoidance decreased from T1 to T3 (p = 0.022) and depressive symptoms from T1 to T2 (p = 0.019). Post‐MBPI scores were maintained at T2 and T3 concerning anxiety symptoms and the observing and no‐reactivity mindfulness facets. There were long‐term effects of MBPI on mindfulness and experiential avoidance. Moreover, therapeutic gains were maintained regarding depression and anxiety symptoms, independently of the reproductive outcome.
Monitoring and modelling the hydrological behaviour of a reclaimed wadi basin in Egypt
Authors: Coppola Antonio , Abdallah Mohamed , Dragonetti Giovanna , Zdruli Pandi , Lamaddalena Nicola 
Published: February 2019

AbstractWe analysed the hydrological behaviour of a wadi basin in Egypt, whose channel was modified into levelled terraces for cultivation. A yearly data set was used, consisting of weather data, distributed water content measurements in the terraces of the wadi channel, and run‐off discharges at the wadi outlet. A modelling approach combining a run‐off model and an agro‐hydrological model was tested to simulate, respectively, the water stored in the wadi stream bed after a single rainfall event and the depletion of the stored water by evapotranspiration in the period between two subsequent rainfall events. Calibration and validation of the run‐off model were based on both basin outlet run‐off and distributed water storage measurements. High Nash–Sutcliffe efficiencies were obtained for both distributed channel water storage and outlet discharges, showing the importance of having available distributed storage measurements, besides basin outlet discharges, to obtain more robust model predictions. The soil–plant–atmosphere model was not calibrated as the parameters for the hydraulic properties, all coming from direct measurements, proved to describe effectively the distributed water storages measured in the terraces during the monitoring campaign. It was observed that the terraces (about 100,000 m3) may store up to 50,000 m3 of water. By considering that in the soil considered, the water content at the wilting point is about 5% and that in July, the soil profile is still able to retain about 40% of the initial volume, most of the water stored may be used by crops for the whole spring–summer period.
A Method for Optimizing the Design of Heterogeneous Nano Gas Chemiresistor Arrays
Authors: Luna Steven , Stahovich Thomas F. , Su Heng C. , Myung Nosang V. 
Published: February 2019

AbstractA method for optimizing the design of heterogeneous gas chemiresistor arrays to maximize classification accuracy is presented. The features used for classification include coefficients from a Fast Fourier Transform, properties of a piecewise representation of the response shape, and features characterizing the response time. The novel response time features are designed to be insensitive to noise and sensor drift. This work introduces a novel approach for leveraging experimental data to create large synthetic datasets for training classifiers. Pairs of time‐series sensor response measurements are randomly combined with a noise model to create synthetic sensor responses, which are then combined to create synthetic array responses. J48 decision trees are used to classify species and support vector machine regression models are used to determine the concentration once the species is known. The results demonstrate the value of array optimization, as the highest classification accuracy is achieved using a subset of the available sensor designs. J48 decision trees proved to be efficient for use in optimization and achieved high accuracy. Separating the tasks of classifying species and identifying concentration also proved to be effective. The techniques were applied to the design of an array for classifying H2, H2S, NH3, and NO2. The optimal array achieved 95.7 % accuracy at classifying species and an average correlation coefficient of 0.92 for determining concentration.
A Novel Electrochemical Sensor for Detection of Molinate Using ZnO Nanoparticles Loaded Carbon Electrode
Authors: Shetti Nagaraj P. , Malode Shweta J. , Ilager Davalasab , Raghava Reddy Kakarla , Shukla Shyam S. , Aminabhavi Tejraj M. 
Published: February 2019

AbstractIn this work, electrochemical detection of molinate herbicide was studied by developing a novel sensor based on carbon paste incorporated with zinc oxide (ZnO) nanoparticles using cyclic (CV) and square wave voltammetric (SWV) techniques. Molinate exhibited one well resolved peak at pH of 3.0 phosphate buffer solution (PBS), which was irreversible. The lowest possible detection limit of 1.0×10−8 M was achieved in the concentration range of 0.002 μM to 0.25 μM. The modifying ability of ZnO nanoparticles was responsible for such a low level sensing in water and soil samples.
Forecasting economic indicators using a consumer sentiment index: Survey‐based versus text‐based data
Authors: Song Minchae , Shin Kyung‐shik 
Published: February 2019

AbstractGiven the confirmed effectiveness of the survey‐based consumer sentiment index (CSI) as a leading indicator of real economic conditions, the CSI is actively used in making policy judgments and decisions in many countries. However, although the CSI offers qualitative information for presenting current conditions and predicting a household's future economic activity, the survey‐based method has several limitations. In this context, we extracted sentiment information from online economic news articles and demonstrated that the Korean cases are a good illustration of applying a text mining technique when generating a CSI using sentiment analysis. By applying a simple sentiment analysis based on the lexicon approach, this paper confirmed that news articles can be an effective source for generating an economic indicator in Korea. Even though cross‐national comparative research results are suited better than national‐level data to generalize and verify the method used in this study, international comparisons are quite challenging to draw due to the necessary linguistic preprocessing. We hope to encourage further cross‐national comparative research to apply the approach proposed in this study.
Influence of vermicompost and sheep manure on mechanical properties of tomato fruit
Authors: Jahanbakhshi Ahmad , Kheiralipour Kamran 
Published: February 2019

AbstractMechanical properties of the horticultural products play an important role in improving the products quality and storage life after harvesting and also reducing product waste. Recently, using organic fertilizers has increasing trend for producing high‐quality products as well as improvement of soil quality. Two of the best options to produce organic material and sustainability of agricultural production are vermicompost and sheep manure. The present study relied on determination of mechanical properties through pressure and shear tests. Vermicompost and sheep manure were used separately to fertilize the soil. After planting tomato seeds and harvesting, tomato fruits were analyzed by a universal test machine. The results showed that vermicompost was a better fertilizer than sheep manure due to its more appropriate carbon to nitrogen ratio (C/N), acidity, and salinity. Also, in the pressure test, the maximum force required for bruise of tomato produced with vermicompost (41.5N) was more than that of control sample (no fertilizer) and sheep manure. In the shearing test, the maximum force required for shearing tomato produced with vermicompost (58.60 N) was lower than that of control sample (no fertilizer) and sheep manure. The findings of this study can be used to reduce the amount of waste at different stages of tomato production and supply including the design and optimization of processing and transportation equipment.
Trigonal Prismatic Cu6L3 Coordination Cage: Encapsulation of Aromatic Molecules and Tuned Photoluminescence
Authors: Shi Zhi‐Chun , Zhang De‐Xiang , Zhan Shun‐Ze , Li Mian , Zheng Ji , Yang Hu , Zhou Xiao‐Ping , Li Dan 
Published: February 2019

AbstractA trigonal prismatic Cu6L3 coordination cage has been assembled from Cu(I) and semi‐rigid bipyrazolyl ligand. The X‐ray crystallography demonstrates that the cage has a cavity and can encapsulate the toluene as a guest, exhibiting thermochromism phenomenon. Empty cage can be obtained by expulsion of the guest through single crystal to single crystal transformation. After removed the guest, the empty cage shows a blue‐shifted emission (580 nm), in comparison to its parent cage (615 nm). The empty cage could further serve as a host to encapsulate other aromatic molecules (e. g. mesitylene), which shows new emission band. The trigonal prismatic Cu6L3 coordination cage provides a platform to make advanced luminescent materials.
Toxicity of Fe2O3 nanoparticles on human blood lymphocytes
Authors: Assadian Evelyn , Dezhampanah Hamid , Seydi Enayatollah , Pourahmad Jalal 
Published: February 2019

AbstractMagnetic nanoparticles (NPs) are used to a large extent in the targeted delivery of therapeutic agents. In this study, we aimed to investigate the possible toxicity of Fe2O
3 NPs on human cells, including blood lymphocytes. We isolated blood lymphocytes from healthy humans using Ficoll polysaccharide and subsequently by gradient centrifugation. Then, the toxicity parameters, including cell viability, reactive oxygen species (ROS) formation, lipid peroxidation, cellular glutathione (GSH) level, mitochondrial and lysosomal damage, were measured in blood lymphocytes after exposure to Fe
2O
3 NPs. Our results indicated that Fe
2O
3 NPs significantly (dependent on concentration) reduced the cell viability, and the IC
50 was determined to be 1 mM. With increasing concentrations, we found that Fe
2O
3 NPs–induced cell toxicity was associated with a significant increase in intracellular ROS and loss of mitochondrial membrane potential and lysosomal membrane leakiness. Consequently, these NPs at different concentrations affect GSH level and cause oxidative stress in human lymphocytes.
miR‐497‐5p inhibits tumor cell growth and invasion by targeting SOX5 in non–small‐cell lung cancer
Authors: Li Gang , Wang Kai , Wang Jiansheng , Qin Sida , Sun Xin , Ren Hong 
Published: February 2019

AbstractMicroRNAs plays an important role in the ccurrence and development of non–small‐cell lung cancer (NSCLC). miR‐497‐5p has been reported to function as a tumor suppressor in various cancers. However, the role of miR‐497‐5p in NSCLC remains poorly understood. In this study, we aimed to investigate the biological role and potential molecular mechanism of miR‐497‐5p in NSCLC. Our results showed that the messenger RNA (mRNA) expression level of miR‐497‐5p was notably downregulated in human NSCLC tissues and cell lines. miR‐497‐5p overexpression remarkably inhibited NSCLC cell proliferation and increased cell apoptosis in A549 and H460 cells, whereas inhibition of miR‐497‐5p had an opposite effect. The ability of cell migration and invasion was inhibited by miR‐497‐5p overexpression but was increased by miR‐497‐5p inhibition. Moreover, our findings indicated that SOX5 was a direct target of miR‐497‐5p. The protein and mRNA expression levels of SOX5 in A549 cells were remarkably inhibited by miR‐497‐5p overexpression but was upregulated by miR‐497‐5p inhibition. Furthermore, SOX5 overexpression notably reversed the effect of miR‐497‐5p mimic on NSCLC cell proliferation, cell apoptosis, cell migration, and invasion. Taken together, these results indicated that miR‐497‐5p overexpression inhibited NSCLC cell proliferation, migration and invasion, and induced cell apoptosis through inhibiting SOX5 gene expression. It was conceivable that miR‐497‐5p might serve as a potential molecular target for NSCLC treatment.
P53: The endothelium defender
Authors: Uddin Mohammad Afaz , Barabutis Nektarios 
Published: February 2019

AbstractP53 represents the paradigm of a multitalented transcription factor, responsible for the cellular defense against a plethora of potentially harmful stimuli. It exercises the ability to strongly oppose both cancer and inflammation, partially due to the fact that both conditions are highly interrelated. Endothelium hyperpermeability is considered the hallmark of severe lung inflammation, and the cardinal feature of the lethal acute respiratory distress syndrome. An emerging body of evidence suggests a strategic role of P53 towards vascular barrier integrity. The “endothelium defender” orchestrates meticulously devised responses; to counteract toxin‐induced destructions of endothelium monolayers. The present effort seeks to further our understanding on the expanding P53 universe, discussing the most recent information regarding the involvement of that molecule in the pulmonary function.
The effect of urbanicity on internalizing disorders
Authors: Piccirillo Marilyn L. , Levinson Cheri A. , Rodebaugh Thomas L. 
Published: February 2019

AbstractObjectivesUrbanicity is a known risk factor for psychopathology, yet the term urbanicity has been used to describe multiple constructs, resulting in mixed findings across the social sciences literature.MethodsWe used the National Survey of American Life (N = 6,082) to construct a structural equation model of urbanicity and internalizing disorders. Urbanicity was measured using both neighborhood characteristics, as well as population‐based measures. We hypothesized that urbanicity would predict higher rates of internalizing disorders.ResultsNeighborhood quality (b* = 0.18,
p < 0.001) was the strongest predictor of psychopathology in the final model. Population‐based indicators were not significant predictors of internalizing disorders.ConclusionsResults suggest that neighborhood characteristics, rather than population‐based indicators, may be better predictors of psychopathology. Future research should continue to develop and examine structural interventions. Integration of allied mental health professionals may help to alleviate negative health outcomes associated with poor neighborhood quality.
Exercise with blood flow restriction: an effective alternative for the non‐pharmaceutical treatment for muscle wasting
Authors: Conceição Miguel S. , Ugrinowitsch Carlos 
Published: February 2019

AbstractSignificant muscle wasting is generally experienced by ill and bed rest patients and older people. Muscle wasting leads to significant decrements in muscle strength, cardiorespiratory, and functional capacity, which increase mortality rates. As a consequence, different interventions have been tested to minimize muscle wasting. In this regard, blood flow restriction (BFR) has been used as a novel therapeutic approach to mitigate the burden associated with muscle waste conditions. Evidence has shown that BFR per se can counteract muscle wasting during immobilization or bed rest. Moreover, BFR has also been applied while performing low intensity resistance and endurance exercises and produced increases in muscle strength and mass. Endurance training with BFR has also been proved to increase cardiorespiratory fitness. Thus, frail patients can benefit from exercising with BFR due to the lower cardiovascular and join stress compared with traditional high intensity exercises. Therefore, low intensity resistance and endurance training combined with BFR may be considered as a novel and attractive intervention to counteract muscle wasting and to decrease the burden associated with this condition.
Cell‐permeable organic fluorescent probes for live‐cell super‐resolution imaging of actin filaments
Authors: Han Yubing , Li Meihua , Zhang Meng , Huang Xiaoshuai , Chen Liangyi , Hao Xiang , Kuang Cuifang , Liu Xu , Zhang Yu‐Hui 
Published: February 2019

AbstractBACKGROUNDThe recently developed super‐resolution microscopy has been applied to characterize the nanometer‐scale structure of actin filaments in live cells, owing to its live‐cell imaging ability at sub‐diffraction resolution. However, there are still some limitations to existing live‐cell labeling methods for super‐resolution imaging of F‐actin.RESULTSA series of cell‐permeable fluorescent probes was developed for super‐resolution imaging of actin filaments with the introduction of a cell‐penetrating peptide, (rR)3R2. These probes are highly specific, multicolor available and suitable for different cell lines. With these probes, we resolve actin filaments at spatial resolution of ca 60 nm in live‐cell super‐resolution imaging.CONCLUSIONSOur results here extensively expand the types of probes for live‐cell super‐resolution imaging of F‐actin and open up a new avenue in the design of cell‐permeable fluorescent probes. © 2019 Society of Chemical Industry
Synthesis and Fungicidal Activities of 2,3‐Dimethyl‐4‐(1‐acyloxy)alkoxy‐6‐tert‐butyl‐8‐fluoroquinolines
Authors: Pei Dan , Zhang Fan , Liu Jie , Zhang Dong‐Lin , Yang Ren , Zhong Liang‐Kun , Tan Cheng‐Xia , Xu Tian‐Ming 
Published: February 2019

A series of 2,3‐dimethyl‐4‐(1‐acyloxy)alkoxy‐6‐tert‐butyl‐8‐fluoroquinolines were synthesized by 4‐(tert‐butyl)aniline as the starting material via acylation, substitution, and hydrolysis, and their structures were characterized by 1H NMR, 13C NMR, and HRMS. The fungicidal activity showed that compounds 6c, 6e, and 6f had excellent activity against Sphoaerotheca fuliginea with EC50 values of 38.62, 6.77, and 50.35 mg/L, respectively. The results suggest that this chemotype of compounds warrant further studies as promising fungicide.
Acquisition of Sexually Transmitted Infections among Women Using a Variety of Contraceptive Options: A prospective Study among High‐risk African Women
Authors: Kiweewa Flavia Matovu , Brown Elizabeth , Mishra Anu , Nair Gonasagrie , Palanee‐Phillips Thesla , Mgodi Nyaradzo , Nakabiito Clemensia , Chakhtoura Nahida , Hillier Sharon L , Baeten Jared M ,   the MTN‐020/ASPIRE Study Team
Published: February 2019

AbstractIntroductionIn many African settings, women concurrently face substantial risk of human immunodeficiency virus type 1 (HIV‐1) infection, sexually transmitted infections (STIs) and unintended pregnancies. Few studies have evaluated STI risk among users of hormonal implants and copper intrauterine devices (IUDs) although these long‐acting reversible contraceptive methods are being promoted widely because of their benefits. Within a prospective study of women at risk for HIV‐1, we compared the risk of acquisition of Chlamydia trachomatis, Neisseria gonorrhoeae and Trichomonas vaginalis among women using different contraceptive methods.MethodsMTN‐020/ASPIRE was a randomized trial of the dapivirine vaginal ring for HIV‐1 prevention among 2629 women aged 18 to 45 years from Malawi, South Africa, Uganda and Zimbabwe, of whom 2264 used copper IUDs or progestin‐based injectables or implants during follow‐up. Screening for the above STIs occurred semi‐annually.ResultsOver 3440 person‐years of follow‐up, 408 cases of C. trachomatis (incidence 11.86/100 person‐years), 196 of N. gonorrhoeae (5.70/100 person‐years) and 213 cases of T. vaginalis (6.19/100 person‐years) were detected. C. trachomatis and N. gonorrhoeae incidence were not significantly different across contraceptive methods. T. vaginalis incidence was significantly higher for copper IUD users compared to depot medroxyprogesterone acetate (DMPA), implant and norethisterone enanthate users.ConclusionAmong African women at high HIV‐1 risk, STIs were common. Risk of cervical infections did not differ across contraceptive methods. Significantly higher rates of T. vaginalis were observed among progestin‐based methods compared to copper IUD users. Overall, these findings call for more intensive routine screening for STIs, and they support current World Health Organization guidance that women should have a wide range of contraceptive options.