bluuebunny/crossref_metadata_2025_split huggingface dataset:
Is externalizing psychopathology a robust risk factor for suicidal thoughts and behaviors? A meta‐analysis of longitudinal studies
Authors: Witte Tracy K. , Gauthier Jami M. , Huang Xieyining , Ribeiro Jessica D. , Franklin Joseph C. 
Published: April 2018

AbstractObjectiveOur primary objective was to determine the potency of externalizing psychopathology as a risk factor for suicidal thoughts and behaviors (STBs).MethodWe conducted a random effects meta‐analysis of 174 prospective studies (839 unique statistical tests) examining externalizing psychopathology and suicidal thoughts and behaviors (STBs) published prior to December 8, 2017. The weighted mean odds ratios for the overall relationship between externalizing psychopathology and STBs were below 2.00 in magnitude, and all risk factor subcategories were also fairly modest predictors of STBs. Taking publication bias into account reduced the magnitude of these associations, particularly for death. Although externalizing psychopathology modestly predicts STBs, this may be due to design limitations of existing studies. Future research should employ shorter follow‐up periods, consider risk factors in combination, and focus on forms of externalizing psychopathology that have not been studied extensively.ResultsThe weighted mean odds ratios for the overall relationship between externalizing psychopathology and STBs were below 2.00 in magnitude, and all risk factor subcategories were also fairly modest predictors of STBs. Taking publication bias into account reduced the magnitude of these associations, particularly for death. Additionally, our results were mostly consistent regardless of sample age, sample severity, follow‐up length, and predictor scale.ConclusionsAlthough externalizing psychopathology modestly predicts STBs, this may be due to design limitations of existing studies. Future research should employ shorter follow‐up periods, consider risk factors in combination, and focus on forms of externalizing psychopathology that have not been studied extensively.
Specificity and affinity of neuraminic acid exhibited by canine rotavirus strain K9 carbohydrate‐binding domain (VP8*)
Authors: Mishra Rahul , Yu Xing , Kishor Chandan , Holloway Gavan , Lau Kam , von Itzstein Mark , Coulson Barbara S. , Blanchard Helen 
Published: April 2018

AbstractThe outer capsid spike protein VP4 of rotaviruses is a major determinant of infectivity and serotype specificity. Proteolytic cleavage of VP4 into 2 domains, VP8* and VP5*, enhances rotaviral infectivity. Interactions between the VP4 carbohydrate‐binding domain (VP8*) and cell surface glycoconjugates facilitate initial virus‐cell attachment and subsequent cell entry. Our saturation transfer difference nuclear magnetic resonance (STD NMR) and isothermal titration calorimetry (ITC) studies demonstrated that VP8*64‐224 of canine rotavirus strain K9 interacts with N‐acetylneuraminic and N‐glycolylneuraminic acid derivatives, exhibiting comparable binding epitopes to VP8* from other neuraminidase‐sensitive animal rotaviruses from pigs (CRW‐8), cattle (bovine Nebraska calf diarrhoea virus, NCDV), and Rhesus monkeys (Simian rhesus rotavirus, RRV). Importantly, evidence was obtained for a preference by K9 rotavirus for the N‐glycolyl‐ over the N‐acetylneuraminic acid derivative. This indicates that a VP4 serotype 5A rotavirus (such as K9) can exhibit a neuraminic acid receptor preference that differs from that of a serotype 5B rotavirus (such as RRV) and the receptor preference of rotaviruses can vary within a particular VP4 genotype.
Imidazo[1,2‐c]pyrimidin‐5(6H)‐one as a novel core of cyclin‐dependent kinase 2 inhibitors: Synthesis, activity measurement, docking, and quantum mechanical scoring
Authors: Ajani Haresh , Jansa Josef , Köprülüoğlu Cemal , Hobza Pavel , Kryštof Vladimír , Lyčka Antonín , Lepsik Martin 
Published: April 2018

AbstractWe report on the synthesis, activity testing, docking, and quantum mechanical scoring of novel imidazo[1,2‐c]pyrimidin‐5(6H)‐one scaffold for cyclin‐dependent kinase 2 (CDK2) inhibition. A series of 26 compounds substituted with aromatic moieties at position 8 has been tested in in vitro enzyme assays and shown to inhibit CDK2. 2D structure‐activity relationships have ascertained that small substituents at position 8 (up to the size of naphtyl or methoxyphenyl) generally lead to single‐digit micromolar IC50 values, whereas bigger substituents (substituted biphenyls) decreased the compounds' activities. The binding modes of the compounds obtained using Glide docking have exhibited up to 2 hinge‐region hydrogen bonds to CDK2 and differed in the orientation of the inhibitor core and the placement of the 8‐substituents. Semiempirical quantum mechanics‐based scoring identified probable favourable binding modes, which will serve for future structure‐based design and synthetic optimization of substituents of the heterocyclic core. In summary, we have identified a novel core for CDK2 inhibition and will explore it further to increase the potencies of the compounds and also monitor selectivities against other protein kinases.
Raman spectroscopy probing of redox states and mechanism of flavin coenzyme
Authors: Silwal Achut P. , Lu H. Peter 
Published: April 2018

AbstractRedox states of flavin mononucleotide (FMN) play important and regulating roles in living systems. To understand the involvement and contribution of FMN coenzyme in different biological processes, probing and characterizing of the associated FMN redox states using powerful experimental approaches are fundamental and crucial. In this study, we have generated a number of typical FMN redox states in Britton–Robinson buffer at different pH environments by applying electric potentials. The electric potential and pH‐dependent events of protonation, deprotonation, and electron transfer process of FMN are probed and characterized by surface‐enhanced Raman spectroscopy (SERS) or resonance SERS (SERRS) using silica coated silver nanoparticles (AgNP@SiO2) as SERS substrate. In addition to experimental SERS analysis, we, using density functional theory, computationally calculated Raman spectra to identify the spectral signatures of the FMN redox‐state sensitive Raman modes. Here, we have specifically probed, analyzed, and characterized signature Raman modes of different redox states of FMN coenzyme including FMNH2•+ (1508‐1510 cm−1), FMNH2 (1512‐1514 cm−1), FMN2−• (1498 cm−1), and FMN3− (1492 cm−1) and proposed the redox reaction schemes of FMN in different experimental conditions.
Boronate affinity monolithic column incorporated with graphene oxide for the in‐tube solid‐phase microextraction of glycoproteins
Authors: Wang Rong , Chen Zilin 
Published: April 2018

AbstractA poly(vinylphenylboronic acid–ethylene glycol dimethacrylate) monolithic material incorporated with graphene oxide was synthesized inside a poly(ether ether ketone) tube. This tube with boronate affinity monolith was coupled with a high‐performance liquid chromatography system through a six‐port valve to construct an online solid‐phase microextraction with high‐performance liquid chromatography system. The performance of this solid‐phase microextraction with high‐performance liquid chromatography system was demonstrated by standard glycoprotein in aqueous samples, namely, horseradish peroxidase. Some parameters that affect the extraction performance were investigated, including sampling rate, pH of sample solution, and sampling volume. Under the optimized conditions, the developed method showed high extraction efficiency toward horseradish peroxidase. The addition of graphene oxide greatly increased the extraction efficiency of boronate affinity monolith for horseradish peroxidase. The limit of detection of the proposed method was as low as 0.01 μg/mL by using ultraviolet detection. The recognition specificity was also evaluated by analyzing the mixture of bovine serum albumin (nonglycoprotein) and horseradish peroxidase. The results showed that this material could selectively extract horseradish peroxidase from the mixture, indicating its good specificity toward glycoproteins. The proposed method was further applied for analyzing rat plasma samples spiked with horseradish peroxidase. Good recovery and repeatability were obtained.
Enhancing tailings revegetation using shallow cover systems in arid environments: Hydrogeochemical, nutritional, and ecophysiological constraints
Authors: Robson Thomas , Golos Peter J. , Stevens Jason , Reid Nathan 
Published: April 2018

AbstractMineral tailings impoundments represent a rapidly growing land area requiring revegetation and a major challenge to restoring biodiversity in postmined environments. Topsoil covers are essential for revegetation, to mitigate the physical and hydrogeochemical obstacles presented by tailings. However, mines in arid and semiarid regions are often large scale and geographically isolated from resources and suffer a scarcity of suitable topsoil, stimulating interest in cost‐effective shallow cover systems incorporating minimal volumes of local material. Using a mine in arid Western Australia as a case‐study, we address challenges pertinent to using 200‐mm‐deep sandy topsoil directly overlying mildly reactive, circum‐neutral copper ore tailings. We combined detailed hydrogeochemical, ecophysiological, and nutritional data from a year‐long glasshouse experiment, to evaluate responses of native species to the model system. The model system enhanced emergence, growth, and root development by providing a physical and hydrogeochemical buffer, increasing the volume of profile with conditions favourable to water and nutrient acquisition. Plants scarcely utilised saline water from the underlying tailings, limiting growth between irrigation events, although the tailings did support minimal functional activity over timescales in the order of weeks. We identified relatively high tailings pore‐water salinity, the limited volume of geochemically benign topsoil providing storage release of uncontaminated meteoric water, and the geochemically evolving nature of the tailings cover system, as key challenges to overcome. The findings encourage further studies incorporating optimised designs and demonstrate the benefits of combining detailed, temporally resolved hydrogeochemical and ecophysiological data to adequately capture the plant–water relations existing within candidate cover systems.
Divergence, convergence, and path dependency of paraglacial adjustment of alpine lateral moraine slopes
Authors: Draebing Daniel , Eichel Jana 
Published: April 2018

AbstractLateral moraines represent important sediment storages and are one of the most dynamic areas within glacier forelands. Following glacier retreat, lateral moraine slopes adjust as their material is reworked by paraglacial processes. Previous research focused primarily on the role of gullying, however, path‐dependent slope adjustment and divergent adjustment of lateral moraine slopes are poorly understood. We report data from geomorphic and vegetation mapping, electrical resistivity tomography, soil moisture measurements, and soil texture analysis acquired in the Turtmann glacier foreland in the Swiss Alps where periglacial processes are abundant. We demonstrate that paraglacial slope adjustment shows divergent, convergent, and path‐dependent behaviour. Steep proximal moraine slopes are first eroded by gullying processes. When moraine slopes reach a threshold angle of 30°, the importance of solifluction increases, and solifluction processes subsequently rework debris flow deposits. In contrast, more gently inclined distal slopes are below the threshold angle immediately following glacier retreat and biogeomorphic feedbacks result in an earlier onset of solifluction processes. We identified two different types of turf‐banked solifluction lobes based on their temporal development and genesis. Lobe Type 1 develops on distal moraine slopes and reworks glacial till, whereas Lobe Type 2 evolves from debris flow deposits at the footslopes of the lateral moraines. Both lobe types can only be differentiated using actual shape. Overprinting by subsequent geomorphic processes can result in equifinal and convergent forms such as solifluction sheets from the Last Glaciation. Our study provides an actualistic example of how paraglacial solifluction in 90 to 150 years rapidly reworks glacial sediments.
Zwitterionic Polymer Design that Inhibits Aggregation and Facilitates Insulin Refolding: Mechanistic Insights and Importance of Hydrophobicity
Authors: Rajan Robin , Suzuki Yu , Matsumura Kazuaki 
Published: April 2018

AbstractThe synthesis of a zwitterionic polymer, poly‐sulfobetaine (poly‐SPB), which shows remarkable efficiency in the suppression of insulin aggregation is described. Hydrophobic modification of the polymer results in almost complete inhibition at very low polymer concentrations. Further studies reveal that these polymers facilitate the complete retention of insulin's secondary structure, which is otherwise lost after incubation. Refolding studies show that addition of polymers to preaggregated insulin sample leads to the refolding of denatured insulin, indicating their potential to facilitate the refolding of the denatured proteins. In addition, 2D NMR studies show that the presence of hydrophobic poly‐SPB alters the hydrophobic environment of insulin, which may suppress hydrophobic interactions that lead to aggregation. These results indicate the enormous potential of these polymers for suppressing insulin aggregation and provide significant insight into the complex mechanism of insulin protection by zwitterionic polymers.
Synergistic Effects of Beta Tri‐Calcium Phosphate and Porcine‐Derived Decellularized Bone Extracellular Matrix in 3D‐Printed Polycaprolactone Scaffold on Bone Regeneration
Authors: Kim Jun‐Young , Ahn Geunseon , Kim Changhwan , Lee Jeong‐Seok , Lee In‐Gyu , An Sang‐Hyun , Yun Won‐Soo , Kim Shin‐Yoon , Shim Jin‐Hyung 
Published: April 2018

AbstractBone‐derived extracellular matrix (ECM) is widely used in studies on bone regeneration because of its ability to provide a microenvironment of native bone tissue. However, a hydrogel, which is a main type of ECM application, is limited to use for bone graft substitutes due to relative lack of mechanical properties. The present study aims to fabricate a scaffold for guiding effective bone regeneration. A polycaprolactone (PCL)/beta‐tricalcium phosphate (β‐TCP)/bone decellularized extracellular matrix (dECM) scaffold capable of providing physical and physiological environment are fabricated using 3D printing technology and decoration method. PCL/β‐TCP/bone dECM scaffolds exhibit excellent cell seeding efficiency, proliferation, and early and late osteogenic differentiation capacity in vitro. In addition, outstanding results of bone regeneration are observed in PCL/β‐TCP/bone dECM scaffold group in the rabbit calvarial defect model in vivo. These results indicate that PCL/β‐TCP/bone dECM scaffolds have an outstanding potential as bone graft substitutes for effective bone regeneration.
Hybrid Nanoparticle–Polymer Brush Composites for Detection of Low‐Level Radiostrontium in Water
Authors: Bliznyuk Valery N. , Seliman Ayman F. , Husson Scott M. , Lvov Yuri M. , DeVol Timothy A. 
Published: April 2018

AbstractCombining extraction and scintillation properties within the same material is a relatively new approach in development of sensors for detection of radioactive elements. Structural organization of such materials at a nanoscale typically offers higher efficiency of detection and shorter response time. In this contribution, several new protocols are discussed for fabrication of stable extractive scintillating systems based on commercial Superlig 620 (SL) material with high affinity to radiostrontium. Application of hybrid organic–inorganic beads with SL particles used as core and halloysite clay nanotubes (HNT) modified with a polyvinyltoluene (PVT) brush as a permeable shell combines high‐performance extracting properties of the SL material with efficient light emission properties of the polymer scintillator. The developed SL–HNT–PVT hybrid extractive scintillating material allows real‐time detection of low‐level concentrations of radiostrontium in water. Moreover, the suggested approach is not limited to detection of Sr but can find broader application in development of chemical, biological, or radioluminescent sensors and multifunctional materials.
Water‐Resistant and Haze‐Tunable Transparent Cellulose Nanopaper for Patterned Electroluminescence Devices
Authors: Yu Ziya , Xu Zhilong , Qiao Ke , Zhang Liangmiao , Chen Zhang , Yang Xiao , Ji Aiyan , Wu Min , Gao Yanfeng 
Published: April 2018

AbstractA water‐resistant cellulose nanopaper with thermal stability (290 °C is decomposition temperature) and higher fracture strength (127 MPa maximum) than polyethylene terephthalate film is demonstrated. The extraordinary swelling ability of dimethyl sulfoxide for cellulose is used to decrease the size of cellulose fibers. A highly transparent (93% at a wavelength of 550 nm for a 100 µm thick nanopaper) and haze‐tunable (from 5.5% to 41.5% at a wavelength of 600 nm) nanopaper is obtained. Additionally, the water‐resistant cellulose nanopaper is further used as a flexible transparent substrate for patterned electroluminescence devices, revealing that this cellulose nanopaper holds great promise for electronic devices.
Theory on Capillary Filling of Polymer Melts in Nanopores
Authors: Yao Yang , Butt Hans‐Jürgen , Floudas George , Zhou Jiajia , Doi Masao 
Published: April 2018

AbstractA unified theory for the imbibition dynamics of entangled polymer melting into nanopores is presented. Experiments demonstrate the validity oft1/2dependence but contradict the predictions of the classical Lucas–Washburn equation because of the prefactor. A reversal in dynamics of capillary filling is reported with increasing polymer molecular weight. Polymer imbibition under nanometer confinement can be discussed by two mechanisms: one is the standard hydrodynamic flow, resulting in a parabolic flow profile. When the inner wall has a strong attraction to the polymer, a layer of immobile chains is created, resulting in an increase of the effective viscosity and to slower imbibition. The other is the reptation model proposed by Johner et al., leading to a plug flow profile and to the reduction in the effective viscosity (faster imbibition). The reversal in dynamics of polymer imbibition can be explained by the competition between these two mechanisms.
Twisted Linker Effect on Naphthalene Diimide‐Based Dimer Electron Acceptors for Non‐fullerene Organic Solar Cells
Authors: Oh Jae Taek , Ha Yeon Hee , Kwon Soon‐Ki , Song Seyeong , Kim Jin Young , Kim Yun‐Hi , Choi Hyosung 
Published: April 2018

AbstractNaphthalene diimide (NDI) dimers, NDI–Ph–NDI with a phenyl linker and NDI–Xy–NDI with a xylene linker, are designed and synthesized. The influence of the xylene and phenyl linkers on optical properties, electrochemical properties, morphology, and device performance is systematically investigated. Non‐fullerene organic solar cells (OSCs) with NDI–Ph–NDI show poor device efficiency due to aggregation of polymer chains and/or NDI dimers caused by the highly planar structure of NDI–Ph–NDI. Although NDI–Xy–NDI is a non‐planar structure, uniform surface morphology and weak bimolecular recombination lead to high power conversion efficiencies of 3.11%, which is the highest value in non‐fullerene OSCs with NDI small molecules.
Scaling Behavior of Nafion with Different Model Parameterizations in Dissipative Particle Dynamics Simulations
Authors: Liu Hongjun , Cavaliere Sara , Jones Deborah J. , Rozière Jacques , Paddison Stephen J. 
Published: April 2018

AbstractThe scaling behavior of the conformation and dynamics of mesoscopic models of a polymer melt, Nafion, and hydrated Nafion are investigated with dissipative particle dynamics (DPD) simulations. The scaling behavior of all studied systems generally follows the Rouse theory. For the polymer melt and dry Nafion, increase in chain stiffness slightly shrinks the polymer and leads to slower dynamics with longer polymer relaxation time. The addition of a stiff constraint to five different DPD parameterizations of hydrated Nafion expands the chain conformation, while the repulsion parameter effect on size is secondary. In contrast, softer repulsion predominately dictates faster dynamics of both the polymer and water, and stiffer chains also lead to improved water diffusion to a much lesser extent. Sufficiently long Nafion chains are required to realistically represent the relatively immobile Nafion framework and mobile proton conducting water domain. Direct quantitative cluster size analysis is advocated to characterize the water channel connectivity.
Metabolomics‐Based Dietary Biomarkers in Nutritional Epidemiology—Current Status and Future Opportunities
Authors: Brennan Lorraine , Hu Frank B. 
Published: April 2018

AbstractThe application of metabolomics in nutrition epidemiology holds great promise and there is a high expectation that it will play a leading role in deciphering the interactions between diet and health. However, while significant progress has been made in the identification of putative biomarkers, more work is needed to address the use of the biomarkers in dietary assessment. The aim of this review is to critically evaluate progress in these areas and to identify challenges that need to be addressed going forward. The notable applications of dietary biomarkers in nutritional epidemiology include 1) determination of food intake based on biomarkers levels and calibration equations from feeding studies, 2) classification of individuals into dietary patterns based on the urinary metabolic profile, and 3) application of metabolome wide–association studies. Further work is needed to address some specific challenges to enable biomarkers to reach their full potential.
Electronic circuit design for RF energy harvesting using 28 nm FD‐SOI technology
Authors: Awad M. , Benech P. , Duchamp J. M. 
Published: April 2018

AbstractIn this article, a voltage doubler circuit designed using 28 nm FD‐SOI technology has been studied for electromagnetic energy harvesting. NLVT transistor type is chosen and used as a diode for the realization of a Dickson voltage doubler circuit. Moreover, the impact of back gate polarization on circuit performance has been analyzed. The optimization of the circuit along with the measurement results has been presented (1.19 V for 1 stage at −26.3 dBm @ 2.45 GHz).
Microwave imaging of a conducting cylinder buried in a lossless half space by modified fireworks algorithm
Authors: Lee Kun‐Chou 
Published: April 2018

AbstractIn this article, the microwave imaging of a conducting cylinder buried in a lossless half space is given by the modified fireworks algorithm. The interface scattering effects are treated by the half‐space Green's function. The target shape is represented by a Fourier series with finite terms. Image reconstruction is first transformed into an optimization problem. The variables are Fourier series coefficients of the target shape. The objective function is defined by comparing scattered electric fields from the guessed and true shapes, respectively. The transformed optimization problem is then solved by the modified fireworks algorithm. Numerical results show that the proposed image reconstruction scheme is accurate, converges well, and can tolerate multiple scattering effects.