bluuebunny/crossref_metadata_2025_split huggingface dataset:
Contested discourses and culture sensitivity: Norwegian nursing students' experience of clinical placement in Nicaragua
Authors: Grudt Solveig Kirsti , Hadders Hans 
Published: December 2017

AbstractAimThe purpose of this study was to gain understanding of Norwegian students' practical experience of “culture sensitivity.”DesignUsing focus‐group interviews and individual written assignments, we draw on a Foucauldian‐inspired approach to analyse nursing students' narratives about their clinical placement in Nicaragua.MethodSeven third‐year bachelor nursing students enrolled in a clinical placement programme on the Caribbean coast in Nicaragua and participated in focus‐group interviews. Interviews were conducted prior to their departure to Nicaragua and after their return to Norway. Other sources of data included learning objectives for clinical placement, written individual assignments with students' reflections about their experiences and achievement of learning objectives.ResultsStudents expressed gradually increased awareness about the nursing discourses and power relations shaping clinical encounters throughout their learning trajectory in clinical placement. They became more aware of the politics of nursing practices through their experiences of clashes between different nursing discourses.
Effects of force fields on the conformational and dynamic properties of amyloid β(1‐40) dimer explored by replica exchange molecular dynamics simulations
Authors: Watts Charles R. , Gregory Andrew , Frisbie Cole , Lovas Sándor 
Published: December 2017

AbstractThe conformational space and structural ensembles of amyloid beta (Aβ) peptides and their oligomers in solution are inherently disordered and proven to be challenging to study. Optimum force field selection for molecular dynamics (MD) simulations and the biophysical relevance of results are still unknown. We compared the conformational space of the Aβ(1‐40) dimers by 300 ns replica exchange MD simulations at physiological temperature (310 K) using: the AMBER‐ff99sb‐ILDN, AMBER‐ff99sb*‐ILDN, AMBER‐ff99sb‐NMR, and CHARMM22* force fields. Statistical comparisons of simulation results to experimental data and previously published simulations utilizing the CHARMM22* and CHARMM36 force fields were performed. All force fields yield sampled ensembles of conformations with collision cross sectional areas for the dimer that are statistically significantly larger than experimental results. All force fields, with the exception of AMBER‐ff99sb‐ILDN (8.8 ± 6.4%) and CHARMM36 (2.7 ± 4.2%), tend to overestimate the α‐helical content compared to experimental CD (5.3 ± 5.2%). Using the AMBER‐ff99sb‐NMR force field resulted in the greatest degree of variance (41.3 ± 12.9%). Except for the AMBER‐ff99sb‐NMR force field, the others tended to under estimate the expected amount of β‐sheet and over estimate the amount of turn/bend/random coil conformations. All force fields, with the exception AMBER‐ff99sb‐NMR, reproduce a theoretically expected β‐sheet‐turn‐β‐sheet conformational motif, however, only the CHARMM22* and CHARMM36 force fields yield results compatible with collapse of the central and C‐terminal hydrophobic cores from residues 17‐21 and 30‐36. Although analyses of essential subspace sampling showed only minor variations between force fields, secondary structures of lowest energy conformers are different.
Identification of an antibody‐based immunoassay for measuring direct target binding of RIPK1 inhibitors in cells and tissues
Authors: Finger Joshua N. , Brusq Jean‐Marie , Campobasso Nino , Cook Michael N. , Deutsch Jennifer , Haag Heather , Harris Philip A. , Jenkins Earl L. , Joglekar Devika , Lich John D. , Maguire Sean , Nagilla Rakesh , Rivera Elizabeth J. , Sun Helen , Votta Bartholomew J. , Bertin John , Gough Peter J. 
Published: December 2017

AbstractTherapies that suppress RIPK1 kinase activity are emerging as promising therapeutic agents for the treatment of multiple inflammatory disorders. The ability to directly measure drug binding of a RIPK1 inhibitor to its target is critical for providing insight into pharmacokinetics, pharmacodynamics, safety and clinical efficacy, especially for a first‐in‐class small‐molecule inhibitor where the mechanism has yet to be explored. Here, we report a novel method for measuring drug binding to RIPK1 protein in cells and tissues. This TEAR1 (Target Engagement Assessment for RIPK1) assay is a pair of immunoassays developed on the principle of competition, whereby a first molecule (ie, drug) prevents the binding of a second molecule (ie, antibody) to the target protein. Using the TEAR1 assay, we have validated the direct binding of specific RIPK1 inhibitors in cells, blood and tissues following treatment with benzoxazepinone (BOAz) RIPK1 inhibitors. The TEAR1 assay is a valuable tool for facilitating the clinical development of the lead RIPK1 clinical candidate compound, GSK2982772, as a first‐in‐class RIPK1 inhibitor for the treatment of inflammatory disease.
The challenge of herbicide resistance around the world: a current summary
Authors: Peterson Mark A , Collavo Alberto , Ovejero Ramiro , Shivrain Vinod , Walsh Michael J 
Published: December 2017

AbstractHerbicide‐resistant weeds have been observed since the early years of synthetic herbicide development in the 1950s and 1960s. Since that time there has been a consistent increase in the number of cases of herbicide resistance and the impact of herbicide‐resistant weeds. Although the nature of crop production varies widely around the world, herbicides have become a primary tool for weed control in most areas. Dependence on herbicides continues to increase as global populations migrate away from rural areas to cities and the agricultural labor force declines. This increased use of herbicides and the concurrent selection pressure have resulted in a rise in cases of multiple resistance, leaving some farmers with few or no herbicide options for certain weed infestations. Global population and economic forces drive many farmer choices regarding crop production and weed control. The challenge is how to insert best management practices into the decision‐making process while addressing various economic and regulatory needs. This review endeavors to provide a current overview of herbicide resistance challenges in the major crop production areas of the world and discusses some research initiatives designed to address portions of the problem. © 2017 Society of Chemical Industry
Optimizing RNA‐seq studies to investigate herbicide resistance
Authors: Giacomini Darci A , Gaines Todd , Beffa Roland , Tranel Patrick J 
Published: December 2017

AbstractTranscriptomic profiling, specifically via RNA sequencing (RNA‐seq), is becoming one of the more commonly used methods for investigating non‐target site resistance (NTSR) to herbicides due to its high throughput capabilities and utility in organisms with little to no previous sequence information. A review of the weed science RNA‐seq literature revealed some basic principles behind generating quality data from these types of studies. First, studies that included more replicates per biotype and took steps to control for genetic background had significantly better control of false positives and, consequently, shorter lists of potential resistance genes to sift through. Pooling of biological replicates prior to sequencing was successful in some cases, but likely contributed to an overall increase in the false discovery rate. Although the inclusion of herbicide‐treated samples was common across most of the studies, it ultimately introduced difficulties in interpretation of the final results due to challenges in capturing the right sampling window after treatment and to the induction of stress responses in the injured herbicide‐sensitive plants. RNA‐seq is an effective tool for NTSR gene discovery, but careful consideration should be given to finding the most powerful and cost‐effective balance between replicate number, sequencing depth and treatment number. © 2017 Society of Chemical Industry
Dynamic Light Scattering and FTIR Spectroscopic Investigations on the Reverse Micelles Produced During the Extraction of Nd(III) and Nitric Acid in Tetra Ethylhexyl Diglycolamide
Authors: Swami Kantamani Rama , Suneesh Asokan Sudha , Kumaresan Radhakrishnan , Venkatesan Konda Athmaram , Antony Malpan Pailo 
Published: December 2017

AbstractThe aggregation behaviour of reverse micelles, formed during the extraction of neodymium nitrate and nitric acid, in an organic phase composed of tetra‐bis(2‐ethylhexyl) diglycolamide (TEHDGA) in n‐dodecane (n‐DD) was studied, at various temperatures. The organic phase, 0.2 M TEHDGA/n‐DD was equilibrated with aqueous solutions of nitric acid in the presence and absence of neodymium nitrate. At certain nitric acid and Nd(III) concentration in aqueous phase, the organic phase underwent splitting into two phases, with top phase known as “diluent rich phase”, the other one known as “third phase” or “metal ion rich phase”. Dynamic light scattering, attenuated total reflectance (ATR) ‐Fourier transform infrared (FTIR) spectroscopy and Raman spectroscopic methods were employed for probing the size and distribution of aggregates present in the organic phase before and after splitting. The investigations revealed that the aggregates, formed in organic phase, interact efficiently with the extracted metal ions and these interactions increased with increase in the concentration of nitric acid and neodymium nitrate in organic phase. In addition, the interaction among the reverse micelles in third phase appear to be very strong as compared to that observed in the organic phase before third phase formation, and such strong interactions resulted in a merger and narrow distribution of reverse micelles in third phase.
A Novel Copper Complex of Proline‐Based Mono(phenol) Amine Ligand (Hlpro) Immobilized in SBA‐15 as a Model Catalyst of Galactose Oxidase
Authors: Saberikia Iraj , Safaei Elham , Karimi Babak , Lee Yong‐Ill 
Published: December 2017

AbstractA novel copper complex of proline‐based mono(phenol) amine (HLPro) immobilized in SBA‐15 as a model of Galactose oxidase enzyme has been synthesized and characterized using transmission electron microscopy (TEM), X‐ray photoelectron spectroscopy (XPS), Fourier‐transform infrared (FT‐IR), N2 adsorption–desorption, thermogravimetric analysis (TGA), and elemental analysis. The immobilized complex was found to heterogeneously catalyse the aerobic oxidation of alcohols under mild conditions to the corresponding aldehydes in the presence of TEMPO and in the absence of any additive such as base. The catalyst was easily recovered by a simple filtration and was subsequently reused in the four reaction cycles without considerable loss of activity.
Investigations of Microstructure and Dc Conductivity of V2O5‐Nd2O3 Glass Nanocomposites
Authors: Das Anindya Sundar , Roy Madhab , Roy Debasish , Kar Tanusree , Rath Satchidananda , Bhattacharya Sanjib 
Published: December 2017

AbstractThe present work points to highlight the structural, optical and electrical properties of some semiconducting V2O5‐Nd2O3 glass nanocomposites. Structural properties such as identification of nano phases in the glassy matrix and crystallite sizes have been evaluated using X‐ray diffraction (XRD) and transmission electron microscopy (TEM). Fourier transform infrared spectroscopy (FT‐IR) and Raman spectroscopy have been used to find out nature of bonding in the as‐synthesized glass nanocomposites. Optical properties have been analyzed using Ultraviolet‐visible (UV‐Vis) absorption spectroscopy and we have studied Dc electrical conductivity at various temperatures. The crystallite sizes of V2O5 and NdVO4 embedded in the present glassy systems are found to increase with V2O5 content. Stretching vibration of νs (VO4), Nd–O bond, V–O bond, orthorhombic phase of V2O5 are present in the present system. The small‐polaron hopping theory could adequately explain the temperature dependence of the electrical Dc conductivity. It is observed that the fundamental absorption edge and cutoff wavelength shift towards red with the increase of V2O5 content. The fundamental UV‐Vis absorption spectra have been analyzed, which indicates indirect band transitions. It is also observed that optical band gap energy decreases with increase in concentration of V2O5 due to structural changes.
Lead Iodide Microcrystals in Carbon Composite Matrix for Low Power Photodetectors
Authors: Madhusudanan Sreejith P. , Krishna Orsu Vamsi , Mohanta Kallol , Batabyal Sudip K. 
Published: December 2017

AbstractLead iodide (PbI2) microcrystals based photodetector were developed by a simple printing method. Carbon composite paste was fabricated by homogeneous mixing of PbI2 microcrystals, commercial graphite powder, and activated carbon. Composite carbon paste was printed on top of thermally deposited Al electrodes on the glass substrates to fabricate the photodetector. Controlled variation of PbI2 loading established that 10% PbI2 in carbon composite is the best candidate for the highest On/Off ratio. The photo generated current was manifested by the defect present in the graphite and the PbI2 microcrystals interfaces. The effect enables us to develop cost effective printing based photodetector which can work in very low voltage region for low‐power printed electronics.
Effect of Different Chemical Species on the Behavior of Tyrosine in a Typical BR Oscillatory Chemical Reaction
Authors: Dar Farhad Nisar A. , Peerzada Ghulam M. , Ganaie Nadeem B. , Rashid Sna 
Published: December 2017

AbstractEffect on the behavior of Tyrosine through a malonic acid (MA) based Briggs‐Rauscher (BR) oscillatory system was studied in order to understand the mechanistic details of thyroid metabolism in vitro, specifically the iodination of tyrosine. It was observed that the present BR system employing tyrosine as a main additive and malonic acid as substrate provides an example of entrainment oscillations, in which malonic acid is responsible for oscillations and in presence of tyrosine, the system showed different oscillatory behavior. The effects of various other chemical species such as SeO2, KSCN, KNO3, KBr and Fe(III) on the tyrosine in this malonic acid based BR system are studied. The study was supported by UV‐Visible spectrophotometry to study the interactions of these chemical species with Dushmann reaction, which is one of the important reaction steps in BR reaction mechanism, in order to investigate the key factors responsible for tyrosine iodination responsible for thyroxin formation. Needless to mention that, all the aforesaid chemical species have due role in normal thyroid metabolism in vivo and as such, the present BR system containing tyrosine as main (first) additive can help in understanding of thyroid metabolism.
One‐Pot Synthesis of Tetrahydropyridine Derivatives: Liquid Salt Catalyst vs Glycolic Acid Promoter. Structure and Antiradical Activity of the New Products
Authors: Petrović Zorica D. , Simijonović Dušica , Đorović Jelena , Milovanović Vesna , Marković Zoran , Petrović Vladimir P. 
Published: December 2017

AbstractDiethanolammonium hydrogensulfate (DHS), as a liquid salt, and glycolic acid (GA) were used for the synthesis of highly functionalized tetrahydropyridines (THPs). Due to the simplicity of the reaction procedure, excellent diastereoselectivity, and catalyst regeneration, these green protocols may be considered as an attractive approach for the preparation of THPs. Unlike numerous reported reactions for the synthesis of THPs that last for hours and with heating, GA‐promoted reactions finished mostly within an hour and at room temperature. As improvement to other organocatalysed reactions for the synthesis of THPs with moderate yields, this protocol provided good to excellent yields. Application of these procedures produced three vanillic compounds reported here for the first time. Their structure was elucidated based on experimental and theoretical data (IR, 1H NMR, 13C NMR, NOESY, UV‐Vis, and DFT). Experimental and theoretical antioxidant evaluation of these compounds has been carried out. DFT thermodynamical parameters supported experimental results that newly synthesized THPs deserve considerable attention as potent radical scavengers.
Influence of Ionic Liquid Solvation on Various Size Homo‐ and Heterometallic Clusters [M’mMn] (M and M’= Au, Cu, Ag, Ni, Pd and Pt)
Authors: Pillegowda Manohar , Periyasamy Ganga 
Published: December 2017

AbstractSolvent layer around nanoclusters(NCs) play an important role to control their shape, size and morphology along with physical and chemical properties. Solvent molecules interact with NCs either by forming strong bond or via weak interaction. Hence, to understand the binding mode of solvent towards nanoclusters become vital at microscopic level. In this regard, we have explored IL solvation on various nanoclusters using DFT based method. The computations show that metal clusters can be solvated without interfering their geometry using ionic liquid (IL) as solvent. The shape of the clusters defines the amount of ILs involved in binding. The anionic components of IL [OAc] have ability to form a strong bond, while cationic component [C1mim] bind through electrostatic interactions with metal cluster. Increase in size of the nanoclusters from [M2] to [M6] strengthen the binding mode of IL except in [M5] cluster, due to its geometry. Among, the cluster studied here [M6] interacts intensely with IL and forms delocalized orbital between metal cluster and IL. Further, the polarized heterometallic clusters have higher binding energy than the corresponding homo metallic cluster. Irrespective of composition, size and shape, the clusters studied in this work have been stabilized in IL with considerable amount of charge transfer from IL to metal cluster. Further, the calculated HOMO‐LUMO gaps indicate increase in chemical stability in IL environment.
The Discovery of the Effect of closo‐Borate on Amyloid Fibril Formation
Authors: Kuperman Marina , Chernii Svitlana , Varzatskii Oleg , Zhdanov Andrey , Bykov Alexander , Zhizhin Konstantin , Yarmoluk Sergiy , Kovalska Vladyslava 
Published: December 2017

AbstractThe activity of the boron cluster ‐ closo‐borates in protein amyloid fibrillization was first studied. For this, we explored the effect of dianionic compound [B12H12]2− on aggregation of amyloidogenic protein insulin by the circular dichroism spectroscopy, amyloid‐sensitive fluorescent dye based assay and transmission electron microscopy. It was shown that the presence of closo‐borate during fibrillization reaction speeds up the loss of the protein α‐helical structure. This effect of dianionic compound on protein fibrillization process is concentration‐dependent. Closo‐borate at low concentration (10 mM) enhances the intensity of insulin fibrillization, while at higher concentration (50 mM, 100 mM) fluorescent assay showed the decrease of this intensity. The morphology of fibrils formed in the presence of the boron dianion differs from that of free insulin, namely they are less branched and have the bigger diameter. Besides, closo‐borate‐induced fibrils have strong proneness to stick together forming large aggregated clots.
Role of Degree of Oxidation of Graphene Oxide on Biginelli Reaction Kinetics
Authors: Dhopte Kiran B. , Zambare Rahul S. , Patwardhan Anand V. , Nemade Parag R. 
Published: December 2017

AbstractThe effect of varying degree of oxidation of graphene oxide on its catalytic activity for synthesis of dihydropyrimidinones via Biginelli reaction is investigated. Graphene oxide with varying degree of oxidation (GO‐x) was synthesized, and characterized to confirm the change in functional groups on GO surface with different amount of oxidizing agent used during synthesis. An increase in amount of oxidant, increases the percentage of oxygen in GO‐x, increasing the d‐spacing and thus enhancing the exfoliation of GO‐x. The carboxylic acid groups increase with increasing oxidation degree, while the proportion of hydroxyl groups is almost the same. GO‐x shows excellent activity towards catalysing Biginelli reaction. An increase in oxygen content in GO‐x improves its catalytic activity, which is attributed to the increased acidity in GO‐x. Reaction kinetics imply a second order reaction. GO‐x shows excellent recyclability with only marginal loss in activity on recycle.
Fabrication of Porous Silicon Carbide Ceramics with High Electromagnetic Interference Shielding Effectiveness
Authors: Liu Chenyu , Qiu Zechao , Yu Dawei , Kirk Donald W. , Xu Yongjun 
Published: December 2017

AbstractPorous SiC ceramics were synthesized for its potential electromagnetic interference (EMI) shielding application, with the utilization of a biomass material as the porous template and carbon precursor. A silicon infiltration process was conducted in the temperature range of 1400–1600 °C with the absence of any catalyst to produce the porous SiC ceramics. The porous SiC ceramics were characterized using scanning electron microscope, X‐ray diffraction and microwave vector network analyses. It was found that significantly higher EMI shielding effectiveness can be achieved using a higher silicon infiltration temperature. The porous SiC ceramics synthesized at 1600 °C possess the highest shielding value, reaching 60 dB at a high frequency range from 10 GHz to 18 GHz. It was proposed that the porous structure of the SiC can increase EM shielding performance by attenuating EM waves via multiple internal reflection and transmission of the incident and re‐reflected waves through the SiC walls of the porous network.
Light‐Driven Proton Release of Spirobenzopyran‐Derived Protonated Photomerocyanine in Cyclodextrin Aqueous Solution
Authors: Takeshita Tatsuya , Yano Atsushi , Hara Michihiro 
Published: December 2017

AbstractProtonated photomerocyanine (PMCH), which is a ring‐opening isomer of spirobenzopyran, functions as a metastable‐state photoacid (PAH) driven by blue or visible light. Enhancement of the proton photodissociation efficiency and thermal stability of the deprotonated isomer facilitates pH adjustments and control by light irradiation. In this article, we report the proton photodissociation of PMCH based on 1,3,3‐trimethylindolino‐8’‐methoxybenzopyrylospiran (1) in an aqueous cyclodextrin (CD) solution. In the aqueous solution, the spirobenzopyran form of 1 underwent a spontaneous ring‐opening reaction and formed the thermodynamically stable PMCH form of 1 (PMCH‐1). After a laser flash at 355 nm, the photomerocyanine form of 1 (PMC‐1) was generated by proton photodissociation from the singlet excited state of PMCH‐1. The quantum yield of the proton photodissociation was changed by the stoichiometry or binding constant of the inclusion complex between PMCH‐1 and CD. Additionally, the encapsulation effects of CD inhibited the re‐protonation of PMC‐1. We conclude that these findings are useful for pH adjustment and control using PAHs based on PMCH.