bluuebunny/crossref_metadata_2025_split huggingface dataset:
Behavioral and neurophysiological abnormalities during cued continuous performance tasks in patients with mild traumatic brain injury
Authors: Zhao Weixiang , Wu Ruhong , Wang Suhong , Qi Haihui , Qian Yitao , Wang Suinuan 
Published: April 2018

AbstractObjectiveThis study's aim was to investigate the features and neural mechanisms of sustained attention in patients with mild traumatic brain injury (mTBI) by comparing and analyzing neuropsychological, behavioral, event‐related potentials, and event‐related desynchronization and synchronization between mTBI patients and healthy controls.MethodsTwenty mTBI patients with mTBI and 20 healthy controls underwent the Mini‐Mental State Examination (MMSE) and a cued continuous performance task (AX‐CPT). Neuropsychological, behavioral, and electroencephalogram (EEG) data were collected and analyzed.ResultsThere were significant differences between the mTBI group and the control group in their MMSE total scores, attention, and calculation, but there were no significant differences in orientation, memory, recall, and verbal scores. There were significant differences between the mTBI group and the control group in hitting the number, reaction time, and the number of errors of omission, but there were no significant differences in the number of false errors. The amplitude of Go‐N2 and Nogo‐N2 was significantly smaller for the mTBI group than that for the control group. The amplitude of Go‐P3 was significantly smaller for the mTBI group than that for the control group, but not for the amplitude of Nogo‐P3. The Go‐αERS were significantly less for the mTBI group than for the control group during the 0–200 ms after the stimulus onset. The Go‐αERD and Nogo‐αERD were significantly less for the mTBI group than for the control group during the 600–1,000 ms after the stimulus onset. The Go‐βERS were significantly less for the mTBI group than for the control group during the 200–400 ms after the stimulus onset. There were no significant differences in the Nogo‐αERS and Nogo‐βERD/ERS between the mTBI group and the control group.ConclusionPatients with mTBI exhibited impairments in sustained attention and conflict monitoring, while response inhibition may have been spared.
Teaching modern power electronics—Computerized test stand design
Authors: Bonisławski Michał , Hołub Marcin 
Published: April 2018

AbstractA unified, computer controlled, modern system design for power electronics experimental laboratory is presented. Proposed test stand configuration simplifies the introductory part of the lab and maximizes the time that the students can use for experimental measurements and calculations. Hardware test stands (not only simulations) have a common pre‐configuration for all exercises so that students do not need to learn the system design and measurement configuration of every particular test stand. Clear measurement setup and momentary and average electrical parameter readings are done using a computer user interface. Hardware and software protection loops are foreseen so the number of errors of the hardware during testing is minimized, simple arrangement minimizes errors during test preparation.
siRNA Modified with 2′‐Deoxy‐2′‐C‐methylpyrimidine Nucleosides
Authors: Dellafiore María , Aviñó Anna , Alagia Adele , Montserrat Javier M. , Iribarren Adolfo M. , Eritja Ramon 
Published: April 2018

Abstract(2′S)‐2′‐Deoxy‐2′‐C‐methyluridine and (2′R)‐2′‐deoxy‐2′‐C‐methyluridine were incorporated in the 3′‐overhang region of the sense and antisense strands and in positions 2 and 5 of the seed region of siRNA duplexes directed against Renilla luciferase, whereas (2′S)‐2′‐deoxy‐2′‐C‐methylcytidine was incorporated in the 6‐position of the seed region of the same constructions. A dual luciferase reporter assay in transfected HeLa cells was used as a model system to measure the IC50 values of 24 different modified duplexes. The best results were obtained by the substitution of one thymidine unit in the antisense 3′‐overhang region by (2′S)‐ or (2′R)‐2′‐deoxy‐2′‐C‐methyluridine, reducing IC50 to half of the value observed for the natural control. The selectivity of the modified siRNA was measured, it being found that modifications in positions 5 and 6 of the seed region had a positive effect on the ON/OFF activity.
6‐Minute walk test predicts prolonged hospitalization in patients undergoing transcatheter mitral valve repair by MitraClip
Authors: Saji Mike , Katz Marc R. , Ailawadi Gorav , Welch Timothy S. , Fowler Dale E. , Kennedy Jamie L.W. , Bergin James D. , Kuntjoro Ivandito , Dent John M. , Ragosta Michael , Lim D. Scott 
Published: April 2018

AbstractBackgroundThe 6‐minute walk test (6MWT) is a simple functional test that can predict exercise capacity and is widely employed to assess treatment outcomes. Although mortality with transcatheter mitral valve repair (TMVr) using the MitraClip (Abbott Vascular, Menlo Park, CA) is significantly less than for open mitral valve surgery in high‐risk patients, identifying which patient will benefit the most from TMVr remains a concern. There are limited prognostic metrics guiding patient selection and, no studies have reported relationship between prolonged hospitalization and 6MWT. This study aimed to determine if the 6MWT can predict prolonged hospitalization in patients undergoing TMVr by MitraClip.MethodsWe retrospectively reviewed 162 patients undergoing 6MWT before TMVr. Patients were divided into three groups according to the 6MWT distance (6MWTD) using the median (6MWTD ≥219 m, 6MWTD <219 m, and Unable to Walk). Multivariate logistic regression model was applied to select the demographic characteristics that were associated with the prolonged hospitalization defined as total length of stay ≥4 days in the study.ResultsWe found that 6MWT (odds ratio 3.64, 95% confidence interval 2.03–6.52, P < 0.001) was independently associated with prolonged hospitalization after adjustment in multivariate analysis. Area under the curve of 6MWT for predicting prolonged hospitalization was 0.79 (95% confidence interval 0.72–0.85).ConclusionsOur study demonstrates that 6MWT was independently associated with prolonged hospitalization in patients with TMVr, and has a good discriminatory performance for predicting prolonged hospitalization.
Quantitative Mapping of Nanoscale Chemical Dynamics in Sub‐Sampled Operando (S)TEM Images using Spatio‐Temporal Analytics
Authors: Stanfill Bryan A. , Reehl Sarah M. , Johnson Margaret C. , Browning Nigel D. , Mehdi B. Layla , Caragea Petruta C. , Bramer Lisa M. 
Published: April 2018

AbstractOne of the main limitations in the use of operando scanning transmission electron microscopes to study dynamic chemical processes is the effect of the electron beam on the kinetics of the reaction being observed. Here we demonstrate that a flexible Gaussian mixture model can be used to extract quantitative information directly from sub‐sampled images, that is, images in which not all the pixels in the image are illuminated with the beam. The use of this method is demonstrated on the growth of silver (Ag) nanoparticles in an aqueous solution and the charge/discharge cycle of a lithium battery. In both videos, the imaged chemical reactions can be accurately quantified for sub‐sampling levels down to 1 %. In addition, our analysis of the Ag nucleation video sheds new light on the interplay between heterogeneous and homogeneous nucleation dynamics. Performing operando imaging using a small fraction of the pixels means that the observations can significantly reduce the effect of the beam, automatically increase the imaging speed and decrease the total data transfer rate required. Such new software capabilities offer the potential to significantly widen the application of operando hardware approaches to study nanoscale dynamics in materials.
Selective Aerobic Oxidation of Alcohols with NO3− Activated Nitroxyl Radical/Manganese Catalyst System
Authors: Lagerblom Kalle , Keskiväli Juha , Parviainen Arno , Mannisto Jere , Repo Timo 
Published: April 2018

AbstractA homogeneous Mn(NO3)2/2,2,6,6‐tetramethylpiperidin‐1‐yl)oxyl/2‐picolinic acid catalyst system is highly active and versatile for the selective aerobic oxidation of alcohols (2,2,6,6‐tetramethylpiperidin‐1‐yl)oxyl=TEMPO, 2‐picolinic acid=PyCOOH). The catalytic method enables near quantitative conversion of various primary alcohols to the respective aldehydes using a very simple reaction setup and workup. This study presents findings on the catalyst stability and mechanisms of deactivation. The results show that NO3− plays a crucial catalytic role in the reaction as a source of oxygen activating NOx species. Yet, disproportionation of NO3− to the volatile NO2 during the reaction leads to catalyst deactivation under open air conditions. Catalyst deactivation through this route can be overcome by adding a catalytic amount of nitrate salt, for example NaNO3 into the reaction. This stabilizes the Mn(NO3)2/TEMPO/PyCOOH catalyst and enables oxidation of various primary alcohols to the respective aldehydes using low catalyst loadings under ambient conditions. Secondary alcohols can be oxidized with a modified catalyst utilizing sterically accessible nitroxyl radical 9‐azabicyclo[3.3.1]nonane N‐oxyl (ABNO) instead of TEMPO. At the end of the alcohol oxidation, pure carbonyl products and the reusable catalyst can be recovered simply by extracting with organic solvent and dilute aqueous acid, followed by evaporation of both phases.
Enhanced Activation of Coordinated Dinitrogen with p‐Block Lewis Acids
Authors: Simonneau Antoine , Etienne Michel 
Published: April 2018

AbstractThis Concept article highlights recent research on Lewis acid adducts of dinitrogen complexes, including our contributions. After a reminder of the early works, it is demonstrated that such kind of species offers a new platform for dinitrogen functionalization as well as valuable models for the understanding of elementary steps of (bio)catalytic cycles. When possible, parallels regarding this mode of activation from the orbital point of view are drawn between the different systems discussed herein.
Binding of Lanthanide Complexes to Histidine‐Containing Peptides Probed by Raman Optical Activity Spectroscopy
Authors: Brichtová Eva , Hudecová Jana , Vršková Nikola , Šebestík Jaroslav , Bouř Petr , Wu Tao 
Published: April 2018

AbstractLanthanide complexes are used as convenient spectroscopic probes for many biomolecules. Their binding to proteins is believed to be enhanced by the presence of histidine, but the strength of the interaction significantly varies across different systems. To understand the role of peptide length and sequence, short histidine‐containing peptides have been synthesized (His‐Gly, His‐Gly‐Gly, His‐Gly‐Gly‐Gly, Gly‐His, Gly‐His‐Gly, His‐His, and Gly‐Gly‐His) and circularly polarized luminescence (CPL) induced at the [Eu(dpa)3]3− complex has been measured by means of a Raman optical activity (ROA) spectrometer. The obtained data indicate relatively weak binding of the histidine residue to the complex, with a strong participation of other parts of the peptide. Longer peptides, low pH, and a histidine residue close to the N‐peptide terminus favor the binding. The binding strengths are approximately proportional to the CPL intensity and roughly correlate with predictions based on molecular dynamics (MD) simulations. The specificity of lanthanide binding to the peptide structure and its intense luminescence and high optical activity make the ROA/CPL technique suitable for probing secondary and tertiary structures of peptides and proteins.
Hydrogenation of Multiple Bonds by Geminal Aminoborane‐Based Frustrated Lewis Pairs
Authors: Yepes Diana , Jaque Pablo , Fernández Israel 
Published: April 2018

AbstractThe hydrogenation reaction of multiple bonds that is mediated by geminal aminoborane‐based frustrated Lewis pairs (FLPs) has been explored by means of density functional theory calculations. It was found that the release of the activated dihydrogen occurred in a concerted, yet highly asynchronous, manner. The physical factors that control the transformation were quantitatively described in detail by using the activation strain model of reactivity in combination with the energy decomposition analysis method. This approach suggested a cooperative double hydrogen‐transfer mechanism, which involves the initial migration of the protic (N)H followed by the nucleophilic attack of the (B)H hydride to the carbon atom of the multiple bond. The influence of both the substituents directly attached to the boron atom of the initial FLP and the nature of the multiple bond on the transformation was also investigated.
Coordination Complexes of Titanium(IV) and Indium(III) Phthalocyanines with Carbonyl‐Containing Dyes: The Formation of Singly Bonded Anionic Squarylium Dimers
Authors: Konarev Dmitri V. , Kuzmin Alexey V. , Khasanov Salavat S. , Fatalov Alexey M. , Yudanova Evgenia I. , Lyubovskaya Rimma N. 
Published: April 2018

AbstractReduction methods for the preparation of coordination complexes of titanium(IV) and indium(III) phthalocyanines (Pc) with organic dyes such as indigo, thioindigo, and squarylium dye III (SQ) have been developed, which allow one to obtain crystalline {cryptand(K+)}{(cis‐indigo‐O,O)2−TiIV(Pc2−)}(Cl−)⋅C6H4Cl2 (1), {cryptand(K+)}{(cis‐thioindigo‐O,O)2−InIII(Pc2−)}−⋅C6H4Cl2 (2), and {cryptand(K+)}{[(SQ)2‐O,O]2−InIII(Pc2−)}−⋅3.5 C6H4Cl2 (3) complexes. The formation of these complexes is accompanied by the reduction of the starting dyes to the anionic state. Transition of trans‐indigo or trans‐thioindigo to the cis conformation in 1 and 2 provides coordination of both carbonyl oxygen atoms of the dye to TiIVPc or InIIIPc. SQ is reduced to the radical anion state and forms unusual diamagnetic singly bonded (SQ−)2 dimers in 3. These dimers have two closely positioned carbonyl oxygen atoms coordinated to InIIIPc. Dianionic Pc2− macrocycles have been found in 1–3. The complexes contain two chromophore molecules at one metal center. However, their optical spectra are defined mainly by absorption bands of the metal phthalocyanines.
Rapid Electron Transfer of Stacked Heterodimers of Perylene Diimide Derivatives in a DNA Duplex
Authors: Takada Tadao , Ishino Syunya , Takata Ami , Nakamura Mitsunobu , Fujitsuka Mamoru , Majima Tetsuro , Yamana Kazushige 
Published: April 2018

AbstractThe preparation of homo‐ and heterocomplexes composed of the parent perylene diimide (PH) and pyrrolidine‐substituted perylene diimide (PN) in DNA and rapid electron transfer in these complexes, which has been analyzed by steady‐state fluorescence and femtosecond transient absorption measurements, have been demonstrated. The DNA molecules possessing PH and PN were prepared through a recently developed method that involved the reaction of enzymatically generated abasic sites with the amino groups of the perylene diimide molecules, through which these molecules can be incorporated as base surrogates within the DNA base stack. Melting temperature analysis showed that the PH and PN monomers, and their homo‐ and heterodimers, contribute to the stabilization of the DNA duplex, and is comparable to that of natural base pairs. Fluorescence measurements showed that PH in a single‐stranded oligopyrimidine showed a strong fluorescence, whereas the fluorescence of PH was completely quenched upon pairing with PN (PH/PN) through duplex formation. The transient absorption measurements showed that a rapid electron‐transfer reaction in the stacked PH/PN heterodimer occurred on a sub‐picosecond timescale, which allowed highly efficient fluorescence quenching. The PH/PN pair, which served as a fluorophore and quencher, were utilized to design molecular beacon probes with a high signal/noise ratio. The PH/PN pair was also capable of forming a stable, stacked dimer structure and induced rapid electron transfer that could serve as a good signal reporter for fluorescent nucleic acid detection.
Enantiospecific Total Syntheses of (+)‐Hapalindole H and (−)‐12‐epi‐Hapalindole U
Authors: Dethe Dattatraya H. , Das Saikat , Kumar Vijay B. , Mir Nisar A. 
Published: April 2018

AbstractEnantiospecific total syntheses of (+)‐hapalindole H and (−)‐12‐epi‐hapalindole U as well as the formal syntheses of (+)‐hapalindole Q and (+)‐12‐epi‐fischerindole U isothiocyanate have been described. Key steps of our approach feature expedient, highly regio‐ and diastereoselective Lewis acid catalyzed Friedel–Crafts reaction of indole with cyclic allylic alcohols and intramolecular reductive Heck reaction. Efficiency of the synthetic route also relies on an alkynyl aluminate complex driven regioselective nucleophilic epoxide opening from a sterically hindered site.
Diastereoselective Synthesis of Highly Substituted, Amino‐ and Pyrrolidino‐Tetrahydrofurans as Lead‐Like Molecular Scaffolds
Authors: Wales Steven M. , Merisor Elena G. , Adcock Holly V. , Pearce Christopher A. , Strutt Ian R. , Lewis William , Hamza Daniel , Moody Christopher J. 
Published: April 2018

AbstractA series of highly substituted tetrahydrofurans (THFs), decorated with modifiable 2‐aryl, 3‐carboxy and 4‐amino substituents, has been prepared for biological evaluation within the European Lead Factory. Diastereoselective reductive amination of pre‐functionalised 4‐oxofurans, readily prepared from cinnamate esters via oxa‐Michael/Dieckmann annulation, provided the requisite THF cores on gram scale with three contiguous stereocentres, including full substitution at C‐3. In a second series, a pyrrolidine ring was fused to the same oxofuran scaffold via an intramolecular reductive amination, inverting the configuration at C‐4 relative to the other ring substituents. The resulting compounds, which displayed desirable physical properties as lead‐like scaffolds, were derivatised into a small library of 24 compounds, demonstrating their ability to serve as starting points for drug discovery. Ultimately, this chemistry enabled the preparation of 1948 THF‐containing compounds for inclusion in the Joint European Compound Library.
Saturated Heterocyclic Aminosulfonyl Fluorides: New Scaffolds for Protecting‐Group‐Free Synthesis of Sulfonamides
Authors: Zhersh Sergey A. , Blahun Oleksandr P. , Sadkova Iryna V. , Tolmachev Andrey A. , Moroz Yurii S. , Mykhailiuk Pavel K. 
Published: April 2018

AbstractCyclic saturated aminosulfonyl fluorides were synthesized as their HCl salts. The compounds were found to be stable upon storage and could be used for the protecting‐group‐free synthesis of sulfonamides. In the presence of the −SO2F group, the nitrogen atom could be modified by means of acylation, arylation, or reductive amination to give products that have high potential for the synthesis of bioactive compounds.
Deep‐Ultraviolet Nonlinear Optical Crystal Cs2Al2(B3O6)2O: A Benign Member of the Sr2Be2(BO3)2O Family with [Al2(B3O6)2O]2− Double Layers
Authors: Fang Zhi , Jiang Xingxing , Duan Meihong , Hou Zhanyu , Tang Changcheng , Xia Mingjun , Liu Lijuan , Lin Zheshuai , Fan Feidi , Bai Lei , Chen Chuangtian 
Published: April 2018

AbstractFor the explorations of deep ultraviolet (DUV) nonlinear optical (NLO) borates, a type of important optoelectronic material, the (BO3)3− group has been long regarded as the sole microscopic optically‐active unit, and toxic Be‐containing raw materials are frequently‐adopted. Herein, a new DUV NLO crystal, Cs2Al2(B3O6)2O (CABO), was designed and synthesized by simultaneously replacing the (BO3)3− groups and Be2+ cations for (B3O6)3− units and Al3+ cations in Sr2Be2(BO3)2O, which possesses a favorable structure, through a chemical co‐substitution approach. CABO exhibits a considerable DUV NLO capability because of the wide band gap and large birefringence originating from the [Al2(B3O6)2O]2− double layers. Remarkably, CABO melts congruently and does not contain the toxic beryllium, which is favorable for bulk‐size crystal growth and practical applications.
Scale‐Up of Innovative Honeycomb Reactors for Power‐to‐Gas Applications – The Project Store&Go
Authors: Schollenberger Dominik , Bajohr Siegfried , Gruber Manuel , Reimert Rainer , Kolb Thomas 
Published: April 2018

AbstractThe German “Energiewende” is heavily based on electric power and, therefore, requests solutions to serve non‐electric energy uses and to store electric energy in large scale. Synthetic natural gas (SNG) produced with hydrogen from water electrolysis and with CO2 from mainly renewable sources is one approach. For the catalytic SNG production efficient removal and utilization of the reaction heat is the main issue. A metallic honeycomb‐like carrier‐based reactor proved in laboratory scale to match this challenge. This type of reactor shows good heat conductivity and enables optimized operation. In the EU‐funded project Store&Go the honeycomb methanation is scaled up to MW‐scale. For this, heat transfer and kinetic data were determined experimentally and used in CFD calculations for the reactor design. Finally a SNG plant with 1 MW feed‐in will be built and fully integrated operation will be shown.
Chemische Reaktionen in Bubble‐Tea‐Bällchen
Authors: Ducci Matthias , Syskowski Sabrina 
Published: April 2018

Zusammenfassung und AusblickEs werden verschiedene chemische Reaktionen vorgestellt, die im Innern von Alginatbällchen ablaufen. Hierzu werden einige der Reaktanden in die Alginatbällchen bei deren Herstellung eingeschleust, andere diffundieren nachträglich durch den Calciumalginatmantel, der den Bällchen ihre Stabilität verleiht. Auf diese Weise wird zum Beispiel der Zusammenhang zwischen dem Redoxverhalten einiger Redoxsysteme und dem pH‐Wert in beeindruckender Weise sichtbar gemacht. Darüber hinaus treten faszinierende Fluoreszenz‐ und Chemolumineszenzeffekte auf. Insgesamt zeichnen sich die Experimente durch ihre besondere Ästhetik, der leichten Durchführbarkeit und ihrem ressourcenschonenden und damit nachhaltigen Charakter aus.Zurzeit entwickeln die Autoren Experimente zu organisch‐chemischen Reaktionen in Alginatbällchen sowie zu chemolumineszierenden Alginatbällchen mit Laborchemikalien.
The Moderating Role of Strategic Integration in Performance Improvement Through Purchasing Social Responsibility in Thailand
Authors: Duangjan Chompunoot , Wang Haijun 
Published: April 2018

AbstractThis research aims to understand the performance of purchasing social responsibility (PSR) through moderating effect of purchasing strategic integration. The results show that PSR directly influences purchasing performance, while the relationship between PSR and purchasing performance is partially mediated by organizational learning. Moreover, strategic integration negatively moderates the relationship between PSR and purchasing performance. This study suggests that the adoption of PSR affects the operations of both buyers and suppliers in a supply chain that further encourage organizational learning and increases purchasing efficiency. The results also show that organizations may realize this effect of PSR practices but may focus on other purchasing practices, which affects purchasing performance. Copyright © 2018 ASAC. Published by John Wiley & Sons, Ltd.
The Role of Firms in Resilient Systems: A Multi‐Level Framework
Authors: McKnight Brent 
Published: April 2018

AbstractIn this paper, we articulate a multi‐level resilience‐based framework explaining how firms facilitate stronger system‐level resilience. The framework stresses the importance of firm interdependence, describing how pooled versus sequential/reciprocal patterns of interdependence influence the resilience antecedents of diversity, slack, and redundancy. We argue that the inter‐firm practices of self‐governance and supply chain collaboration function to maintain resilience antecedents at more moderate and effective levels. This work builds on prior resilience research that has remained focused on either firm or system levels of analysis by stressing the value of firm interdependence as an important contingency for effective system resilience. Copyright © 2018 ASAC. Published by John Wiley & Sons, Ltd.