bluuebunny/crossref_metadata_2025_split huggingface dataset:
Divergent neural responses to narrative speech in disorders of consciousness
Authors: Iotzov Ivan , Fidali Brian C. , Petroni Agustin , Conte Mary M. , Schiff Nicholas D. , Parra Lucas C. 
Published: September 2017

AbstractObjectiveClinical assessment of auditory attention in patients with disorders of consciousness is often limited by motor impairment. Here, we employ intersubject correlations among electroencephalography responses to naturalistic speech in order to assay auditory attention among patients and healthy controls.MethodsElectroencephalographic data were recorded from 20 subjects with disorders of consciousness and 14 healthy controls during of two narrative audio stimuli, presented both forwards and time‐reversed. Intersubject correlation of evoked electroencephalography signals were calculated, comparing responses of both groups to those of the healthy control subjects. This analysis was performed blinded and subsequently compared to the diagnostic status of each patient based on the Coma Recovery Scale‐Revised.ResultsSubjects with disorders of consciousness exhibit significantly lower intersubject correlation than healthy controls during narrative speech. Additionally, while healthy subjects had higher intersubject correlation values in forwards versus backwards presentation, neural responses did not vary significantly with the direction of playback in subjects with disorders of consciousness. Increased intersubject correlation values in the backward speech condition were noted with improving disorder of consciousness diagnosis, both in cross‐sectional analysis and in a subset of patients with longitudinal data.InterpretationIntersubject correlation of neural responses to narrative speech audition differentiates healthy controls from patients and appears to index clinical diagnoses in disorders of consciousness.
The Effects of Crystallinity on Charge Transport and the Structure of Sequentially Processed F4TCNQ‐Doped Conjugated Polymer Films
Authors: Scholes D. Tyler , Yee Patrick Y. , Lindemuth Jeffrey R. , Kang Hyeyeon , Onorato Jonathan , Ghosh Raja , Luscombe Christine K. , Spano Frank C. , Tolbert Sarah H. , Schwartz Benjamin J. 
Published: September 2017

AbstractThe properties of molecularly doped films of conjugated polymers are explored as the crystallinity of the polymer is systematically varied. Solution sequential processing (SqP) was used to introduce 2,3,5,6‐tetrafluoro‐7,7,8,8‐tetracyanoquinodimethane (F4TCNQ) into poly(3‐hexylthiophene‐2,5‐diyl) (P3HT) while preserving the pristine polymer's degree of crystallinity. X‐ray data suggest that F4TCNQ anions reside primarily in the amorphous regions of the film as well as in the P3HT lamellae between the side chains, but do not π‐stack within the polymer crystallites. Optical spectroscopy shows that the polaron absorption redshifts with increasing polymer crystallinity and increases in cross section. Theoretical modeling suggests that the polaron spectrum is inhomogeneously broadened by the presence of the anions, which reside on average 6–8 Å from the polymer backbone. Electrical measurements show that the conductivity of P3HT films doped by F4TCNQ via SqP can be improved by increasing the polymer crystallinity. AC magnetic field Hall measurements show that the increased conductivity results from improved mobility of the carriers with increasing crystallinity, reaching over 0.1 cm2 V−1 s−1 in the most crystalline P3HT samples. Temperature‐dependent conductivity measurements show that polaron mobility in SqP‐doped P3HT is still dominated by hopping transport, but that more crystalline samples are on the edge of a transition to diffusive transport at room temperature.
Eco‐Friendly SnTe Thermoelectric Materials: Progress and Future Challenges
Authors: Moshwan Raza , Yang Lei , Zou Jin , Chen Zhi‐Gang 
Published: September 2017

AbstractAs a key type of emerging thermoelectric material, tin telluride (SnTe) has received extensive attention because of its low toxicity and eco‐friendly nature. The recent trend shows that band engineering and nanostructuring can enhance thermoelectric performance of SnTe as intermediate temperature (400–800 K) thermoelectrics, which provides an alternative for toxic PbTe with the same operational temperature. This review highlights the key strategies to enhance the thermoelectric performance of SnTe materials through band engineering, carrier concentration optimization, synergistic engineering, and structure design. A fundamental analysis elucidates the underpinnings for the property improvement. This comprehensive review will boost the relevant research with a view to work on further performance enhancement of SnTe materials.
Defect Creation in HKUST‐1 via Molecular Imprinting: Attaining Anionic Framework Property and Mesoporosity for Cation Exchange Applications
Authors: Tan Ying Chuan , Zeng Hua Chun 
Published: September 2017

AbstractDiscovering new methods to tailor the physical and chemical properties of metal–organic frameworks (MOFs) for their numerous potential applications is highly desired. In this work, engineering defects in MOF via a molecular imprinting approach is developed to endow HKUST‐1, a well‐studied classical MOF, with hierarchical structure, mesoporosity, and anionic framework property. Ringlike anionic HKUST‐1 (HKUST‐1‐R) and a wide variety of metal‐doped isostructural analogues (M/HKUST‐1‐R, M = Ca, Cd, Ce, Co, Li, Mn, Na, Ni, or Zn) are obtained. The benefits of transforming imprinted HKUST‐1‐R to M/HKUST‐1‐R are further demonstrated for various applications. This synthetic strategy is therefore suitable for rational design and functionalization of MOFs in addition to their morphological control in nanoscale.
Solvent‐Assisted Micromolding of Biohybrid Hydrogels to Maintain Human Hematopoietic Stem and Progenitor Cells Ex Vivo
Authors: Müller Eike , Pompe Tilo , Freudenberg Uwe , Werner Carsten 
Published: September 2017

AbstractArray‐format cell‐culture carriers providing tunable matrix cues are instrumental in current cell biology and bioengineering. A new solvent‐assisted demolding approach for the fabrication of microcavity arrays with very small feature sizes down to single‐cell level (3 µm) of very soft biohybrid glycosaminoglycan–poly(ethylene glycol) hydrogels (down to a shear modulus of 1 kPa) is reported. It is further shown that independent additional options of localized conjugation of adhesion ligand peptides, presentation of growth factors through complexation to gel‐based glycosaminoglycans, and secondary gel deposition for 3D cell embedding enable a versatile customization of the hydrogel microcavity arrays for cell culture studies. As a proof of concept, cell‐instructive hydrogel compartment arrays are used to analyze the response of human hematopoietic stem and progenitor cells to defined biomolecular and spatial cues.
Layered‐Double‐Hydroxide Nanosheets as Efficient Visible‐Light‐Driven Photocatalysts for Dinitrogen Fixation
Authors: Zhao Yufei , Zhao Yunxuan , Waterhouse Geoffrey I. N. , Zheng Lirong , Cao Xingzong , Teng Fei , Wu Li‐Zhu , Tung Chen‐Ho , O'Hare Dermot , Zhang Tierui 
Published: September 2017

AbstractSemiconductor photocatalysis attracts widespread interest in water splitting, CO2 reduction, and N2 fixation. N2 reduction to NH3 is essential to the chemical industry and to the Earth's nitrogen cycle. Industrially, NH3 is synthesized by the Haber–Bosch process under extreme conditions (400–500 °C, 200–250 bar), stimulating research into the development of sustainable technologies for NH3 production. Herein, this study demonstrates that ultrathin layered‐double‐hydroxide (LDH) photocatalysts, in particular CuCr‐LDH nanosheets, possess remarkable photocatalytic activity for the photoreduction of N2 to NH3 in water at 25 °C under visible‐light irradiation. The excellent activity can be attributed to the severely distorted structure and compressive strain in the LDH nanosheets, which significantly enhances N2 chemisorption and thereby promotes NH3 formation.
Ipso Nitration of 2‐Halothiophenes with Silver Nitrate
Authors: Lee Gon‐Ann , Lin Hung‐Chun , Lee Hsin‐Yi , Chen Chien‐Hsun , Huang Hsiang‐Yun 
Published: September 2017

AbstractA simple method for the ipso nitration of aryl substituted 2‐halothiophenes that produces 2‐nitrothiophenes with regioselectivity is described. The method involves AgNO3 as the nitration reagent without further additives to conduct the transformation. 2‐Styryl‐5‐halothiophenes and the bisthienyl derivatives could be smoothly converted to the corresponding ipso‐nitration products in good yields. This transformation is believed to proceed via an AgIII intermediate and oxygen absorption.
Total Synthesis of (−)‐Spiroleucettadine
Authors: Lamb Richard A. , Aberle Nicholas S. , Lucas Nigel T. , Lessene Guillaume , Hawkins Bill C. 
Published: September 2017

AbstractOne of a number of intriguing new alkaloids isolated from the Leucetta sp. sponge in 2004, spiroleucettadine displayed unique structural features on a restricted scaffold: a trans‐fused 5,5‐bicyclic ring system together with an amino hemiketal moiety. Attempts to synthesize the initially proposed structure failed, raising questions as to its veracity, and structure revision ensued in 2008; no successful synthetic approach has been reported to date. Herein, we describe the enantiospecific total synthesis of (−)‐spiroleucettadine by a highly efficient biomimetic approach starting from l‐tyrosine. One of two key hypervalent‐iodine‐mediated oxidation reactions forged the spirocyclic center, and the other enabled the installation of the methylamine side chain in the penultimate step. Our approach provides synthetic access to a new class of spiroannulated natural products and will enable future studies of the structure–biological‐activity relationships of these antibacterial compounds.
Covalent Lectin Inhibition and Application in Bacterial Biofilm Imaging
Authors: Wagner Stefanie , Hauck Dirk , Hoffmann Michael , Sommer Roman , Joachim Ines , Müller Rolf , Imberty Anne , Varrot Annabelle , Titz Alexander 
Published: September 2017

AbstractBiofilm formation by pathogenic bacteria is a hallmark of chronic infections. In many cases, lectins play key roles in establishing biofilms. The pathogen Pseudomonas aeruginosa often exhibiting various drug resistances employs its lectins LecA and LecB as virulence factors and biofilm building blocks. Therefore, inhibition of the function of these proteins is thought to have potential in developing “pathoblockers” preventing biofilm formation and virulence. A covalent lectin inhibitor specific to a carbohydrate binding site is described for the first time. Its application in the LecA‐specific in vitro imaging of biofilms formed by P. aeruginosa is also reported.
A Polymer/Peptide Complex‐Based Sensor Array That Discriminates Bacteria in Urine
Authors: Han Jinsong , Cheng Haoran , Wang Benhua , Braun Markus Santhosh , Fan Xiaobo , Bender Markus , Huang Wei , Domhan Cornelius , Mier Walter , Lindner Thomas , Seehafer Kai , Wink Michael , Bunz Uwe H. F. 
Published: September 2017

AbstractA negatively charged poly(para‐phenyleneethynylene) (PPE) forms electrostatic complexes with four positively charged antimicrobial peptides (AMP). The AMPs partially quench the fluorescence of the PPE and discriminate fourteen different bacteria in water and in human urine by pattern‐based fluorescence recognition; the AMP‐PPE complexes bind differentially to the components of bacterial surfaces. The bacterial species and strains form clusters according to staining properties (Gram‐positive and Gram‐negative) or genetic similarity (genus, species, and strain). The identification and data treatment is performed by pattern evaluation with linear discriminant analysis (LDA) of the collected fluorescence intensity data.
Photoredox Generation of Carbon‐Centered Radicals Enables the Construction of 1,1‐Difluoroalkene Carbonyl Mimics
Authors: Lang Simon B. , Wiles Rebecca J. , Kelly Christopher B. , Molander Gary A. 
Published: September 2017

AbstractDescribed is a facile, scalable route to access functional‐group‐rich gem‐difluoroalkenes. Using visible‐light‐activated catalysts in conjunction with an arsenal of carbon‐radical precursors, an array of trifluoromethyl‐substituted alkenes undergoes radical defluorinative alkylation. Nonstabilized primary, secondary, and tertiary radicals can be used to install functional groups in a convergent manner, which would otherwise be challenging by two‐electron pathways. The process readily extends to other perfluoroalkyl‐substituted alkenes. In addition, we report the development of an organotrifluoroborate reagent to expedite the synthesis of the requisite trifluoromethyl‐substituted alkene starting materials.
Gelation mechanism and rheological properties of polyacrylamide crosslinking with polyethyleneimine and its plugging performance in air‐foam displacement
Authors: Song Ranran , Jiang Guancheng , Wang Kai 
Published: September 2017

ABSTRACTGels based on polyacrylamide crosslinking with polyethyleneimine have attracted attention because of their resulting high strength and good thermal stability. This study investigated the gelation mechanism of the polymeric gel and its plugging performance in air‐foam flooding. An optic microrheology analyzer was used to monitor the gelation process. The crosslinking reaction occurred in two steps, as determined from the elasticity factor curves, and the polymeric gels adopted a semisolid state from solution, as determined from the solid liquid balance curves. The elastic modulus values were higher than the viscous modulus values, indicating that mature gels were elastic‐based materials. The yield stress increased gradually with increasing polymer dosage, which was consistent with the breakthrough pressure and the trend of displacement pressure. The mature gels showed significant thixotropy. In the core displacement test, the preferred injection volume of the gel was 0.1 pore volume, and the stable pressure of the foam flooding was increased by about three times after the core was plugged. The blocking effect for cores with small original permeability was better than that with large permeability. The best blocking resulted from simultaneous treatment of both ends of the cores, followed by front‐end treatment and rear‐end treatment. © 2017 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2018, 135, 45778.
Effects of solvent on structures and properties of electrospun poly(ethylene oxide) nanofibers
Authors: Song Zhe , Chiang Sum Wai , Chu Xiaodong , Du Hongda , Li Jia , Gan Lin , Xu Chengjun , Yao Youwei , He Yanbing , Li Baohua , Kang Feiyu 
Published: September 2017

ABSTRACTPoly(ethylene oxide) (PEO) nanofibers were prepared by electrospinning PEO solution with a mixed solvent of ethanol and deionized water. The results show that the mixed solvent system has noteworthy influences on structures and properties of electrospun PEO nanofibers, including molecular chain orientation, crystallinity degree, surface morphology, fiber diameter, diameter distribution, spinnability, and productivity. With increasing ethanol content in the mixed solvent, wrinkly morphologies appear on the surface of PEO nanofibers due to a high evaporation rate of ethanol during electrospinning process. The dielectric constant, dipole moment, conductivity, density, boiling point, and solubility parameter of the mixed solvent become lower with the ethanol content increasing. Besides, the hydrogen‐bonding interactions between PEO and solvents become weaker. As a result, PEO nanofibers with larger diameters, lower molecular chain orientation, and crystallinity degree are obtained. © 2017 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2018, 135, 45787.
Everyday executive function predicts adaptive and internalizing behavior among children with and without autism spectrum disorder
Authors: Gardiner Emily , Iarocci Grace 
Published: September 2017

Individuals with autism spectrum disorder (ASD) demonstrate challenges with executive function (EF), adaptive behavior, and mental health, all of which place long‐term wellbeing at risk. In the current study we examined the relation between parent‐rated EF and adaptive functioning and internalizing symptoms (anxiety, depression), as we expected that identifying the specific EF domains most closely related to these indices of functioning would illuminate opportunities for targeted intervention. Participants included 59 children and adolescents with ASD (M = 10.1 years) and 67 who were typically developing (TD) (M = 9.4 years) matched on age, IQ, mental age, and maternal education. Caregivers completed the Behavior Rating Inventory of EF (BRIEF) and Behavior Assessment System for Children, Second Edition (BASC‐2). Parents rated children with ASD as demonstrating significantly more challenges across most of the examined BRIEF and BASC‐2 indices and scales, with the exception of organization of materials (BRIEF) and anxiety (BASC‐2). For both groups, metacognitive EF processes emerged as strongly associated with practical, conceptual, and social skills, though different BRIEF scales emerged as significant across the component subdomains. In terms of the relation with mental health, BRIEF index scores were unrelated to anxiety for both groups. Behavior regulation, however, was significantly associated with depression symptoms for children with and without ASD. The findings highlight the possibility that targeting particular EF domains among individuals with and without ASD may not only have direct benefit for behavior regulation and metacognitive abilities, but may also extend to other areas of life, including adaptive behavior and concomitant internalizing symptomatology. Autism Res 2018, 11: 284–295. © 2017 International Society for Autism Research, Wiley Periodicals, Inc.Lay SummaryWe examined whether parents’ ratings of their children's flexibility and ability to monitor their behavior predicted adaptive skills (e.g., ability to complete day‐to‐day personal tasks, communicate, and socialize) and symptoms of anxiety and depression among children with and without autism spectrum disorder. For both groups, children's abilities to manage and monitor their behavior were strongly related to adaptive skills. Children's flexibility and ability to inhibit inappropriate behavior and control their emotions was associated with depression symptoms for both groups.
Integrated microalgae biorefinery: Impact of product demand profile and prospect of carbon capture
Authors: Sen Gupta Soumyajit , Shastri Yogendra , Bhartiya Sharad 
Published: September 2017

AbstractAn integrated microalgae biorefinery producing fuels and value‐added products needs to be optimally synthesized for realizing its potential. A large‐scale optimization model considering biorefinery co‐producing biodiesel, polar lipid, protein, and reduced sugar from microalgae has been previously developed, and biodiesel production without any co‐products manufactured was found to be non‐profitable. This work uses the model to study the impact of demands and selling prices of value‐added co‐products on the optimal biorefinery synthesis and the net annualized life cycle cost (ALCC) of biodiesel production. The simulation results showed that production of reduced sugar to the maximum extent resulted in an annualized profit of US$27.23/L of biodiesel production. Individual scenarios for mandatory production of protein and polar lipid resulted in an ALCC of US$15.11/L and US$13.20/L, respectively. The case of fluctuations in demand and selling prices of the end‐products was also analyzed. Additionally, the potential of a biorefinery to sequester atmospheric carbon dioxide from a coal‐fired 500 MW power plant, without any preferential product, is also modeled. Emission of carbon dioxide is considered to attract a penalty. For this study, with a low‐value biodiesel selling price (US$0.48/L), the biorefinery captured 2.77% of the available carbon dioxide and recorded a net annual deficit of US$9.71 million. On the other hand, for a high price of biodiesel (US$8.74/L), 99.89% of the carbon dioxide was captured to have biodiesel and reduced sugar co‐produced, yielding a net annual revenue of US$303.27 million. © 2017 Society of Chemical Industry and John Wiley & Sons, Ltd
Prediction of drug‐drug interactions using physiologically‐based pharmacokinetic models of CYP450 modulators included in Simcyp software
Authors: Marsousi Niloufar , Desmeules Jules A. , Rudaz Serge , Daali Youssef 
Published: September 2017

AbstractIn recent years, physiologically based PharmacoKinetic (PBPK) modeling has received growing interest as a useful tool for the assessment of drug pharmacokinetics. It has been demonstrated to be informative and helpful to quantify the modification in drug exposure due to specific physio‐pathological conditions, age, genetic polymorphisms, ethnicity and particularly drug–drug interactions (DDIs). In this paper, the prediction success of DDIs involving various cytochrome P450 isoenzyme (CYP) modulators namely ketoconazole (a competitive inhibitor of CYP3A), itraconazole (a competitive inhibitor of CYP3A), clarithromycin (a mechanism‐based inhibitor of CYP3A), quinidine (a competitive inhibitor of CYP2D6), paroxetine (a mechanism‐based inhibitor of CYP2D6), ciprofloxacin (a competitive inhibitor of CYP1A2), fluconazole (a competitive inhibitor of CYP2C9/2C19) and rifampicin (an inducer of CYP3A) were assessed using Simcyp® software. The aim of this report was to establish confidence in each CYP‐specific modulator file so they can be used in the future for the prediction of DDIs involving new victim compounds. Our evaluation of these PBPK models suggested that they can be successfully used to evaluate DDIs in untested scenarios. The only noticeable exception concerned a quinidine inhibitor model that requires further improvement. Additionally, other important aspects such as model validation criteria were discussed.
Reviving near infra‐red emission of Ag2S nanoparticles using interfacial defects in the Ag2S@CdS core–shell structure
Authors: Karimipour M. , Izadian L. , Molaei M. 
Published: September 2017

AbstractAg2S@CdS core–shell particles were synthesized with different Cd source content as a measure of shell thickness using a pulsed microwave irradiation method. The particles were verified structurally using X‐ray diffraction, energy dispersive X‐ray analysis and transmission electron microscopy. Optical spectroscopy revealed that core–shells show an absorption peak at 750 nm and an emission peak located around 800 nm after 6 min of microwave irradiation. With continued microwave treatment, the NIR luminescence first vanished but it was revived after 12 min of irradiation, which was 100 nm red shifted. This new type of NIR emission in Ag2S with sizes greater than 5 nm is due to the proximity of a highly deficient CdS shell with strong red emission that was stable for more than 6 months in water. A mechanism has been suggested for this type of emission.