bluuebunny/crossref_metadata_2025 huggingface dataset:
Carbon fibers coated with graphene reinforced TiAl alloy composite with high strength and toughness
Authors: Cui Sen , Cui Chunxiang , Xie Jiaqi , Liu Shuangjin , Shi Jiejie
Published: January 2018

To meet the more rigorous requirement in aerospace industry, recent studies on strengthening and toughening TiAl alloys mostly focus on high Nb addition, which inevitably bring in an increasing of density. In this study, a carbon fibers coated with graphene reinforced TiAl alloy composite was fabricated by powder metallurgy, melt spun and vacuum melting. This composite got remarkable mechanical properties combined with a prominent density reduction. In contrast with pure TiAl ingots, this sample exhibits an average fracture strain from 16% up to 26.27%, and an average strength from 1801 MPa up to 2312 MPa. Thus, we can achieve a new method to fabricate this low-density, good mechanical performance TiAl composite which could bring in more opportunities for application in aerospace industry.
A new strategy for the passive skin delivery of nanoparticulate, high molecular weight hyaluronic acid prepared by a polyion complex method
Authors: Tokudome Yoshihiro , Komi Tatsuya , Omata Ami , Sekita Marie
Published: January 2018

Restoring hyaluronic acid (HA) content is important for maintaining the function of photo-aged skin. This study aimed to evaluate the passive delivery into skin of HA nanoparticles formed by the polyion complex method. Nanoparticles were prepared by mixing and stirring anionic HA with a cationic polymer, protamine, at the charge ratio 55:45. The permeation of fluorescently-labelled HA nanoparticles (HANP) or free HA through hairless mouse skin was characterized in vitro. HANP or free HA was applied to ultraviolet (UV)-irradiated mice in vivo, and their transepidermal water loss (TEWL) was measured after 4 days. HA that had been delivered into skin was separated and characterized by molecular sieve chromatography. HANP were able to deliver HA into the dermis both in vitro and in vivo, whereas free HA penetrated no further than the stratum corneum. Following HANP application, HA within the skin was present in the form of free HA rather than nanoparticles. When applied in vivo, HANP significantly reduced the TEWL caused by UV irradiation. Thus, although free HA does not penetrate into the skin by passive diffusion, HA can be effectively delivered by nanoparticles. HA is then released from the nanoparticles and can contribute to barrier recovery following UV irradiation.
Generation of a rod-specific NRL reporter line in human pluripotent stem cells
Authors: Phillips M. Joseph , Capowski Elizabeth E. , Petersen Andrew , Jansen Alex D. , Barlow Katherine , Edwards Kimberly L. , Gamm David M.
Published: January 2018

Reporter lines generated in human pluripotent stem cells can be highly useful for the analysis of specific cell types and lineages in live cultures. We created the first human rod reporter line using CRISPR/Cas9 genome editing to replace one allele of the Neural Retina Leucine zipper (NRL) gene with an eGFP transgene in the WA09 human embryonic stem cell (hESC) line. After confirming successful targeting, three-dimensional optic vesicle structures were produced to examine reporter specificity and to track rod differentiation in culture. The NRL+/eGFP hESC line robustly and exclusively labeled the entirety of rods throughout differentiation, eventually revealing highly mature structural features. This line provides a valuable tool for studying human rod development and disease and testing therapeutic strategies for retinitis pigmentosa.
Assessment of future climate change impacts on nonpoint source pollution in snowmelt period for a cold area using SWAT
Authors: Wang Yu , Bian Jianmin , Zhao Yongsheng , Tang Jie , Jia Zhuo
Published: January 2018

The source area of Liao River is a typical cold region in northeastern China, which experiences serious problems with agricultural nonpoint source pollution (NPS), it is important to understand future climate change impacts on NPS in the watershed. This issue has been investigated by coupling semi distributed hydrological model (SWAT), statistical downscaling model (SDSM) and global circulation model (GCMs). The results show that annual average temperature would rise by 2.1 °C (1.3 °C) in the 2080 s under scenario RCP8.5 (RCP4.5), and annual precipitation would increase by 67 mm (33 mm). The change in winter temperature and precipitation is most significant with an increase by 0.23 °C/10a (0.17 °C/10a) and 1.94 mm/10a (2.78 mm/10a). The future streamflow, TN and TP loads would decrease by 19.05% (10.59%), 12.27% (8.81%) and 10.63% (6.11%), respectively. Monthly average streamflow, TN and TP loads would decrease from March to November, and increase from December to February. This is because the increased precipitation and temperature in winter, which made the spring snowpack melting earlier. These study indicate the trends of nonpoint source pollution during the snowmelt period under climate change conditions, accordingly adaptation measures will be necessary.
Tripartite symbiosis of plant-weevil-bacteria is a widespread phenomenon in the Negev Desert
Authors: Bar-Shmuel Nitsan , Rogovin Elena , Rachmilevitch Shimon , Friedman Ariel-Leib-Leonid , Shelef Oren , Hoffmann Ishai , Rosenberg Tamir , Behar Adi , Shavit Reut , Meng Fengqun , Segoli Michal
Published: January 2018

The weevilConorhynchus palumbusdevelops in a mud chamber affixed to the roots of the summer annual plantSalsola inermisin the Negev Desert of Israel. The weevil carries nitrogen fixing bacteria, and evidence suggests that plants with weevils utilize the fixed nitrogen. To characterize the distribution, abundance and significance of this unique interaction, we surveyedSalsolaplants in 16 sites throughout the Negev Desert. We excavated ~100 plants from each site, recorded the presence of weevils in their roots, and characterized the soil properties in each site. Weevil mud chambers were present in all of the sampled sites and their abundance was positively correlated with soil nitrogen content and with plant size, and negatively correlated with soil grain-size. Intriguingly, we found two additional weevil species–Menecleonus virgatusandMaximus mimosae–residing in mud chambers onSalsolaroots, and found one additionalSalsolaspecies–S. incanescens–accommodating weevils. Nitrogen fixing bacteria were found in weevil larvae of the two additional species and at multiple sites. Overall, our findings suggest that potentially beneficial associations between weevils and plants may be more common than previously acknowledged, and may play an important role in this desert ecosystem.
Identification and caste-dependent expression patterns of DNA methylation associated genes in Bombus terrestris
Authors: Li Beibei , Hou Li , Zhu Dan , Xu Xilian , An Shiheng , Wang Xianhui
Published: January 2018

DNA methylation has been proposed to play critical roles in caste fate and behavioral plasticity in bumblebees, however, there is little information on its regulatory mechanisms. Here, we identified six important genes mediating the modification of DNA methylation and determined their expression patterns in the bumblebee Bombus terrestris. There is a complete functional DNA methylation system, including four DNA methyltransferases (DNMT1a, DNMT1b, DNMT2, and DNMT3), a DNA demethylase (Ten-eleven translocation), and a methyl-CpG-binding domain protein in B. terrestris. Most of these genes were highly expressed in fat bodies and gonads but lowly expressed in antennae and brains of bumblebee adults. Besides, these genes exhibited caste-specific expression patterns in bumblebees, with higher transcription levels in queens than workers and drones. Whereas their expression levels showed no remarkable difference in queenright and queenless workers. These results suggested potential roles of DNA methylation-related genes in caste differentiation in bumblebees.
Impaired Wnt signaling in dopamine containing neurons is associated with pathogenesis in a rotenone triggered Drosophila Parkinson’s disease model
Authors: Stephano Flora , Nolte Stella , Hoffmann Julia , El-Kholy Samar , von Frieling Jakob , Bruchhaus Iris , Fink Christine , Roeder Thomas
Published: January 2018

Parkinson’s disease, which is the one of the most common neurodegenerative movement disorder, is characterized by a progressive loss of dopamine containing neurons. The mechanisms underlying disease initiation and development are not well understood and causative therapies are currently not available. To elucidate the molecular processes during early stages of Parkinson’s disease, we utilized a Drosophila model. To induce Parkinson’s disease-like phenotypes, we treated flies with the pesticide rotenone and isolated dopamine producing neurons of animals that were at an early disease stage. Transcriptomic analyses revealed that gene ontologies associated with regulation of cell death and neuronal functions were significantly enriched. Moreover, the activities of the MAPK/EGFR- and TGF-β signaling pathways were enhanced, while the Wnt pathway was dampened. In order to evaluate the role of Wnt signaling for survival of dopaminergic neurons in the disease model, we rescued the reduced Wnt signaling activity by ectopic overexpression of armadillo/β-catenin. This intervention rescued the rotenone induced movement impairments in the Drosophila model. Taken together, this initial study showed a highly relevant role of Wnt signaling for dopamine producing neurons during pathogenesis in Parkinson’s disease and it implies that interfering with this pathway might by a suitable therapeutic option for the future.
p38 activation induces production of miR-146a and miR-31 to repress E-selectin expression and inhibit transendothelial migration of colon cancer cells
Authors: Zhong Liang , Huot Jacques , Simard Martin J.
Published: January 2018

Extravasation of circulating cancer cells determines their metastatic potential. This process is initiated by the adhesion of cancer cells to vascular endothelial cells through specific interactions between endothelial adhesion receptors such as E-selectin and their ligands on cancer cells. In the present study, we show that miR-146a and miR-181b impede the expression of E-selectin by repressing the activity of its transcription factor NF-κB, thereby impairing the metastatic potentials of colon cancer cells by decreasing their adhesion to, and migration through, the endothelium. Among the two microRNAs, only miR-146a is activated by IL-1β, through the activation of p38, ERK and JNK MAP kinases, as well as their downstream transcription factors GATA2, c-Fos and c-Jun. Inhibiting p38 MAP kinase increases NF-κB activity, at least partially via miR-146a. Inhibiting p38 also increases the expression of E-selectin at the post-transcriptional level via decreasing miR-31, which targets E-selectin mRNA and also depends on p38 for its expression. In response to IL-1β, p38 MAP kinase hence represses the expression of E-selectin at the transcriptional and the post-transcriptional levels, via miR-146a and miR-31, respectively. These results highlight novel mechanisms by which p38 downregulates the expression of E-selectin through different microRNAs following inflammatory stimuli associated to cancer progression.
Characterizations of distinct parallel and antiparallel G-quadruplexes formed by two-repeat ALS and FTD related GGGGCC sequence
Authors: Zhou Bo , Geng Yanyan , Liu Changdong , Miao Haitao , Ren Yaguang , Xu Naining , Shi Xiao , You Yingying , Lee Tunglun , Zhu Guang
Published: January 2018

The large expansion of GGGGCC (G4C2) repeats of the C9orf72 gene have been found to lead to the pathogenesis of devastating neurological diseases, amyotrophic lateral sclerosis (ALS) and frontotemporal dementia (FTD). The structural polymorphisms of C9orf72 HRE DNA and RNA may cause aberrant transcription and contribute to the development of ALS and FTD. Here we showed that the two-repeat G4C2 DNA, d(G4C2)2, simultaneously formed parallel and antiparallel G-quadruplex conformations in the potassium solution. We separated different folds of d(G4C2)2 by anion exchange chromatography, followed with characterizations by circular dichroism and nuclear magnetic resonance spectroscopy. The parallel d(G4C2)2 G-quadruplex folded as a symmetric tetramer, while the antiparallel d(G4C2)2 adopted the topology of an asymmetric dimer. These folds are distinct from the antiparallel chair-type conformation we previously identified for the d(G4C2)4 G-quadruplex. Our findings have demonstrated the conformational heterogeneity of the C9orf72 HRE DNA, and provided new insights into the d(G4C2)n folding. Meanwhile, the purified d(G4C2)2 G-quadruplex samples are suitable for further three-dimensional structure characterizations, which are required for the structure-based design of small molecules targeting ALS and FTD related C9orf72 HRE.
Variation in Raw Milk Microbiota Throughout 12 Months and the Impact of Weather Conditions
Authors: Li Nan , Wang Yuezhu , You Chunping , Ren Jing , Chen Wanyi , Zheng Huajun , Liu Zhenmin
Published: January 2018

Milk microbiota has a great influence on the safety and quality of dairy products. However, few studies have investigated the variations of bacterial composition in raw milk. In this study, raw milk samples were collected in 12 successive months, and their bacterial compositions were determined by 16 S rRNA gene sequencing. The highest diversity of bacterial composition was detected in June, while the lowest was in December.Firmicutes,ProteobacteriaandActinobacteriawere the most abundant phyla and exhibited a counter-balanced relationship.Pseudomonas,LactococcusandAcinetobacterwere the most prevalent genera (>1%), and a tiny core microbiota (AcinetobacterandPseudomonas) was observed. Temperature and humidity were the determining factors for most variation in bacterial compositions at both the phylum and genus levels. Higher abundances ofPseudomonas,PropionibacteriumandFlavobacteriumwere correlated with low temperature. Furthermore,Pseudomonas/PropionibacteriumandLactobacillus/Bifidobacteriumwere two pairs of genera that had synergistic effects. Associations between the microbiota and milk quality parameters were analyzed. The abundances ofPropionibacterium and Pseudoalteromonaswere negatively correlated to total bacterial count, which meant that they helped to maintain milk quality, while a series of environmental microorganisms contributed to the spoilage of raw milk.
Modeling the Intervention of HIV Transmission across Intertwined Key Populations
Authors: Zhong Lu , Zhang Qingpeng , Li Xiaoming
Published: January 2018

The HIV transmissions between multiple key populations make interventions difficult, particularly with multiple transmission behaviors. It remains unclear how significant the role of bridge individuals (who connect multiple communities) is in HIV transmission, and how to develop more effective intervention strategies targeting different transmission modes across key populations. In this research, we proposed a 2-layer social network framework to simulate the HIV transmissions across female sex workers (FSWs) and persons who inject drugs (PWID) through two behaviors: unprotected sex and needle-sharing. We proposed a set of intervention strategies based on the topological properties of individuals in the social network and estimated the efficacy of these strategies. Simulation studies demonstrated that bridge individuals played a significant role in HIV transmissions across the two networks. Prevention on such bridge individuals could help reduce both the scale and speed of HIV transmissions.
Development of chipless, wireless current sensor system based on giant magnetoimpedance magnetic sensor and surface acoustic wave transponder
Authors: Kondalkar Vijay V. , Li Xiang , Park Ikmo , Yang Sang Sik , Lee Keekeun
Published: January 2018

A chipless, wireless current sensor system was developed using a giant magnetoimpedance (GMI) magnetic sensor and one-port surface acoustic wave (SAW) reflective delay line for real-time power monitoring in a current-carrying conductor. The GMI sensor has a high-quality crystalline structure in each layer, which contributes to a high sensitivity and good linearity in a magnetic field of 3–16 Oe. A 400 MHz RF energy generated from the interdigital transducer (IDT)-type reflector on the one-port SAW delay line was used as an activation source for the GMI magnetic sensor. The one-port SAW delay line replaces the presently existing transceiver system, which is composed of thousands of transistors, thus enabling chipless and wireless operation. We confirmed a large variation in the amplitude of the SAW reflection peak with a change in the impedance of the GMI sensor caused by the current flow through the conductor. Good linearity and sensitivity of ~0.691 dB/A were observed for currents in the range 1–12 A. Coupling of Mode (COM) modeling and impedance matching analysis were also performed to predict the device performance in advance and these were compared with the experimental results.
Histone H5 is a potent Antimicrobial Agent and a template for novel Antimicrobial Peptides
Authors: Jodoin Joelle , Hincke Maxwell T.
Published: January 2018

Modern medicine is challenged continuously by the increasing prevalence of antibiotic resistant bacteria. Cationic antimicrobial peptides and their derivatives are interesting potential alternatives to antibiotics due to their rapid action, broad-spectrum of antimicrobial activity and limited emergence of bacterial resistance. This study reports the novel antimicrobial properties of histone H5, purified from chicken erythrocytes, and histone H5-derived synthetic peptides. Broth microdilution assays revealed that histone H5 has potent broad-spectrum antimicrobial activity against Gram-positive and Gram-negative planktonic bacteria (MIC range: 1.9 ± 1.8 to 4.9 ± 1.5 µg/mL), including vancomycin-resistant Enterococcus (VRE) and methicillin-resistant Staphylococcus aureus (MRSA). Moreover, histone H5 displayed anti-biofilm activity against established Listeria monocytogenes and Pseudomonas aeruginosa biofilms. Scanning electron microscopy demonstrated bacterial membrane damage after histone H5 treatment, while a hemolytic assay revealed that histone H5 is non-toxic towards mammalian erythrocytes, even at a concentration of 1 mg/mL. Although the predicted H5-derived antimicrobial peptides tested in this study were located within the antimicrobial domain of histone H5, their synthetic versions did not possess more potent antimicrobial activity than the full length protein. Overall, this study demonstrates that histone H5 is a potent antimicrobial and therefore a promising template for the development of novel histone H5-derived antimicrobial peptides.
Lab-on-chip technology for chronic disease diagnosis
Authors: Wu Jiandong , Dong Meili , Rigatto Claudio , Liu Yong , Lin Francis
Published: January 2018

Various types of chronic diseases (CD) are the leading causes of disability and death worldwide. While those diseases are chronic in nature, accurate and timely clinical decision making is critically required. Current diagnosis procedures are often lengthy and costly, which present a major bottleneck for effective CD healthcare. Rapid, reliable and low-cost diagnostic tools at point-of-care (PoC) are therefore on high demand. Owing to miniaturization, lab-on-chip (LoC) technology has high potential to enable improved biomedical applications in terms of low-cost, high-throughput, ease-of-operation and analysis. In this direction, research toward developing new LoC-based PoC systems for CD diagnosis is fast growing into an emerging area. Some studies in this area began to incorporate digital and mobile technologies. Here we review the recent developments of this area with the focus on chronic respiratory diseases (CRD), diabetes, and chronic kidney diseases (CKD). We conclude by discussing the challenges, opportunities and future perspectives of this field.
A dataset of 200 structured product labels annotated for adverse drug reactions
Authors: Demner-Fushman Dina , Shooshan Sonya E. , Rodriguez Laritza , Aronson Alan R. , Lang Francois , Rogers Willie , Roberts Kirk , Tonning Joseph
Published: January 2018

Adverse drug reactions (ADRs), unintended and sometimes dangerous effects that a drug may have, are one of the leading causes of morbidity and mortality during medical care. To date, there is no structured machine-readable authoritative source of known ADRs. The United States Food and Drug Administration (FDA) partnered with the National Library of Medicine to create a pilot dataset containing standardised information about known adverse reactions for 200 FDA-approved drugs. The Structured Product Labels (SPLs), the documents FDA uses to exchange information about drugs and other products, were manually annotated for adverse reactions at the mention level to facilitate development and evaluation of text mining tools for extraction of ADRs from all SPLs. The ADRs were then normalised to the Unified Medical Language System (UMLS) and to the Medical Dictionary for Regulatory Activities (MedDRA). We present the curation process and the structure of the publicly available database SPL-ADR-200db containing 5,098 distinct ADRs. The database is available at https://bionlp.nlm.nih.gov/tac2017adversereactions/; the code for preparing and validating the data is available at https://github.com/lhncbc/fda-ars.
All Biomass and UV Protective Composite Composed of Compatibilized Lignin and Poly (Lactic-acid)
Authors: Kim Youngjun , Suhr Jonghwan , Seo Hee-Won , Sun Hanna , Kim Sanghoon , Park In-Kyung , Kim Soo-Hyun , Lee Youngkwan , Kim Kwang-Jin , Nam Jae-Do
Published: January 2018

Utilization of carbon-neutral biomass became increasingly important due to a desperate need for carbon reduction in the issue of global warming in light of replacing petroleum-based materials. We used lignin, which was an abundant, low cost, and non-food based biomass, for the development of all biomass-based films and composites through reactive compatibilization with poly (lactic-acid) (PLA). Using a facile and practical route, the hydrophilic hydroxyl groups of lignin were acetylated to impose the compatibility with PLA. The solubility parameter of the pristine lignin at 26.3 (J/cm3)0.5 was altered to 20.9 (J/cm3)0.5 by acetylation allowing the good compatibility with PLA at 20.2 (J/cm3)0.5. The improved compatibility of lignin and PLA provided substantially decreased lignin domain size in composites (12.7 μm), which subsequently gave transparent and UV-protection films (visual transmittance at 76% and UV protection factor over 40). The tensile strength and elongation of the developed composite films were increased by 22% and 76%, respectively, and the biobased carbon content was confirmed as 96 ± 3%. The developed PLA/lignin composites provided 100% all-biomass contents and balanced optical and mechanical properties that could broaden its eco-friendly applications in various industries.
Multi-spectrometer calibration transfer based on independent component analysis
Authors: Liu Yan , Xu Hao , Xia Zhenzhen , Gong Zhiyong
Published: January 2018

In this work, a method for multi-spectrometer calibration transfer is described based on independent component analysis (ICA).
Quantification of cocaine and its adulterants by nuclear magnetic resonance spectroscopy without deuterated solvents (No-D qNMR)
Authors: Rocha Willy W. F. , Leite Júlia de A. , Correia Radigya M. , Tosato Flávia , Madeira Natã C. L. , Filgueiras Paulo R. , Lacerda Valdemar , Freitas Jair C. C. , Romão Wanderson , Neto Álvaro C.
Published: January 2018

A new analytical method was developed to quantify cocaine and some adulterants using nuclear magnetic resonance spectroscopy without the use of deuterated solvents.
Functional amyloid materials at surfaces/interfaces
Authors: Li Chen , Qin Rongrong , Liu Ruirui , Miao Shuting , Yang Peng
Published: January 2018

With the development of nanotechnology, functional amyloid materials at surfaces/interfaces are drawing increasing attention, and numerous remarkable applications are emerging, which are outlined in this reivew.
Binding properties of mono- and dimeric pyridine dicarboxamide ligands to human telomeric higher-order G-quadruplex structures
Authors: Saintomé C. , Alberti P. , Guinot N. , Lejault P. , Chatain J. , Mailliet P. , Riou J.-F. , Bugaut A.
Published: January 2018

A new dimeric ligand binds telomeric contiguous G4s, displacing the single-stranded DNA binding RPA more efficiently than its monomeric counterpart.
Controllable synthesis of small size CsxWO3nanorods as transparent heat insulation film additives
Authors: Liu Jingxiao , Chen Bin , Fan Chuanyan , Shi Fei , Ran Shuai , Yang Jingyuan , Song Xin , Liu Su-Hua
Published: January 2018

Small size CsxWO3nanorods synthesized using pure ethanol as the solvent exhibited the best visible transparency and NIR shielding performance.
Facile ex situ NaF size/morphology tuning strategy for highly monodisperse sub-5 nm β-NaGdF4:Yb/Er
Authors: Shen Ji-Wei , Wang Zhiqing , Wei Xiaoxuan , Liu Jiawei , Wei Yinmao
Published: January 2018

A facile ex situ NaF size/morphology tuning strategy for NaF release rate regulation was presented and successfully used to achieve time-saving controlled solvothermal synthesis of highly monodisperse/crystalline sub-5 nm β-NaGdF4:Yb/Er at a high growth temperature of 300 °C.
Computational investigation on DNA sequencing using functionalized graphene nanopores
Authors: Yu You-sheng , Lu Xiang , Ding Hong-ming , Ma Yu-qiang
Published: January 2018

Using all-atom molecular dynamic simulations, we herein not only propose a new method for efficient DNA sequencing using functionalized graphene nanopores, but also reveal the underlying mechanism of interactions among ions, DNA bases and functionalized graphene.
Small stoichiometric (MoS2)n clusters with the 1T phase
Authors: Wang Ya-Ya , Deng Jia-Jun , Wang Xin , Che Jian-Tao , Ding Xun-Lei
Published: January 2018

Stoichiometric (MoS2)n clusters (n = 1–6) were systematically studied by density functional theory calculations with hybrid B3LYP and pure GGA PW91 functionals.
Phenothiazine-based small-molecule organic solar cells with power conversion efficiency over 7% and open circuit voltage of about 1.0 V using solvent vapor annealing
Authors: Rout Yogajivan , Misra Rajneesh , Singhal Rahul , Biswas Subhayan , Sharma Ganesh D.
Published: January 2018

We have used two unsymmetrical small molecules with a D–A–D–π–D configuration as small molecule donors, along with PC71BM as an acceptor, for solution processed bulk heterojunction solar cells.
Structural determinants in the bulk heterojunction
Authors: Acocella Angela , Höfinger Siegfried , Haunschmid Ernst , Pop Sergiu C. , Narumi Tetsu , Yasuoka Kenji , Yasui Masato , Zerbetto Francesco
Published: January 2018

A multiscale approach is used to characterize essential morphological features of the bulk heterojunction.
A new series of tetrahedral Co(ii) complexes [CoLX2] (X = NCS, Cl, Br, I) manifesting single-ion magnet features
Authors: Mondal Amit Kumar , Sundararajan Mahesh , Konar Sanjit
Published: January 2018

The influence of ligand field strength on the magnetic anisotropy of a series of isostructural tetrahedral CoII complexes has been investigated by using a combined experimental and theoretical approach.
A reaction of [2,6-(tBu2PO)2C6H3]NiSCH2Ph with BH3·THF: borane mediated C–S bond cleavage
Authors: Zhang Jie , Liu Ting , Ma Qiang-Qiang , Li Shujun , Chen Xuenian
Published: January 2018

C–S bond cleavage of the thiolato ligand of [2,6-(tBu2PO)2C6H3]NiSCH2Ph mediated by BH3 as a suitable model for the transition metal catalyzed C–S bond activation of mercaptans.
Combination of micro X-ray fluorescence spectroscopy and time-of-flight secondary ion mass spectrometry imaging for the marker-free detection of CeO2 nanoparticles in tissue sections
Authors: Veith Lothar , Dietrich Dörthe , Vennemann Antje , Breitenstein Daniel , Engelhard Carsten , Karst Uwe , Sperling Michael , Wiemann Martin , Hagenhoff Birgit
Published: January 2018

The description of nanoparticle distributions in tissue and associated effects is an important goal of nanotoxicology.
Relevance of copper transporter 1 and organic cation transporters 1–3 for oxaliplatin uptake and drug resistance in colorectal cancer cells
Authors: Buß I. , Hamacher A. , Sarin N. , Kassack M. U. , Kalayda G. V.
Published: January 2018

Copper transporter 1 and organic cation transporter 2 mediate oxaliplatin uptake in sensitive and resistant colorectal cancer cells. Organic cation transporter 1 is involved in oxaliplatin uptake only in sensitive cells underscoring its relevance for oxaliplatin resistance.
Effect of Al doping concentration on the structural, optical, morphological and electrical properties of V2O5 nanostructures
Authors: Pradeep I. , Ranjith Kumar E. , Suriyanarayanan N. , Mohanraj K. , Srinivas Ch. , Mehar M. V. K.
Published: January 2018

Study on the optoelectronic characteristics of a cation-substituted nanostructure is a specific area of recent interest for a wide range of photonic applications.
Non-metal atom anchored BC3 sheet: a promising low-cost and high-activity catalyst for CO oxidation
Authors: Tang Yanan , Zhang Minghui , Shen Zigang , Zhou Jincheng , Chai Huadou , Dai Xianqi
Published: January 2018

Graphene-like BC3 monolayer as a new semiconducting nanomaterial has many unique properties.
Buried treasure: biosynthesis, structures and applications of cyclic peptides hidden in seed storage albumins
Authors: Franke B. , Mylne J. S. , Rosengren K. J.
Published: January 2018

SFTI-1 and related peptide natural products emerge from a hiding place in seed storage proteins to inspire pharmaceutical design.
Rapid fabrication of solid-state nanopores with high reproducibility over a large area using a helium ion microscope
Authors: Xia Deying , Huynh Chuong , McVey Shawn , Kobler Aaron , Stern Lewis , Yuan Zhishan , Ling Xinsheng Sean
Published: January 2018

The practical issues (reproducibility, time and pore size control) for massive fabrication of nanopores over a wafer size of several inches for biomolecule detection are addressed here.
Hierarchical carbon nanotube composite yarn muscles
Authors: Song Yanhui , Zhou Susheng , Jin Kaiyun , Qiao Jian , Li Da , Xu Chao , Hu Dongmei , Di Jiangtao , Li Min , Zhang Zuoguang , Li Qingwen
Published: January 2018

Hierarchical CNT composite yarn muscles with excellent contraction and stability as well as high actuation force were fabricated.
Intramolecular Morita–Baylis–Hillman reaction as a strategy for the construction of tricyclic sesquiterpene cores
Authors: Peter Clovis , Geoffroy Philippe , Miesch Michel
Published: January 2018

The tricyclic cores of quadrane/suberosane and cedrane and related sesquiterpenes were readily available starting from a common intermediate and using an intramolecular Morita–Baylis–Hillman reaction as a key step.
Role of annealing temperature on the sol–gel synthesis of VO2 nanowires with in situ characterization of their metal–insulator transition
Authors: Jo Y.-R. , Myeong S.-H. , Kim B.-J.
Published: January 2018

The single-VO2 nanowire device synthesized via sequential morphological evolutions with oxygen reduction during annealing features a sharp metal-insulator transition.
Discovery of VEGFR2 inhibitors by integrating naïve Bayesian classification, molecular docking and drug screening approaches
Authors: Kang De , Pang Xiaocong , Lian Wenwen , Xu Lvjie , Wang Jinhua , Jia Hao , Zhang Baoyue , Liu Ai-Lin , Du Guan-Hua
Published: January 2018

The high morbidity and mortality of cancer make it one of the leading causes of global death, thus it is an urgent need to develop effective drugs for cancer therapy.
Electrochemical characteristics of amorphous silicon carbide film as a lithium-ion battery anode
Authors: Huang X. D. , Zhang F. , Gan X. F. , Huang Q. A. , Yang J. Z. , Lai P. T. , Tang W. M.
Published: January 2018

The electrochemical reactions of SiC film with Li+ have been investigated by electrochemical characterization and X-ray photoelectron spectroscopy.
OH−absorption and holographic storage properties of Sc(0, 1, 2, 3):Ru:Fe:LiNbO3crystals
Authors: Dai Li , Wang Luping , Liu Chunrui , Han Xianbo , Yan Zhehua , Xu Yuheng
Published: January 2018

A series of Sc:Ru:Fe:LiNbO3crystals with various levels of Sc2O3(0, 1, 2, and 3 mol%) doping were grown from congruent melts in air by using the Czochralski technique.
Wrinkling patterns in soft shells
Authors: Zhang Cheng , Hao Yu-Kun , Li Bo , Feng Xi-Qiao , Gao Huajian
Published: January 2018

Under an increasing tensile point force, a hemispherical shell experiences a four-stage morphological transition and symmetry breaking, in stark contrast to a shell under a compressive point force
Development of multifunctional liquid-infused materials by printing assisted functionalization on porous nanocomposites
Authors: He Wenqing , Liu Peng , Jiang Jieke , Liu Meijin , Li Hualin , Zhang Jianqiang , Luo Yan , Cheung Hon-Yeung , Yao Xi
Published: January 2018

By printing functional inks on the porous nanocomposites composed of polar and non-polar components, a couple of unique features were demonstrated on the developed multifunctional liquid-infused materials.
CO2abatement using two-dimensional MXene carbides
Authors: Morales-García Ángel , Fernández-Fernández Adrián , Viñes Francesc , Illas Francesc
Published: January 2018

Density functional simulations of CO2adsorption an desorption rates as a function of CO2pressure and temperature reveal that two-dimensional MXene materials of M2C formula (M = Ti, Zr, Hf, V, Nb, Ta, Cr, Mo, W) are able to adsorb, store, and activate CO2molecules, with promising applications in carbon capture and storage strategies.
Investigation of osteogenic responses of Fe-incorporated micro/nano-hierarchical structures on titanium surfaces
Authors: Yuan Zhang , Liu Peng , Liang Yanan , Tao Bailong , He Ye , Hao Yansha , Yang Weihu , Hu Yan , Cai Kaiyong
Published: January 2018

Fe incorporated micro/nano topographical titanium substrates are fabricated to synergistically regulate osteogenic responses in vitro and osseointegration in vivo.
Photocatalytic anti-bioadhesion and bacterial deactivation on nanostructured iron oxide films
Authors: Li Yuan , Cheng Y. Frank
Published: January 2018

Bacterial adhesion and biofilm formation on metals are a primary mechanism causing integrity degradation and failure of engineering structures. Photocatalytic iron oxide nano-films are effective for prevention of bioadhesion.
Organic electronics by design: the power of minor atomic and structural changes
Authors: McDearmon Brenden , Page Zachariah A. , Chabinyc Michael L. , Hawker Craig J.
Published: January 2018

Case studies of minor structural variations highlight the fundamental relationship between structure and function to offer design rules with which to develop the next generation of organic electronic materials.
Growth of amorphous and epitaxial ZnSiP2–Si alloys on Si
Authors: Martinez Aaron D. , Miller Elisa M. , Norman Andrew G. , Schnepf Rekha R. , Leick Noemi , Perkins Craig , Stradins Paul , Toberer Eric S. , Tamboli Adele C.
Published: January 2018

ZnSiP2 is a wide band gap material lattice matched with Si, with potential for Si-based optoelectronics. Here, amorphous ZnSiP2–Si alloys are grown with tunable composition. Films with Si-rich compositions can be crystallized into epitaxial films.
Low-dimensional halide perovskites: review and issues
Authors: Hong Kootak , Le Quyet Van , Kim Soo Young , Jang Ho Won
Published: January 2018

Halide perovskites are emerging materials for future optoelectronics and electronics due to their remarkable advantages such as a high light absorption coefficient, long charge carrier diffusion length, facile synthesis method, and low cost.
Correction: Quantitative imaging of translocated silver following nanoparticle exposure by laser ablation-inductively coupled plasma-mass spectrometry
Authors: Bishop David P. , Grossgarten Mandy , Dietrich Dörthe , Vennemann Antje , Cole Nerida , Sperling Michael , Wiemann Martin , Doble Philip A. , Karst Uwe
Published: January 2018

Correction for ‘Quantitative imaging of translocated silver following nanoparticle exposure by laser ablation-inductively coupled plasma-mass spectrometry’ by David P. Bishop et al., Anal. Methods, 2018, DOI: 10.1039/c7ay02294h.
Magnetic properties and structure of tetranuclear lanthanide complexes based on 8-hydroxylquinoline Schiff base derivative and β-diketone coligand
Authors: Gao Hong-Ling , Huang Shao-Xia , Zhou Xiao-Pu , Liu Zhen , Cui Jian-Zhong
Published: January 2018

Herein, we report the synthesis, structure, and magnetism of five tetranuclear LnIII complexes encapsulated by 5-(4-pyridinecarboxaldehyde)amino-8-hydroxylquinoline and β-diketonate coligand.
Terpyridine-functionalized stimuli-responsive microgels and their assembly through metal–ligand interactions
Authors: Lee Jookyeong , Choi Eun Jung , Varga Imre , Claesson Per M. , Yun Sang-Ho , Song Changsik
Published: January 2018

We developed a terpyridine-functionalized microgel (tpy-mG) for its supramolecular assembly.
Effectiveness of a Method for Teaching Self-Compassion to Communication Sciences and Disorders Graduate Students
Authors: Beck Ann R. , Verticchio Heidi
Published: January 2018

Purpose

The purpose of this study is to explore the effects of a daily mindfulness practice and 2 types of journaling on participants' development of self-compassion.

Method

This was a between-groups design. All participants in a graduate counseling course engaged in a short daily mindfulness practice at the beginning of every class. Participants were randomly assigned to a counseling journal or a gratitude journal group. Participants were to write in their journals 2 to 5 times a week for the duration of the class. Participants completed the Self-Compassion Scale (Neff, 2003) and a questionnaire created by the 1st author before any mindfulness sessions were held and again at the completion of the course.

Results

Participants' level of self-compassion increased from pretest to posttest. The self-compassion scores of participants who kept counseling journals increased more than did those of participants who kept gratitude journals. Qualitative data indicated that participants believed that mindfulness was an important quality for clinicians to possess and that they were accepting of the daily mindfulness practice.

Conclusions

Engaging in a 12-min daily mindfulness practice utilizing simple yoga postures, breath work, reflective writing, and journaling done at a separate time appears to be an effective technique for increasing students' levels of self-compassion. Maintaining a counseling journal as opposed to a gratitude journal appears to enhance the effect of the daily mindfulness practice on self-compassion.
Concurrent Validity and Reliability for the Communication Complexity Scale
Authors: Brady Nancy C. , Fleming Kandace , Romine Rebecca Swinburne , Holbrook Alison , Muller Kristen , Kasari Connie
Published: January 2018

Purpose

The Communication Complexity Scale (CCS; Brady et al., 2012) was created to fill a void in measures of expressive communication skills in individuals who communicate primarily with presymbolic or early symbolic means. CCS scores reflect expressive communication observed during interactive communication contexts.

Method

Two studies were completed to examine the reliability and validity of the revised CCS scores. Participants in both studies had minimal verbal skills (i.e., produced less than 20 functional words). Study 1 examined interobserver agreement, test–retest reliability, and concurrent validity for 239 participants with intellectual disabilities between the ages of 3–66 years, assessed with the protocol developed at the University of Kansas (KU CCS). CCS scores were compared with scores from the Vineland Adaptive Behavior Scales–Second Edition (Sparrow, Cicchetti, & Balla, 2005) and the Communication Matrix (Rowland & Fried-Oken, 2010). Study 2 examined the reliability and concurrent validity for CCS scores derived from 110 children (chronological age = 3–9) with autism from diverse backgrounds. These children were assessed with the Early Social Communication Scale (Mundy et al., 2003). CCS scores were compared with rates of communication derived from the Early Social Communication Scale.

Results

CCS scores were moderately correlated with scores from existing measures of early communication. In addition, CCS scores from different raters were reliable, and test–retest scores were highly similar.

Conclusions

These findings support the validity and reliability of the CCS when used with individuals across a wide range of ages and with various types of disabilities. The CCS can be used in research and clinical practice to describe extant communication levels in individuals with minimal verbal skills.
Observations of white-light flares in NOAA active region 11515: high occurrence rate and relationship with magnetic transients
Authors: Song Y. L. , Tian H. , Zhang M. , Ding M. D.
Published: January 2018

Aims. There are two goals in this study. One is to investigate how frequently white-light flares (WLFs) occur in a flare-productive active region (NOAA active region 11515). The other is to investigate the relationship between WLFs and magnetic transients (MTs).

Methods. We used the high-cadence (45 s) full-disk continuum filtergrams and line-of-sight magnetograms taken by the Helioseismic and Magnetic Imager (HMI) on board the Solar Dynamics Observatory (SDO) to identify WLFs and MTs, respectively. Images taken by the Atmospheric Imaging Assembly (AIA) on board SDO were also used to show the flare morphology in the upper atmosphere.

Results. We found at least 20 WLFs out of a total of 70 flares above C class (28.6%) in NOAA active region 11515 during its passage across the solar disk (E45°–W45°). Each of these WLFs occurred in a small region, with a short duration of about 5 min. The enhancement of the white-light continuum intensity is usually small, with an average enhancement of 8.1%. The 20 WLFs we observed were found along an unusual configuration of the magnetic field that was characterized by a narrow ribbon of negative field. Furthermore, the WLFs were found to be accompanied by MTs, with radical changes in magnetic field strength (or even a sign reversal) observed during the flare. In contrast, there is no obvious signature of MTs in the 50 flares without white-light enhancements.

Conclusions. Our results suggest that WLFs occur much more frequently than previously thought, with most WLFs being fairly weak enhancements. This may explain why WLFs are reported rarely. Our observations also suggest that MTs and WLFs are closely related and appear cospatial and cotemporal, when considering HMI data. A greater enhancement of WL emission is often accompanied by a greater change in the line-of-sight component of the unsigned magnetic field. Considering the close relationship between MTs and WLFs, many previously reported flares with MTs may be WLFs.
EXOCROSS: a general program for generating spectra from molecular line lists
Authors: Yurchenko Sergei N. , Al-Refaie Ahmed F. , Tennyson Jonathan
Published: January 2018

EXOCROSS is a Fortran code for generating spectra (emission, absorption) and thermodynamic properties (partition function, specific heat, etc.) from molecular line lists. Input is taken in several formats, including ExoMol and HITRAN formats. EXOCROSS is efficiently parallelized showing also a high degree of vectorization. It can work with several line profiles such as Doppler, Lorentzian and Voigt and support several broadening schemes. Voigt profiles are handled by several methods allowing fast and accurate simulations. Two of these methods are new. EXOCROSS is also capable of working with the recently proposed method of super-lines. It supports calculations of lifetimes, cooling functions, specific heats and other properties. EXOCROSS can be used to convert between different formats, such as HITRAN, ExoMol and Phoenix. It is capable of simulating non-LTE spectra using a simple two-temperature approach. Different electronic, vibronic or vibrational bands can be simulated separately using an efficient filtering scheme based on the quantum numbers.
An isoperimetric problem with a Coulombic repulsion and attractive term
Authors: La Manna Domenico Angelo
Published: January 2018

We study an energy given by the sum of the perimeter of a set, a Coulomb repulsion term of the set with itself and an attraction term of the set to a point charge. We prove that there exists an optimal radiusr0such that ifr<r0the ballBris a local minimizer with respect to any other set with same measure. The global minimality of balls is also addressed.
On Monte-Carlo tree search for deterministic games with alternate moves and complete information
Authors: Delattre Sylvain , Fournier Nicolas
Published: January 2018

We consider a deterministic game with alternate moves and complete information, of which the issue is always the victory of one of the two opponents. We assume that this game is the realization of a random model enjoying some independence properties. We consider algorithms in the spirit of Monte-Carlo Tree Search, to estimate at best the minimax value of a given position: it consists in simulating, successively, n well-chosen matches, starting from this position. We build an algorithm, which is optimal, step by step, in some sense: once the n first matches are simulated, the algorithm decides from the statistics furnished by the n first matches (and the a priori we have on the game) how to simulate the (n + 1)th match in such a way that the increase of information concerning the minimax value of the position under study is maximal. This algorithm is remarkably quick. We prove that our step by step optimal algorithm is not globally optimal and that it always converges in a finite number of steps, even if the a priori we have on the game is completely irrelevant. We finally test our algorithm, against MCTS, on Pearl’s game [Pearl, Artif. Intell. 14 (1980) 113–138] and, with a very simple and universal a priori, on the game Connect Four and some variants. The numerical results are rather disappointing. We however exhibit some situations in which our algorithm seems efficient.
PEG/ZnBr2-Assisted Multicomponent Reactions: A Novel Procedure for the Synthesis of Functionalized 5,6-Dihydropyran-2-ones
Authors: Khalaj Mehdi , Farahani Nasrin , Sadeghpour Mahdieh , Rajabzadeh Halimeh , Khatami Seyed
Published: January 2018

We report a catalytic multicomponent reaction of isocyanides, oxiranes, and malonates under mild conditions, allowing the transformation of a wide range of substrates into 5,6-dihydropyran-2-one products in acceptable yields. We have also examined the leaving group selectivity using an unsymmetrical malonate. This novel method demonstrates the benefits of combining different activation modes in oxiranes.
tert-Butylhydroperoxide-Mediated Oxidation of Carbazole-3-carboxyaldehydes
Authors: Meesala Ramu , Arshad Ahmad , Pichika Mallikarjuna , Mordi Mohd , Mansor Sharif
Published: January 2018

Oxidation of carbazole-3-carboxyaldehydes promoted by a 70% aqueous solution of tert-butylhydroperoxide leads to the corresponding carbazole-3-carboxylic acids in good yields. This transition-metal-free oxidation protocol is attractive for the synthesis of pharmaceutically important carbazole analogues.
An Efficient Microwave-Assisted Propylphosphonic Anhydride (T3P®)-Mediated One-Pot Chromone Synthesis via Enaminones
Authors: Behera Manoranjan , Balakrishna C. , Kandula Venu , Gudipati Ramakrishna , Yennam Satyanarayana , Devi P.
Published: January 2018

An efficient synthesis of 4H-chromene-4-ones via enamino ketones, with cyclization by using T3P® under microwave heating is described. This is the first report for the synthesis of chromones by using T3P®. Significant features of this method include short reaction times and high-purity products.
A Convenient Synthesis of Azulene
Authors: Langhals Heinz , Eberspächer Moritz
Published: January 2018

An improved and scalable synthesis of azulene has been developed by the application of pyrrolidine as a reagent and continuous steam distillation and extraction for workup. Applications for the coloration of perfluorinated media and silicones were demonstrated.