bluuebunny/crossref_metadata_2025 huggingface dataset:
Heralded quantum repeater based on the scattering of photons off single emitters using parametric down-conversion source
Authors: Song Guo-Zhu , Wu Fang-Zhou , Zhang Mei , Yang Guo-Jian
Published: June 2016

Quantum repeater is the key element in quantum communication and quantum information processing. Here, we investigate the possibility of achieving a heralded quantum repeater based on the scattering of photons off single emitters in one-dimensional waveguides. We design the compact quantum circuits for nonlocal entanglement generation, entanglement swapping and entanglement purification and discuss the feasibility of our protocols with current experimental technology. In our scheme, we use a parametric down-conversion source instead of ideal single-photon sources to realize the heralded quantum repeater. Moreover, our protocols can turn faulty events into the detection of photon polarization and the fidelity can reach 100% in principle. Our scheme is attractive and scalable, since it can be realized with artificial solid-state quantum systems. With developed experimental technique on controlling emitter-waveguide systems, the repeater may be very useful in long-distance quantum communication.
Formation of a series of stable pillar[5]arene-based pseudo[1]-rotaxanes and their [1]rotaxanes in the crystal state
Authors: Han Ying , Huo Gui-Fei , Sun Jing , Xie Ju , Yan Chao-Guo , Zhao Yue , Wu Xuan , Lin Chen , Wang Leyong
Published: June 2016

A series of mono-amide-functionalized pillar[5]arenes with different lengths of N-ω-aminoalkyl groups as the side chain on the rim were designed and synthesized, which all formed pseudo[1]rotaxanes in the crystal state. And these pseudo[1]rotaxanes could be transformed into [1]rotaxanes or open forms in the crystal state. In addition, they were also studied in solution by 1H NMR spectroscopy.
Spontaneous mutations in Streptococcus pyogenes isolates from streptococcal toxic shock syndrome patients play roles in virulence
Authors: Ikebe Tadayoshi , Matsumura Takayuki , Nihonmatsu Hisako , Ohya Hitomi , Okuno Rumi , Mitsui Chieko , Kawahara Ryuji , Kameyama Mitsuhiro , Sasaki Mari , Shimada Naomi , Ato Manabu , Ohnishi Makoto
Published: June 2016

Streptococcus pyogenes(group AStreptococcus; GAS) is a widespread human pathogen and causes streptococcal toxic shock syndrome (STSS). STSS isolates have been previously shown to have high frequency mutations in thecsrS/csrR(covS/covR) and/orrgg(ropB) genes, which are negative regulators of virulence. However, these mutations were found at somewhat low frequencies inemm1-genotyped isolates, the most prevalent STSS genotype. In this study, we sought to detect causal mutations of enhanced virulence inemm1isolates lacking mutation(s) in thecsrS/csrRandrgggenes. Three mutations associated with elevated virulence were found in thesic(a virulence gene) promoter, thecsrRpromoter and therocAgene (acsrRpositive regulator).In vivocontribution of thesicpromoter androcAmutations to pathogenicity and lethality was confirmed in a GAS mouse model. Frequency of thesicpromoter mutation was significantly higher in STSSemm1isolates than in non-invasive STSS isolates; therocAgene mutation frequency was not significantly different among STSS and non-STSS isolates. STSSemm1isolates possessed a high frequency mutation in thesicpromoter. Thus, this mutation may play a role in the dynamics of virulence and STSS pathogenesis.
Human TRPA1 is a heat sensor displaying intrinsic U-shaped thermosensitivity
Authors: Moparthi Lavanya , Kichko Tatjana I. , Eberhardt Mirjam , Högestätt Edward D. , Kjellbom Per , Johanson Urban , Reeh Peter W. , Leffler Andreas , Filipovic Milos R. , Zygmunt Peter M.
Published: June 2016

Thermosensitive Transient Receptor Potential (TRP) channels are believed to respond to either cold or heat. In the case of TRP subtype A1 (TRPA1), there seems to be a species-dependent divergence in temperature sensation as non-mammalian TRPA1 is heat-sensitive whereas mammalian TRPA1 is sensitive to cold. It has been speculated but never experimentally proven that TRPA1 and other temperature-sensitive ion channels have the inherent capability of responding to both cold and heat. Here we show that redox modification and ligands affect human TRPA1 (hTRPA1) cold and heat sensing properties in lipid bilayer and whole-cell patch-clamp recordings as well as heat-evoked TRPA1-dependent calcitonin gene-related peptide (CGRP) release from mouse trachea. Studies of purified hTRPA1 intrinsic tryptophan fluorescence, in the absence of lipid bilayer, consolidate hTRPA1 as an intrinsic bidirectional thermosensor that is modified by the redox state and ligands. Thus, the heat sensing property of TRPA1 is conserved in mammalians, in which TRPA1 may contribute to sensing warmth and uncomfortable heat in addition to noxious cold.
Mucosal fluid evaporation is not the method of heat dissipation from fourth-degree laryngopharyngeal burns
Authors: Wan Jiang-bo , Zhang Guo-an , Qiu Yu-xuan , Wen Chun-quan , Fu Tai-ran
Published: June 2016

This study was designed to explore whether mucosal fluid evaporation represents a method of heat dissipation from thermal air inhalation injury and to assess laryngopharyngeal tissue damage according to heat quantity changes of dry air and vapour. Fifteen adult male beagles were divided into five groups to inhale heated air or vapour for 10 min as follows: control group (ordinary air), group I (91–110 °C heated air), group II (148–175 °C heated air), group III (209–227 °C heated air), and group IV (96 °C saturated vapour). The heat quantity changes of the dry air and vapour were calculated via thermodynamic formulas. The macroscopic and histological features of the laryngopharynxes were examined and assessed by various tissue damage grading systems. Group IV exhibited the most serious laryngopharyngeal damage, including cilia exfoliation, submucosal thrombosis, glandular atrophy, and chondrocyte degeneration, which is indicative of fourth-degree injury. The quality, heat quantity, and proportional reduction of heat quantity of vapour in group IV were all higher than those in the other groups. Furthermore, we found that mucosal fluid evaporation is not the method of heat dissipation from thermal air inhalation injury used by the airways. Laryngopharyngeal tissue damage depends chiefly on the heat quantity of vapour in the air.
CXCL10-Mediates Macrophage, but not Other Innate Immune Cells-Associated Inflammation in Murine Nonalcoholic Steatohepatitis
Authors: Tomita Kyoko , Freeman Brittany L. , Bronk Steven F. , LeBrasseur Nathan K. , White Thomas A. , Hirsova Petra , Ibrahim Samar H.
Published: June 2016

Nonalcoholic steatohepatitis (NASH) is an inflammatory lipotoxic disorder, but how inflammatory cells are recruited and activated within the liver is still unclear. We previously reported that lipotoxic hepatocytes release CXCL10-enriched extracellular vesicles, which are potently chemotactic for cells of the innate immune system. In the present study, we sought to determine the innate immune cell involved in the inflammatory response in murine NASH and the extent to which inhibition of the chemotactic ligand CXCL10 and its cognate receptor CXCR3 could attenuate liver inflammation, injury and fibrosis. C57BL/6J CXCL10−/−, CXCR3−/− and wild type (WT) mice were fed chow or high saturated fat, fructose, and cholesterol (FFC) diet. FFC-fed CXCL10−/− and WT mice displayed similar weight gain, metabolic profile, insulin resistance, and hepatic steatosis. In contrast, compared to the WT mice, FFC-fed CXCL10−/− mice had significantly attenuated liver inflammation, injury and fibrosis. Genetic deletion of CXCL10 reduced FFC-induced proinflammatory hepatic macrophage infiltration, while natural killer cells, natural killer T cells, neutrophils and dendritic cells hepatic infiltration were not significantly affected. Our results suggest that CXCL10−/− mice are protected against diet-induced NASH, in an obesity-independent manner. Macrophage-associated inflammation appears to be the key player in the CXCL10-mediated sterile inflammatory response in murine NASH.
Herpes simplex virus 1 induces egress channels through marginalized host chromatin
Authors: Myllys Markko , Ruokolainen Visa , Aho Vesa , Smith Elizabeth A. , Hakanen Satu , Peri Piritta , Salvetti Anna , Timonen Jussi , Hukkanen Veijo , Larabell Carolyn A. , Vihinen-Ranta Maija
Published: June 2016

Lytic infection with herpes simplex virus type 1 (HSV-1) induces profound modification of the cell nucleus including formation of a viral replication compartment and chromatin marginalization into the nuclear periphery. We used three-dimensional soft X-ray tomography, combined with cryogenic fluorescence, confocal and electron microscopy, to analyse the transformation of peripheral chromatin during HSV-1 infection. Our data showed an increased presence of low-density gaps in the marginalized chromatin at late infection. Advanced data analysis indicated the formation of virus-nucleocapsid-sized (or wider) channels extending through the compacted chromatin of the host. Importantly, confocal and electron microscopy analysis showed that these gaps frequently contained viral nucleocapsids. These results demonstrated that HSV-1 infection induces the formation of channels penetrating the compacted layer of cellular chromatin and allowing for the passage of progeny viruses to the nuclear envelope, their site of nuclear egress.
Differential induction of muscle atrophy pathways in two mouse models of spinal muscular atrophy
Authors: Deguise Marc-Olivier , Boyer Justin G. , McFall Emily R. , Yazdani Armin , De Repentigny Yves , Kothary Rashmi
Published: June 2016

Motor neuron loss and neurogenic atrophy are hallmarks of spinal muscular atrophy (SMA), a leading genetic cause of infant deaths. Previous studies have focused on deciphering disease pathogenesis in motor neurons. However, a systematic evaluation of atrophy pathways in muscles is lacking. Here, we show that these pathways are differentially activated depending on severity of disease in two different SMA model mice. Although proteasomal degradation is induced in skeletal muscle of both models, autophagosomal degradation is present only in Smn2B/− mice but not in the more severe Smn−/−; SMN2 mice. Expression of FoxO transcription factors, which regulate both proteasomal and autophagosomal degradation, is elevated in Smn2B/− muscle. Remarkably, administration of trichostatin A reversed all molecular changes associated with atrophy. Cardiac muscle also exhibits differential induction of atrophy between Smn2B/− and Smn−/−; SMN2 mice, albeit in the opposite direction to that of skeletal muscle. Altogether, our work highlights the importance of cautious analysis of different mouse models of SMA as distinct patterns of atrophy induction are at play depending on disease severity. We also revealed that one of the beneficial impacts of trichostatin A on SMA model mice is via attenuation of muscle atrophy through reduction of FoxO expression to normal levels.
Improved Separability Criteria Based on Bloch Representation of Density Matrices
Authors: Shen Shu-Qian , Yu Juan , Li Ming , Fei Shao-Ming
Published: June 2016

The correlation matrices or tensors in the Bloch representation of density matrices are encoded with entanglement properties. In this paper, based on the Bloch representation of density matrices, we give some new separability criteria for bipartite and multipartite quantum states. Theoretical analysis and some examples show that the proposed criteria can be more efficient than the previous related criteria.
Prolonged Culture of Aligned Skeletal Myotubes on Micromolded Gelatin Hydrogels
Authors: Bettadapur Archana , Suh Gio C. , Geisse Nicholas A. , Wang Evelyn R. , Hua Clara , Huber Holly A. , Viscio Alyssa A. , Kim Joon Young , Strickland Julie B. , McCain Megan L.
Published: June 2016

In vitro models of skeletal muscle are critically needed to elucidate disease mechanisms, identify therapeutic targets and test drugs pre-clinically. However, culturing skeletal muscle has been challenging due to myotube delamination from synthetic culture substrates approximately one week after initiating differentiation from myoblasts. In this study, we successfully maintained aligned skeletal myotubes differentiated from C2C12 mouse skeletal myoblasts for three weeks by utilizing micromolded (μmolded) gelatin hydrogels as culture substrates, which we thoroughly characterized using atomic force microscopy (AFM). Compared to polydimethylsiloxane (PDMS) microcontact printed (μprinted) with fibronectin (FN), cell adhesion on gelatin hydrogel constructs was significantly higher one week and three weeks after initiating differentiation. Delamination from FN-μprinted PDMS precluded robust detection of myotubes. Compared to a softer blend of PDMS μprinted with FN, myogenic index, myotube width and myotube length on μmolded gelatin hydrogels was similar one week after initiating differentiation. However, three weeks after initiating differentiation, these parameters were significantly higher on μmolded gelatin hydrogels compared to FN-μprinted soft PDMS constructs. Similar results were observed on isotropic versions of each substrate, suggesting that these findings are independent of substrate patterning. Our platform enables novel studies into skeletal muscle development and disease and chronic drug testing in vitro.
Label Distribution in Tissues of Wheat Seedlings Cultivated with Tritium-Labeled Leonardite Humic Acid
Authors: Kulikova Natalia A. , Abroskin Dmitry P. , Badun Gennady A. , Chernysheva Maria G. , Korobkov Viktor I. , Beer Anton S. , Tsvetkova Eugenia A. , Senik Svetlana V. , Klein Olga I. , Perminova Irina V.
Published: June 2016

Humic substances (HS) play important roles in the biotic-abiotic interactions of the root plant and soil contributing to plant adaptation to external environments. However, their mode of action on plants remains largely unknown. In this study the HS distribution in tissues of wheat seedlings was examined using tritium-labeled humic acid (HA) derived from leonardite (a variety of lignites) and microautoradiography (MAR). Preferential accumulation of labeled products from tritiated HA was found in the roots as compared to the shoots and endodermis was shown to be the major control point for radial transport of label into vascular system of plant. Tritium was also found in the stele and xylem tissues indicating that labeled products from tritiated HA could be transported to shoot tissues via the transpiration stream. Treatment with HA lead to an increase in the content of polar lipids of photosynthetic membranes. The observed accumulation of labeled HA products in root endodermis and positive impact on lipid synthesis are consistent with prior reported observations on physiological effects of HS on plants such as enhanced growth and development of lateral roots and improvement/repairs of the photosynthetic status of plants under stress conditions.
Allometric biomass partitioning under nitrogen enrichment: Evidence from manipulative experiments around the world
Authors: Peng Yunfeng , Yang Yuanhe
Published: June 2016

Allometric and optimal hypotheses have been widely used to explain biomass partitioning in response to resource changes for individual plants; however, little evidence has been reported from measurements at the community level across a broad geographic scale. This study assessed the nitrogen (N) effect on community-level root to shoot (R/S) ratios and biomass partitioning functions by synthesizing global manipulative experiments. Results showed that, in aggregate, N addition decreased the R/S ratios in various biomes. However, the scaling slopes of the allometric equations were not significantly altered by the N enrichment, possibly indicating that N-induced reduction of the R/S ratio is a consequence of allometric allocation as a function of increasing plant size rather than an optimal partitioning model. To further illustrate this point, we developed power function models to explore the relationships between aboveground and belowground biomass for various biomes; then, we generated the predicted root biomass from the observed shoot biomass and predicted R/S ratios. The comparison of predicted and observed N-induced changes of the R/S ratio revealed no significant differences between each other, supporting the allometric allocation hypothesis. These results suggest that allometry, rather than optimal allocation, explains the N-induced reduction in the R/S ratio across global biomes.
High- and Reproducible-Performance Graphene/II-VI Semiconductor Film Hybrid Photodetectors
Authors: Huang Fan , Jia Feixiang , Cai Caoyuan , Xu Zhihao , Wu Congjun , Ma Yang , Fei Guangtao , Wang Min
Published: June 2016

High- and reproducible-performance photodetectors are critical to the development of many technologies, which mainly include one-dimensional (1D) nanostructure based and film based photodetectors. The former suffer from a huge performance variation because the performance is quite sensitive to the synthesis microenvironment of 1D nanostructure. Herein, we show that the graphene/semiconductor film hybrid photodetectors not only possess a high performance but also have a reproducible performance. As a demo, the as-produced graphene/ZnS film hybrid photodetector shows a high responsivity of 1.7 × 107 A/W and a fast response speed of 50 ms and shows a highly reproducible performance, in terms of narrow distribution of photocurrent (38–65 μA) and response speed (40–60 ms) for 20 devices. Graphene/ZnSe film and graphene/CdSe film hybrid photodetectors fabricated by this method also show a high and reproducible performance. The general method is compatible with the conventional planar process and would be easily standardized and thus pay a way for the photodetector applications.
Behavioral and neurophysiological evidence for increased cognitive flexibility in late childhood
Authors: Wolff Nicole , Roessner Veit , Beste Christian
Published: June 2016

Executive functions, like the capacity to control and organize thoughts and behavior, develop from childhood to young adulthood. Although task switching and working memory processes are known to undergo strong developmental changes from childhood to adulthood, it is currently unknown how task switching processes are modulated between childhood and adulthood given that working memory processes are central to task switching. The aim of the current study is therefore to examine this question using a combined cue- and memory-based task switching paradigm in children (N = 25) and young adults (N = 25) in combination with neurophysiological (EEG) methods. We obtained an unexpected paradoxical effect suggesting that memory-based task switching is better in late childhood than in young adulthood. No group differences were observed in cue-based task switching. The neurophysiological data suggest that this effect is not due to altered attentional selection (P1, N1) or processes related to the updating, organization and implementation of the new task-set (P3). Instead, alterations were found in the resolution of task-set conflict and the selection of an appropriate response (N2) when a task has to be switched. Our observation contrasts findings showing that cognitive control mechanisms reach their optimal functioning in early adulthood.
Association of single nucleotide polymorphism rs3803662 with the risk of breast cancer
Authors: Yang Yuan , Wang Wenjing , Liu Guiyou , Yu Yingcui , Liao Mingzhi
Published: June 2016

Large scale association studies have identified the single nucleotide polymorphism rs3803662 associated with breast cancer risk. However, the sample size of most studies is too small. Here, we performed this meta-analysis to make the result more convincing. Relevant articles published up to 2016 were identified by searching the PubMed database. 13 studies, involving a total of 29405 participants, were included in the meta-analysis. Odds Ratios (ORs) with 95% confidence intervals (CIs) was calculated with random or fixed effects model. All data analyses were analyzed by Review Manger 5.3 software. In Caucasian subgroup: Dominant model (TT + CT vs CC): OR = 1.17 (1.06, 1.29), Recessive model (TT vs CT + CC): OR = 1.25 (1.13, 1.39) and Allele frequency (T vs C): OR = 1.15 (1.08, 1.22). The present meta-analysis suggests that rs3803662 polymorphism is significantly associated with breast cancer risk in Caucasian women and we did not find the association in Asian women.
Ti-O-O coordination bond caused visible light photocatalytic property of layered titanium oxide
Authors: Kong Xingang , Zeng Chaobin , Wang Xing , Huang Jianfeng , Li Cuiyan , Fei Jie , Li Jiayin , Feng Qi
Published: June 2016

The layered titanium oxide is a useful and unique precursor for the facile and rapid preparation of the peroxide layered titanium oxide H1.07Ti1.73O4·nH2O (HTO) crystal with enhanced visible light photoactivity. The H2O2 molecules as peroxide chemicals rapidly enter into the interlayers of HTO crystal, and coordinate with Ti within TiO6 octahedron to form a mass of Ti-O-O coordination bond in the interlayers. The introduction of these Ti-O-O coordination bonds result in lowering the band gap of HTO, and promoting the separation efficiency of the photo induced electron–hole pairs. Meanwhile, the photocatalytic investigation indicates that such peroxide HTO crystal has the enhanced photocatalytic performance for RhB degradation and water splitting to generate oxygen under visible light irradiating.
Relationship between Functional and Structural Changes in Diabetic Vessels in Optical Coherence Tomography Angiography
Authors: Miwa Yuko , Murakami Tomoaki , Suzuma Kiyoshi , Uji Akihito , Yoshitake Shin , Fujimoto Masahiro , Yoshitake Tatsuya , Tamura Yukino , Yoshimura Nagahisa
Published: June 2016

The decorrelation signals in optical coherence tomography angiography (OCTA) are derived from the flow of erythrocytes and concomitantly delineate the retinal vasculature. We compared the structural and functional characteristics of vascular lesions visualized in fluorescein angiography (FA), OCTA and en-face OCT images in 53 eyes (28 patients) with diabetic retinopathy (DR). The foveal avascular zone (FAZ) areas in OCTA images in the superficial layer almost corresponded to those in FA images. The FAZ areas in the en-face OCT images in the superficial layer were smaller than those in the FA images and correlated with each other, which agreed with the finding that en-face OCT images often delineated the vascular structure in the nonperfused areas in FA images. Microaneurysms appeared as fusiform, saccular, or coiled capillaries in OCTA images and ringed, round, or oval hyperreflective lesions in en-face OCT images. OCTA and en-face OCT images detected 41.0 ± 16.1% and 40.1 ± 18.6%, respectively, of microaneurysms in FA images, although both depicted only 13.9 ± 16.4%. The number of microaneurysms in FA images was correlated with that in OCTA and en-face OCT images. Comparisons of these modalities showed the associations and dissociations between blood flow and vascular structures, which improves the understanding of the pathogenesis of DR.
The influence of lithium on hippocampal volume in elderly bipolar patients: a study using voxel-based morphometry
Authors: Zung S , Souza-Duran F L , Soeiro-de-Souza M G , Uchida R , Bottino C M , Busatto G F , Vallada H
Published: June 2016

Recent studies have demonstrated that lithium (Li) exerts neuronal protective and regenerative effects both in vitro and in vivo. However, the effects of long-term Li treatment in the brain areas associated with memory impairment of elderly bipolar patients are still unknown. The aim of this study was to compare the hippocampal volumes of elderly bipolar patients using Li, elderly bipolar patients not using Li and healthy controls. Sociodemographic, clinical and magnetic resonance imaging data from 30 elderly euthymic bipolar patients who had been using Li for an average of >61 months; 27 elderly euthymic bipolar patients not taking Li for an average of 45 months; and 22 elderly healthy controls were analyzed. Volumetric differences in the hippocampus between groups were investigated with voxel-based morphometry (VBM) based on the Statistical Parametric Mapping technique. No statistical differences in sociodemographic and clinical characteristics and course of bipolar disorder between the two bipolar groups were observed. Using small volume correction in the VBM analysis (analysis of variance (ANOVA)), one voxel cluster of statistical significance was detected in the left hippocampus (P<0.05 corrected for multiple comparisons, extent threshold >10 voxels). Post hoc unpaired t-tests revealed increased left hippocampal volume in the Li-treated group compared with the non-Li-treated group, and decreased left hippocampal volume in the non-Li group relative to controls. Additional exploratory two-group comparisons indicated trends toward reduced right-hippocampal volumes in the non-Li-treated group relative to both the Li-treated group and controls. The findings suggested that the use of Li may influence the volume of the hippocampus, possibly due to its neuroprotective effects.
ToxicogenomicsIn vitro: Gene Expression Signatures for Differentiating Genotoxic Mechanisms
Authors: Buick Julie K. , Yauk Carole L.
Published: June 2016

Genotoxicity testing is a fundamental component of chemical assessment. It is used to estimate the ability of a chemical to damage DNA, which can ultimately lead to cancer or heritable mutations. Although the existing genotoxicity testing paradigm is sensitive, it lacks specificity, human relevance, and mechanistic insight into a chemical's mode of action. The use of predictive in vitro toxicogenomics using human cells to complement the current genotoxicity testing battery has been proposed as a means to address these shortcomings. In this chapter, we review the development and validation of predictive toxicogenomic signatures for genotoxicity using mammalian cells in culture. We also address the issue of suboptimal metabolic activation in many of the in vitro systems, which may lead to misinterpretation of the results. We emphasize the need for validated signatures to predict genotoxic outcomes that have been robustly tested across different cell culture systems, laboratories, gene expression platforms, and experimental designs. Our review of the literature suggests that this field has matured to a stage where it is ready for specific applications in human health risk assessment. However, the public release of validated predictive signatures and analytical methods is required for full implementation in routine risk assessment.
Transcriptomic Dose–Response Analysis for Mode of Action and Risk Assessment
Authors: Thomas Russell S. , Waters Michael D.
Published: June 2016

Microarray and RNA-seq technologies can play an important role in assessing the health risks associated with environmental exposures. The utility of gene expression data to predict hazard has been well documented. Early toxicogenomics studies used relatively high, single doses with minimal replication. Thus, they were not useful in understanding health risks at environmentally relevant doses. Until the past decade, application of toxicogenomics in dose–response assessment and determination of chemical mode of action has been limited. New transcriptomic biomarkers have evolved to detect chemical hazards in multiple tissues together with pathway methods to study biological effects across the full dose–response range and critical time course. Comprehensive low-dose datasets are now available and with the use of transcriptomic benchmark dose estimation techniques within a mode-of-action framework, the ability to incorporate informative genomic data into human health risk assessment has substantially improved. The key advantage to applying transcriptomic technology to risk assessment is both the sensitivity and comprehensive examination of direct and indirect molecular changes that lead to adverse outcomes.
Using Transcriptomics to Evaluate Thresholds in Genotoxicity Dose–Response
Authors: McMullen Patrick D. , Pendse Salil , Adeleye Yeyejide , Carmichael Paul L. , Andersen Melvin E. , Clewell Rebecca A.
Published: June 2016

Several genotoxic chemicals have been reported to produce threshold-shaped dose–response curves for mutation and genotoxicity assays, both in vivo and in vitro, challenging the current default practice for risk assessment of genotoxic chemicals, which assumes a linear dose–response below the lowest tested dose. Statistical methods cannot determine whether a biological threshold exists with sufficient confidence to overturn this assumption of linearity. Indeed, to truly define the shape of the dose–response curves, we must look to the underlying biology and develop targeted experiments to identify and measure the key processes governing the response of the cell to DNA damage. This chapter describes a series of studies aimed at defining the key transcriptional responses. Two approaches were taken to evaluate transcriptional responses preventing micronucleus induction: (1) comparison of gene signatures for several prototype compounds at a single chemical dose that led to a similar activation of the p53-DNA damage pathway (i.e. 1.5-fold increase in total p53); and (2) evaluation of a subset of chemicals with in-depth dose–response studies. The goal of these efforts was to determine the transcriptional pathways responsible for maintaining homeostasis at low levels of DNA damage, i.e., the biological underpinning of threshold-shaped dose–response curves for mutagenicity.
Dissecting Modes of Action of Non-genotoxic Carcinogens
Authors: Schaap Mirjam M. , van Benthem Jan , Jacobs Miriam N. , Colacci Annamaria , Kienhuis Anne S. , van Steeg Harry , Luijten Mirjam
Published: June 2016

In safety assessments of chemicals, genotoxic and carcinogenic potential is considered one of the basic requirements. Overall, regulatory guidelines for carcinogenicity testing focus on genotoxic potential, because the majority of carcinogens induce tumors by inflicting irreversible DNA damage in critical genes. However, there is a group of carcinogens that induce cancer via non-genotoxic mechanisms. Apart from the carcinogenicity bioassay, suitable assays to detect these chemicals hardly exist. This is mainly due to the diversity in mode of action of non-genotoxic carcinogens. We employed toxicogenomics in primary mouse hepatocytes to categorize non-genotoxic carcinogens according to their overlap in transcriptional profile. This approach, based on a limited set of significantly regulated genes, may be further improved by using a concentration range instead of a single concentration per chemical. We explored this by performing a case study using cyclosporine A and tacrolimus. Testing multiple concentrations strongly enhanced our approach to detect modes of actions of non-genotoxic carcinogens. We therefore propose to include a concentration range when using in vitro toxicogenomics approaches to detect non-genotoxic carcinogens. This approach is a promising tool for future safety assessments, since its applicability is not necessarily limited to carcinogens, but may comprise environmental and pharmaceutical chemicals in general.
Human Embryonic Stem Cells as Biological Models to Examine the Impact of Xenobiotics on the Genome and Epigenome
Authors: Recio Leslie
Published: June 2016

A number of human diseases are caused by environmental factors that can promote diseases by affecting changes in the genome or by affecting the epigenome, the regulatory network that controls the expression of genes. The primary focus of in vitro test systems used in safety assessment has been on direct cellular and molecular targets, apical measures of cellular health status, and DNA damage and toxicogenomic responses with limited direct measures of epigenomic impacts. Human embryonic stem cell-based biological assays can be used to assess traditional measures of cellular health status and determine the impact of toxicants on the genome and epigenome that regulates stem cell biology. Dysfunction from xenobiotic exposures of the highly regulated epigenetic programs that maintain stemness (self-renewal and pluripotency) and differentiation can produce aberrantly programmed descendent daughter cells leading to spontaneous abortions, birth defects, neurological disorders and other effects later in life as organisms respond to environmental and biochemical stimuli. Human embryonic stem cells offer a unique platform for developing bioassays aimed at assessing the impact of xenobiotics on the genome and epigenome that can be developed into short-term cell-based screening assays to predict reproductive and developmental toxicity.
Conazoles and Cancer: A Review
Authors: Nesnow Stephen
Published: June 2016

This chapter reviews the biochemical, molecular, toxicological and toxicogenomic effects of conazoles with an emphasis on their contribution to the tumorigenic activities of these agents in experimental systems. The development of conazoles as inhibitors of fungal CYP51 for pharmaceutical applications and their mechanism of the inhibition of CYP51 is discussed. The biochemical and biological effects of conazoles are reviewed, including inhibition of CYPs, induction of CYPs, increased liver weights, hepatic hypertrophy and hepatic cell proliferation and effects on serum cholesterol and triglyceride levels. A summary of the genotoxicity and tumorigenic effects of conazoles is presented and analyses of toxicogenomic studies in mice and rats (focusing on liver and thyroid tissues) are summarized. A mode of carcinogenic action for the induction of liver cancer in mice by propiconazole is presented. This mode of action is primarily based on the ability of propiconazole to induce a group of CYPs and its ability to inhibit CYP51. A series of key events that lead to the induction of hepatocellular adenomas and carcinomas is presented. The relevance of many of these key events identified in mice to the human situation is discussed. Finally, the toxicologic and genomic data on the modes of action of phenobarbital and propiconazole are compared and discussed.
Whole-cell detection of live lactobacillus acidophilus on aptamer-decorated porous silicon biosensors
Authors: Urmann K. , Arshavsky-Graham S. , Walter J. G. , Scheper T. , Segal E.
Published: June 2016

This work describes the design of label-free aptamer-based porous silicon biosensors for the direct capture ofLactobacillus acidophilus, a probiotic bacteria.
Use of aminothiophenol as an indicator for the analysis of silver nanoparticles in consumer products by surface-enhanced Raman spectroscopy
Authors: Nguyen Trang H. D. , Zhou Peng , Mustapha Azlin , Lin Mengshi
Published: June 2016

Silver nanoparticles (Ag NPs) are one of the top five engineered nanoparticles that have been used in various products.
In vitro monitoring of time and dose dependent cytotoxicity of aminated nanoparticles using Raman spectroscopy
Authors: Efeoglu Esen , Casey Alan , Byrne Hugh J.
Published: June 2016

Monitoring of time and dose dependent molecular changes by using Raman spectroscopy with the aid of multivariate analysis techniques and determination of Raman spectral markers of cellular toxicity.
β-Cyclodextrin-modified silver nanoparticles as colorimetric probes for the direct visual enantioselective recognition of aromatic α-amino acids
Authors: Liu Cunwei , Lian Jinyu , Liu Qiang , Xu Chunli , Li Baoxin
Published: June 2016

An assay relying on the distance-dependent optical properties of AgNPs and the different inclusion binding strengths of aromatic α-amino acids to the β-CD host was developed.
Development of a novel method for the bioanalysis of benfotiamine and sulbutiamine in cancer cells
Authors: Kim Jaeah , Hopper Christopher P. , Connell Kelsey H. , Darkhal Parisa , Zastre Jason A. , Bartlett Michael G.
Published: June 2016

Quantification of benfotiamine and sulbutiamine, synthetic thiamine analogs, in biological samples is an essential step toward understanding the role of these thiamine analogs on cancer cell proliferation.
Surface-functionalized hydrophilic monolayer of titanate and its application for dopamine detection
Authors: Matsui Hiroshi , Oaki Yuya , Imai Hiroaki
Published: June 2016

Surface-functionalized hydrophilic charge-neutral monolayers of titanate were synthesized through intercalation, grafting, and exfoliation processes.
Fabrication and multifunctional properties of ultrasmall water-soluble tungsten oxide quantum dots
Authors: Peng Huaping , Liu Pan , Lin Danwei , Deng Yani , Lei Yun , Chen Wei , Chen Yuanzhong , Lin Xinhua , Xia Xinghua , Liu Ailin
Published: June 2016

Novel ultrasmall water-soluble tungsten oxide quantum dots with multifunctional properties have been successfully developed by a facile and green method.
Star polymer synthesis via λ-orthogonal photochemistry
Authors: Hiltebrandt Kai , Kaupp Michael , Molle Edgar , Menzel Jan P. , Blinco James P. , Barner-Kowollik Christopher
Published: June 2016

λ-Orthogonal photo-induced ligation in two directions is introduced via a modular, light driven selective star shaped polymer formation.
Selective dual-purpose photocatalysis for simultaneous H2 evolution and mineralization of organic compounds enabled by a Cr2O3 barrier layer coated on Rh/SrTiO3
Authors: Cho Young-Jin , Moon Gun-hee , Kanazawa Tomoki , Maeda Kazuhiko , Choi Wonyong
Published: June 2016

Dual-purpose photocatalysis for H2 evolution with the simultaneous degradation of organic pollutants was achieved.
Crystal structure of a complex between β-glucopyranose and a macrocyclic receptor with dendritic multicharged water solubilizing chains
Authors: Mandal Pradeep K. , Kauffmann Brice , Destecroix Harry , Ferrand Yann , Davis Anthony P. , Huc Ivan
Published: June 2016

The first solid state structure of a synthetic receptor-monosaccharide host–guest complex crystallized from water is reported.
MOF catalysis of FeII-to-FeIII reaction for an ultrafast and one-step generation of the Fe2O3@MOF composite and uranium(vi) reduction by iron(ii) under ambient conditions
Authors: Xiong Yang Yang , Li Jian Qiang , Yan Chang Sheng , Gao Heng Ya , Zhou Jian Ping , Gong Le Le , Luo Ming Biao , Zhang Le , Meng Pan Pan , Luo Feng
Published: June 2016

Surface is for the first time attested to be one of outstanding merits of metal–organic frameworks (MOFs).
Compressed CO2mediated synthesis of bifunctional periodic mesoporous organosilicas with tunable porosity
Authors: Li Wei , Yang Yanjuan , Huang Xin , Wang Qian , Liu Lifei , Wang Meijin , Tan Xiuniang , Luo Tian , Patil Avinash J.
Published: June 2016

A facile and green method is proposed for the fabrication of bifunctional periodic mesoporous organosilicas using compressed CO2.
Secondary amine-functionalised metal–organic frameworks: direct syntheses versus tandem post-synthetic modifications
Authors: Keenan Luke L. , Hamzah Harina Amer , Mahon Mary F. , Warren Mark R. , Burrows Andrew D.
Published: June 2016

We compare two routes to prepare functionalised MOFs and show that direct synthesis with a functionalised dicarboxylic acid is better for zinc MOFs whereas post-synthetic modification is better for chromium MOFs.
Energetics, barriers and vibrational spectra of partially and fully hydrogenated hexagonal boron nitride
Authors: Kroes J. M. H. , Fasolino A. , Katsnelson M. I.
Published: June 2016

We study hydrogen chemisorption on hexagonal Boron Nitride (h-BN) at full coverage and low concentrations and provide new insights to understand and characterize hydrogenated h-BN.
Sign inversion of surface stress–charge response of bulk nanoporous nickel actuators with different surface states
Authors: Bai Qingguo , Si Conghui , Zhang Jie , Zhang Zhonghua
Published: June 2016

Bulk nanoporous nickel exhibits different electrochemical actuation behaviors and associated stress–charge response in strongly (NaOH) and weakly (NaF) adsorbed electrolytes.
HP-β-cyclodextrin as an inhibitor of amyloid-β aggregation and toxicity
Authors: Ren Baiping , Jiang Binbo , Hu Rundong , Zhang Mingzhen , Chen Hong , Ma Jie , Sun Yan , Jia Lingyun , Zheng Jie
Published: June 2016

HP-β-CD are not only nontoxic to cells, but also greatly inhibits Aβ fibrillization and reduces Aβ-induced toxicityviaits inner cavity.
Tuning the Schottky contacts in the phosphorene and graphene heterostructure by applying strain
Authors: Liu Biao , Wu Li-Juan , Zhao Yu-Qing , Wang Lin-Zhi , Caii Meng-Qiu
Published: June 2016

The structures and electronic properties of the phosphorene and graphene heterostructure are investigated by density functional calculations using the hybrid Heyd–Scuseria–Ernzerhof (HSE) functional.
The effects of cation–anion clustering on defect migration in MgAl2O4
Authors: Zamora Richard J. , Voter Arthur F. , Perez Danny , Perriot Romain , Uberuaga Blas P.
Published: June 2016

Magnesium aluminate spinel offers a range of exciting technological applications. We use accelerated molecular dynamics to illuminate new details about the kinetics of relevant lattice defects.
Substitution effect in reversible gel-liquid phase transformation polyoxometalate ionic liquid compounds
Authors: Wu Xuefei , Cai Huaxue , Wu Qingyin , Yan Wenfu
Published: June 2016

The substitution effect on a series of POM-type ionic liquids, has been investigated. The physicochemical properties of the ILs are highly related to their structures. When protons are substituted for ammonium, high conductivity and better thermostability are observed.
Theoretical investigation of low-valent uranium and transuranium complexes of a flexible small-cavity macrocycle: structural, formation reaction and redox properties
Authors: Bao Zhe , Zhao Hong-Bo , Qu Ning , Schreckenbach Georg , Pan Qing-Jiang
Published: June 2016

Size matching of a flexible macrocycle with low-valent actinide(III/IV) ions as well as their bonding determines different coordination modes.
Simultaneous observation of ligand-based fluorescence and phosphorescence within a magnesium-based CP/MOF at room temperature
Authors: Zhai Lu , Zhang Wen-Wei , Zuo Jing-Lin , Ren Xiao-Ming
Published: June 2016

A highly thermal MOF, comprised only of main-group light elements Mg2+ and H2EBTC2−, emits simultaneously fluorescence and phosphorescence, which arise from the H2EBTC2− ligand, at room temperature.
Adaptive free energy sampling in multidimensional collective variable space using boxed molecular dynamics
Authors: O'Connor Mike , Paci Emanuele , McIntosh-Smith Simon , Glowacki David R.
Published: June 2016

The past decade has seen the development of a new class of rare event methods in which molecular configuration space is divided into a set of boundaries/interfaces, and then short trajectories are run between boundaries. For all these methods, an important concern is how to generate boundaries. In this paper, we outline an algorithm for adaptively generating boundaries along a free energy surface in multi-dimensional collective variable (CV) space, building on the boxed molecular dynamics (BXD) rare event algorithm. BXD is a simple technique for accelerating the simulation of rare events and free energy sampling which has proven useful for calculating kinetics and free energy profiles in reactive and non-reactive molecular dynamics (MD) simulations across a range of systems, in both NVT and NVE ensembles. Two key developments outlined in this paper make it possible to automate BXD, and to adaptively map free energy and kinetics in complex systems. First, we have generalized BXD to multidimensional CV space. Using strategies from rigid-body dynamics, we have derived a simple and general velocity-reflection procedure that conserves energy for arbitrary collective variable definitions in multiple dimensions, and show that it is straightforward to apply BXD to sampling in multidimensional CV space so long as the Cartesian gradients ∇CV are available. Second, we have modified BXD to undertake on-the-fly statistical analysis during a trajectory, harnessing the information content latent in the dynamics to automatically determine boundary locations. Such automation not only makes BXD considerably easier to use; it also guarantees optimal boundaries, speeding up convergence. We have tested the multidimensional adaptive BXD procedure by calculating the potential of mean force for a chemical reaction recently investigated using both experimental and computational approaches – i.e., F + CD3CN → DF + D2CN in both the gas phase and a strongly coupled explicit CD3CN solvent. The results obtained using multidimensional adaptive BXD agree well with previously published experimental and computational results, providing good evidence for its reliability.
Dietary fatty acid composition is sensed by the NLRP3 inflammasome: omega-3 fatty acid (DHA) prevents NLRP3 activation in human macrophages
Authors: Martínez-Micaelo N. , González-Abuín N. , Pinent M. , Ardévol A. , Blay M.
Published: June 2016

The NLRP3 inflammasome is considered to be a pivotal host platform responsible for sensing of exogenous and endogenous danger signals, including those generated as a result of metabolic dysregulation, and for the subsequent, IL-1β-mediated orchestration of inflammatory response.
Antibody-independent identification of bovine milk-derived peptides in breast-milk
Authors: Picariello Gianluca , Addeo Francesco , Ferranti Pasquale , Nocerino Rita , Paparo Lorella , Passariello Annalisa , Dallas David C. , Robinson Randall C. , Barile Daniela , Canani Roberto Berni
Published: June 2016

For the first time, peptides derived from the digestion of bovine milk allergens (β-lactoglobulin and αs1-casein) have been identified in breast milk, using HPLC-mass spectrometry.
Effect of chitosan on the formation of acrylamide and hydroxymethylfurfural in model, biscuit and crust systems
Authors: Mogol Burçe Ataç , Gökmen Vural
Published: June 2016

Chitosan has been popular as a natural food preservative due to its antibacterial and antifungal activities.
Phenolic recovery and bioaccessibility from milled and finished whole grain oat products
Authors: Li Min , Koecher Katie , Hansen Laura , Ferruzzi Mario G.
Published: June 2016

Phenolics naturally present in whole grain oats are recovered well through traditional grain processing, milling and food processing.
Visible-light-activated copper(i) catalyzed oxidative Csp–Csp cross-coupling reaction: efficient synthesis of unsymmetrical conjugated diynes without ligands and base
Authors: Sagadevan Arunachalam , Lyu Ping-Chiang , Hwang Kuo Chu
Published: June 2016

An efficient and eco-friendly approach to Csp–Csp cross-coupling of terminal alkynes for the construction of unsymmetrical conjugated diynes via a visible-light-induced CuCl catalysed process at room temperature is described.
Alarms about structural alerts
Authors: Alves Vinicius M. , Muratov Eugene N. , Capuzzi Stephen J. , Politi Regina , Low Yen , Braga Rodolpho C. , Zakharov Alexey V. , Sedykh Alexander , Mokshyna Elena , Farag Sherif , Andrade Carolina H. , Kuz'min Victor E. , Fourches Denis , Tropsha Alexander
Published: June 2016

Integrative approach for safety assessment of new chemicals by combining structural alerts and QSAR models.
Chitosan–genipin film, a sustainable methodology for wine preservation
Authors: Nunes Cláudia , Maricato Élia , Cunha Ângela , Rocha M. Angélica M. , Santos Sofia , Ferreira Paula , Silva Manuel A. , Rodrigues Ana , Amado Osvaldo , Coimbra Joana , Silva Diana , Moreira André , Mendo Sónia , Lopes da Silva José A. , Pereira Eduarda , Rocha Sílvia M. , Coimbra Manuel A.
Published: June 2016

A novel approach is described using chitosan–genipin films as a sustainable method for wine preservation.
Dynamic etching of soluble surface layers with on-line inductively coupled plasma mass spectrometry detection – a novel approach for determination of complex metal oxide surface cation stoichiometry
Authors: Limbeck Andreas , Rupp Ghislain M. , Kubicek Markus , Téllez Helena , Druce John , Ishihara Tatsumi , Kilner John A. , Fleig Jürgen
Published: June 2016

In this work, an innovative approach for determining the surface stoichiometry of complex metal oxide (CMO) thin films is presented.