bluuebunny/crossref_metadata_2025 huggingface dataset:
Genetic interaction involving photoperiod-responsive Hd1 promotes early flowering under long-day conditions in rice
Authors: Subudhi Prasanta K. , De Leon Teresa B. , Tapia Ronald , Chai Chenglin , Karan Ratna , Ontoy John , Singh Pradeep K.
Published: January 2018

Although flowering in rice has been extensively investigated, few studies focused on genetic interactions. Flowering evaluation of two recombinant inbred line (RIL) populations involving photo-insensitive rice cultivars, Bengal and Cypress, and a weedy rice accession, PSRR-1, under natural long-day (LD) conditions, revealed six to ten quantitative trait loci (QTLs) and a major QTL interaction. In addition to the validation of several previously cloned genes using an introgression lines (IL) population of PSRR-1, a few novel QTLs were also discovered. Analysis of the marker profiles of the advanced backcross lines revealed that Hd1 allele of PSRR-1 was responsible for the photoperiodic response in the near-isogenic lines (NILs) developed in both cultivar backgrounds. Based on the phenotypic and genotypic data of the NILs, and NIL mapping population and the transcript abundance of key flowering pathway genes, we conclude that Hd1 and its interaction with a novel gene other than Ghd7 play an important role in controlling flowering under LD conditions. Our study demonstrates the important role of genetic interaction that regulates flowering time in rice and the need for further investigation to exploit it for breeding adaptable rice varieties.
Identification and whole-genome characterization of a recombinant Enterovirus B69 isolated from a patient with Acute Flaccid Paralysis in Niger, 2015
Authors: Fernandez-Garcia Maria Dolores , Majumdar Manasi , Kebe Ousmane , Ndiaye Kader , Martin Javier
Published: January 2018

Enterovirus B69 (EV-B69) is a rarely reported type and till date, only the full-length genome sequence of the prototype strain is available. Besides the prototype strain, only limited VP1 sequences of this virus from Africa and India are available in GenBank. In this study, we analyzed the full-length genome sequence of an EV-B69 strain recovered from a patient with acute flaccid paralysis in Niger. Compared with the EV-B69 prototype strain, it had 79.6% and 76.3% nucleotide identity in the complete genome and VP1 coding region, respectively. VP1 sequence analyses revealed also high variation in nucleotide similarity (68.9%–82.8%) with previously isolated EV-B69 strains in India and Africa. The great genetic divergence among EV-B69 strains indicates that this type is not a newly emergent virus, but has circulated for many years at low epidemic strength. Phylogenetic incongruity between structural and non-structural regions and similarity plot analyses revealed that multiple recombination events occurred during its evolution. This study expands the number of EV-B69 whole genome sequences which would help genomic comparison for future studies to understand the biological and pathogenic properties of this virus, assess its potential public health impact and comprehend the role of recombination in the evolution of enteroviruses.
The preference choices of Conopomorpha sinensis Bradley (Lepidoptera: Gracilariidae) for litchi based on its host surface characteristics and volatiles
Authors: Meng Xiang , Hu Junjie , Li Yanhua , Dai Jianqing , Guo Mingfang , Ouyang Gecheng
Published: January 2018

Conopomorpha sinensis Bradley is a host-specific pest of Litchi chinensis and Euphoria longan. Here, we demonstrated that C. sinensis has evolved special physical and chemical mechanisms for host plant location that enable it to survive and reproduce. Females favored laying their eggs on the convex surface of litchi fruit that had particular volatile characteristics. Experiments using a H-type olfactometer showed that female C. sinensis were attracted to litchi flowers, tender shoots, immature fruits, and mature fruits, with the highest attraction rate to mature fruits (74.67 ± 2.31%). There were no significant differences in the attraction of male C. sinensis to different litchi tissues. Further oviposition preference tests using the pericarp, pulp, and seeds of mature litchi fruits revealed that female C. sinensis prefer to lay their eggs on the pericarp. Litchi volatiles were found to be important in attracting C. sinensis to fruits for oviposition. Analysis of volatiles from different litchi tissues by HS-SPME-GC-MS revealed 31 similar volatiles, some of which may be important in the oviposition preference choices of C. sinensis on litchi fruit.
Novel disease-modifying anti-rheumatic drug iguratimod suppresses chronic experimental autoimmune encephalomyelitis by down-regulating activation of macrophages/microglia through an NF-κB pathway
Authors: Li Guangrui , Yamasaki Ryo , Fang Mei , Masaki Katsuhisa , Ochi Hirofumi , Matsushita Takuya , Kira Jun-ichi
Published: January 2018

We aimed to elucidate the effects of iguratimod, a widely used anti-rheumatic drug with no severe side effects, on chronic experimental autoimmune encephalomyelitis (EAE), an animal model of multiple sclerosis (MS). Iguratimod was orally administered to mice immunised with myelin oligodendrocyte glycoprotein peptide 35–55. Preventive administration of iguratimod from the time of immunisation was found to markedly reduce the clinical severity of acute and chronic EAE. Pathologically, iguratimod treatment significantly reduced demyelination and infiltration of CD3+T, F4/80+, and CD169+cells into the spinal cord, and suppressed macrophage/microglia activation in the parenchyma at the acute and chronic stages compared with vehicle treatment. Therapeutic administration of iguratimod after the onset of clinical symptoms significantly ameliorated the clinical severity of chronic EAE and reduced demyelination, T helper (Th)1/Th17 cell infiltration, macrophage/microglia activation, and nuclear factor (NF)-κB p65 and cyclooxygenase-2 expression in the spinal cord.In vitro, iguratimod treatment inhibited nuclear translocation of NF-κB p65 and down-regulated pro-inflammatory responses in macrophages and microglia. Our results suggest that iguratimod ameliorates acute and chronic EAE by suppressing inflammatory cell infiltration and immune cell activation, partly through inhibition of NF-κB p65, supporting the therapeutic potential of this drug for not only acute, but also chronic MS.
Field-controllable Spin-Hall Effect of Light in Optical Crystals: A Conoscopic Mueller Matrix Analysis
Authors: Samlan C. T. , Viswanathan Nirmal K.
Published: January 2018

Electric-field applied perpendicular to the direction of propagation of paraxial beam through an optical crystal dynamically modifies the spin-orbit interaction (SOI), leading to the demonstration of controllable spin-Hall effect of light (SHEL). The electro- and piezo-optic effects of the crystal modifies the radially symmetric spatial variation in the fast-axis orientation of the crystal, resulting in a complex pattern with different topologies due to the symmetry-breaking effect of the applied field. This introduces spatially-varying Pancharatnam-Berry type geometric phase on to the paraxial beam of light, leading to the observation of SHEL in addition to the spin-to-vortex conversion. A wave-vector resolved conoscopic Mueller matrix measurement and analysis provides a first glimpse of the SHEL in the biaxial crystal, identified via the appearance of weak circular birefringence. The emergence of field-controllable fast-axis orientation of the crystal and the resulting SHEL provides a new degree of freedom for affecting and controlling the spin and orbital angular momentum of photons to unravel the rich underlying physics of optical crystals and aid in the development of active photonic spin-Hall devices.
Stability Formulation for Integrated Opto-mechanic Phase Shifters
Authors: Ozer Yigit , Kocaman Serdar
Published: January 2018

Stability of opto-mechanical phase shifters consisting of waveguides and non-signal carrying control beams is investigated thoroughly and a formula determining the physical limitations has been proposed. Suggested formulation is not only beneficial to determine physical strength of the system but also advantageous to guess the response of the output to the fabrication errors. In the iterative analysis of cantilever and double-clamped beam geometrical configurations, the stability condition is revealed under the strong inter-dependence of the system parameters such as input power, device length and waveguide separation. Numerical calculations involving effective index modifications and opto-mechanic movements show that well-known cantilever beams are unstable and inadequate to generate φ = 180° phase difference, while double-clamped beam structures can be utilized to build functional devices. Ideal operation conditions are also presented in terms of both the device durability and the controllability of phase evolution.
Quasi-reference electrodes in confined electrochemical cells can result in in situ production of metallic nanoparticles
Authors: Perera Rukshan T. , Rosenstein Jacob K.
Published: January 2018

Nanoscale working electrodes and miniaturized electroanalytical devices are valuable platforms to probe molecular phenomena and perform chemical analyses. However, the inherent close distance of metallic electrodes integrated into a small volume of electrolyte can complicate classical electroanalytical techniques. In this study, we use a scanning nanopipette contact probe as a model miniaturized electrochemical cell to demonstrate measurable side effects of the reaction occurring at a quasi-reference electrode. We provide evidence for in situ generation of nanoparticles in the absence of any electroactive species and we critically analyze the origin, nucleation, dissolution and dynamic behavior of these nanoparticles as they appear at the working electrode. It is crucial to recognize the implications of using quasi-reference electrodes in confined electrochemical cells, in order to accurately interpret the results of nanoscale electrochemical experiments.
Pulmonary fibrosis in vivo displays increased p21 expression reduced by 5-HT2B receptor antagonists in vitro – a potential pathway affecting proliferation
Authors: Löfdahl Anna , Rydell-Törmänen Kristina , Larsson-Callerfelt Anna-Karin , Wenglén Christina , Westergren-Thorsson Gunilla
Published: January 2018

Serotonin (5-hydroxytryptamine) has repeatedly been associated with the development of fibrotic disorders such as pulmonary fibrosis. By blocking the binding of 5-HT to 5-HT2B receptors with receptor antagonists, several pro-fibrotic mechanisms can be inhibited. Bleomycin-induced pulmonary fibrosis is a model used to evaluate pathological mechanisms and pharmacological interventions. Previously we have shown attenuated fibrosis in systemic bleomycin-treated mice following treatment with two 5-HT2B receptor antagonists (EXT5 and EXT9). Our aim is to further identify cellular effects and signaling pathways associated with the anti-fibrotic effects of EXT5/9. Gene expressions in lung tissues from systemic bleomycin-treated mice were examined, revealing significant increased expression of Cdkn1α (a gene coding for p21), particularly in distal regions of the lung. In vitro studies in human lung fibroblasts revealed increased levels of p21 (p = 0.0032) and pAkt (p = 0.12) following treatment with 5-HT (10 µM). The induction of p21 and pAkt appears to be regulated by 5-HT2B receptors, with diminished protein levels following EXT9-treatment (p21 p = 0.0024, pAkt p = 0.15). Additionally, 5-HT induced fibroblast proliferation, an event significantly reduced by EXT5 (10 µM) and EXT9 (10 µM). In conclusion, our results suggest that 5-HT2B receptor antagonism attenuates pulmonary fibrosis in part by anti-proliferative effects, associated with inhibited pAkt/p21 signaling pathway.
Recombinant Mtb9.8 of Mycobacterium bovis stimulates TNF-α and IL-1β secretion by RAW264.7 macrophages through activation of NF-κB pathway via TLR2
Authors: Liu Shuqing , Jia Hong , Hou Shaohua , Xin Ting , Guo Xiaoyu , Zhang Gaimei , Gao Xintao , Li Ming , Zhu Wuyang , Zhu Hongfei
Published: January 2018

The Mtb9.8 antigenic protein ofMycobacterium bovis/Mycobacterium tuberculosishas been identified as a target of the T-cell response. However, the interaction of Mtb9.8 with Toll-like receptors (TLRs) and the relevant signaling pathways have not been fully clarified. In this study, recombinant Mtb9.8 (rMtb9.8) derived fromM. bovis-stimulated RAW264.7 cells initiated the secretion of TNF-α and IL-1β in a dose-dependent manner. Blocking assays show that TLR2-neutralizing antibody decreases the production of TNF-α and IL-1β. Moreover, NF-κB activation is associated with TNF-α and IL-1β production by rMtb9.8 stimulation, and rMtb9.8 stimulation also induces the phosphorylation of NF-κB p65 at Ser536 and its rapid nuclear translocation in RAW264.7 cells. Furthermore, NF-κB luciferase activity is rapidly activated in response to rMtb9.8 in RAW264.7 cells and is also significantly increased in rMtb9.8-induced HEK293-TLR2. However, these activations were abrogated in cells with a dominant-negative mutation of NF-κB p65 and by treatment with anti-TLR2 antibody. We also find that rMtb9.8 induces the activation of IRF-1. These findings indicate thatM. bovis-derived rMtb9.8 activates the NF-κB pathway via TLR2 in RAW264.7 cells. In particular, it phosphorylates NF-κB p65 at Ser536 and induces nuclear translocation, thereby leading to the production of TNF-α and IL-1β, which correlates with the induction of IRF-1.
Multi-radial LBP Features as a Tool for Rapid Glomerular Detection and Assessment in Whole Slide Histopathology Images
Authors: Simon Olivier , Yacoub Rabi , Jain Sanjay , Tomaszewski John E. , Sarder Pinaki
Published: January 2018

We demonstrate a simple and effective automated method for the localization of glomeruli in large (~1 gigapixel) histopathological whole-slide images (WSIs) of thin renal tissue sections and biopsies, using an adaptation of the well-known local binary patterns (LBP) image feature vector to train a support vector machine (SVM) model. Our method offers high precision (>90%) and reasonable recall (>70%) for glomeruli from WSIs, is readily adaptable to glomeruli from multiple species, including mouse, rat, and human, and is robust to diverse slide staining methods. Using 5 Intel(R) Core(TM) i7-4790 CPUs with 40 GB RAM, our method typically requires ~15 sec for training and ~2 min to extract glomeruli reproducibly from a WSI. Deploying a deep convolutional neural network trained for glomerular recognition in tandem with the SVM suffices to reduce false positives to below 3%. We also apply our LBP-based descriptor to successfully detect pathologic changes in a mouse model of diabetic nephropathy. We envision potential clinical and laboratory applications for this approach in the study and diagnosis of glomerular disease, and as a means of greatly accelerating the construction of feature sets to fuel deep learning studies into tissue structure and pathology.
Mycorrhiza stimulates root-hair growth and IAA synthesis and transport in trifoliate orange under drought stress
Authors: Liu Chun-Yan , Zhang Fei , Zhang De-Jian , Srivastava AK , Wu Qiang-Sheng , Zou Ying-Ning
Published: January 2018

Root-hair growth and development regulated by soil microbes is associated with auxin. In this background, we hypothesized that mycorrhizal fungal inoculation induces greater root-hair growth through stimulated auxin synthesis and transport under water stress conditions. Trifoliate orange (Poncirus trifoliata) was inoculated with an arbuscular mycorrhizal (AM) fungus (Funneliformis mosseae) under well-watered (WW) and drought stress (DS) for 9 weeks. Compared with non-AM seedlings, AM seedlings displayed significantly higher density, length, and diameter of root hairs and root indoleacetic acid (IAA) level, whereas lower total root IAA efflux, regardless of soil moisture status. Root PtYUC3 and PtYUC8 involved in IAA biosynthesis were up-regulated by mycorrhization under WW and DS, whereas AM-modulated expression in PtTAA1, PtTAR2, PtYUC4, and PtYUC6 depended on status of soil moisture. Mycorrhizal inoculation down-regulated the transcript level of root auxin efflux carriers like PtPIN1 and PtPIN3, whereas significantly up-regulated the expression of root auxin-species influx carriers like PtABCB19 and PtLAX2 under DS. These results indicated that AMF-stimulated greater root-hair growth of trifoliate orange under DS that is independent on AMF species is related with mycorrhiza-modulated auxin synthesis and transport, which benefits the host plant to enhance drought tolerance.
Adipocyte-specific expression of C-type natriuretic peptide suppresses lipid metabolism and adipocyte hypertrophy in adipose tissues in mice fed high-fat diet
Authors: Bae Cho-Rong , Hino Jun , Hosoda Hiroshi , Son Cheol , Makino Hisashi , Tokudome Takeshi , Tomita Tsutomu , Hosoda Kiminori , Miyazato Mikiya , Kangawa Kenji
Published: January 2018

C-type natriuretic peptide (CNP) is expressed in diverse tissues, including adipose and endothelium, and exerts its effects by binding to and activating its receptor, guanylyl cyclase B. Natriuretic peptides regulate intracellular cGMP and phosphorylated vasodilator-stimulated phosphoprotein (VASP). We recently revealed that overexpression of CNP in endothelial cells protects against high-fat diet (HFD)-induced obesity in mice. Given that endothelial CNP affects adipose tissue during obesity, CNP in adipocytes might directly regulate adipocyte function during obesity. Therefore, to elucidate the effect of CNP in adipocytes, we assessed 3T3-L1 adipocytes and transgenic (Tg) mice that overexpressed CNP specifically in adipocytes (A-CNP). We found that CNP activates the cGMP–VASP pathway in 3T3-L1 adipocytes. Compared with Wt mice, A-CNP Tg mice showed decreases in fat weight and adipocyte hypertrophy and increases in fatty acid β-oxidation, lipolysis-related gene expression, and energy expenditure during HFD-induced obesity. These effects led to decreased levels of the macrophage marker F4/80 in the mesenteric fat pad and reduced inflammation. Furthermore, A-CNP Tg mice showed improved glucose tolerance and insulin sensitivity, which were associated with enhanced insulin-stimulated Akt phosphorylation. Our results suggest that CNP overexpression in adipocytes protects against adipocyte hypertrophy, excess lipid metabolism, inflammation, and decreased insulin sensitivity during HFD-induced obesity.
Solitons in a modified discrete nonlinear Schrödinger equation
Authors: Molina Mario I.
Published: January 2018

We study the bulk and surface nonlinear modes of a modified one-dimensional discrete nonlinear Schrödinger (mDNLS) equation. A linear and a modulational stability analysis of the lowest-order modes is carried out. While for the fundamental bulk mode there is no power threshold, the fundamental surface mode needs a minimum power level to exist. Examination of the time evolution of discrete solitons in the limit of strongly localized modes, suggests ways to manage the Peierls-Nabarro barrier, facilitating in this way a degree of soliton steering. The long-time propagation of an initially localized excitation shows that, at long evolution times, nonlinear effects become negligible and as a result, the propagation becomes ballistic. The qualitative similarity of the results for the mDNLS to the ones obtained for the standard DNLS, suggests that this kind of discrete soliton is an robust entity capable of transporting an excitation across a generic discrete medium that models several systems of interest.
Spinal cholinergic interneurons differentially control motoneuron excitability and alter the locomotor network operational range
Authors: Bertuzzi Maria , Ampatzis Konstantinos
Published: January 2018

While cholinergic neuromodulation is important for locomotor circuit operation, the specific neuronal mechanisms that acetylcholine employs to regulate and fine-tune the speed of locomotion are largely unknown. Here, we show that cholinergic interneurons are present in the zebrafish spinal cord and differentially control the excitability of distinct classes of motoneurons (slow, intermediate and fast) in a muscarinic dependent manner. Moreover, we reveal that m2-type muscarinic acetylcholine receptors (mAChRs) are present in fast and intermediate motoneurons, but not in the slow motoneurons, and that their activation decreases neuronal firing. We also reveal a strong correlation between the muscarinic receptor configuration on motoneurons and the ability of the animals to locomote at different speeds, which might serve as a plasticity mechanism to alter the operational range of the locomotor networks. These unexpected findings provide new insights into the functional flexibility of motoneurons and how they execute locomotion at different speeds.
Maximum field emission current density of CuO nanowires: theoretical study using a defect-related semiconductor field emission model and in situ measurements
Authors: Lin Zufang , Zhao Peng , Ye Peng , Chen Yicong , Gan Haibo , She Juncong , Deng Shaozhi , Xu Ningsheng , Chen Jun
Published: January 2018

In this study, we proposed a theoretical model for one-dimensional semiconductor nanowires (NWs), taking account of the defect-related electrical transport process. The maximum emission current density was calculated by considering the influence of Joule heating, using a one-dimensional heat equation. The field emission properties of individual CuO NWs with different electrical properties were studied using an in situ experimental technique. The experimental results for maximum emission current density agreed well with the theoretical predictions and suggested that multiple conduction mechanisms were active. These may be induced by the concentration of defects in the CuO NW. The concentration of defects and the transport mechanisms were found to be key factors influencing the maximum field emission current density of the semiconductor NW. As is limited by the change of resistivity with temperature, only thermal runaway can trigger breakdown in CuO NWs.
The effects of glyphosate, glufosinate, paraquat and paraquat-diquat on soil microbial activity and bacterial, archaeal and nematode diversity
Authors: Dennis Paul G. , Kukulies Tegan , Forstner Christian , Orton Thomas G. , Pattison Anthony B.
Published: January 2018

In this study, we investigated the effects of one-off applications of glyphosate, glufosinate, paraquat, and paraquat-diquat on soil microbial diversity and function. All herbicides were added to soil as pure compounds at recommended dose and were incubated under laboratory conditions for 60 days. High-throughput phylogenetic marker gene sequencing revealed that none of the herbicides significantly influenced the richness, evenness and composition of bacterial and archaeal communities. Likewise, the diversity, composition and size of nematode communities were not significantly influenced by any of the herbicides. From a functional perspective, herbicides did not significantly affect fluorescein diacetate hydrolysis (FDA) and beta-glucosidase activities. Furthermore, the ability of soil organisms to utilise 15 substrates was generally unaffected by herbicide application. The only exception to this was a temporary impairment in the ability of soil organisms to utilise three organic acids and an amino acid. Given the global and frequent use of these herbicides, it is important that future studies evaluate their potential impacts on microbial communities in a wider-range of soils and environmental conditions.
Mapping the interaction site and effect of the Siglec-9 inflammatory biomarker on human primary amine oxidase
Authors: Lopes de Carvalho Leonor , Elovaara Heli , de Ruyck Jerôme , Vergoten Gerard , Jalkanen Sirpa , Guédez Gabriela , Salminen Tiina A.
Published: January 2018

Human primary amine oxidase (hAOC3), also known as vascular adhesion protein 1, mediates leukocyte rolling and trafficking to sites of inflammation by a multistep adhesion cascade. hAOC3 is absent on the endothelium of normal tissues and is kept upregulated during inflammatory conditions, which is an applicable advantage for imaging inflammatory diseases. Sialic acid binding immunoglobulin like-lectin 9 (Siglec-9) is a leukocyte ligand for hAOC3. The peptide (CARLSLSWRGLTLCPSK) based on the region of Siglec-9 that interacts with hAOC3, can be used as a specific tracer for hAOC3-targeted imaging of inflammation using Positron Emission Tomography (PET). In the present study, we show that the Siglec-9 peptide binds to hAOC3 and triggers its amine oxidase activity towards benzylamine. Furthermore, the hAOC3 inhibitors semicarbazide and imidazole reduce the binding of wild type and Arg/Ala mutated Siglec-9 peptides to hAOC3. Molecular docking of the Siglec-9 peptide is in accordance with the experimental results and predicts that the R3 residue in the peptide interacts in the catalytic site of hAOC3 when the topaquinone cofactor is in the non-catalytic on-copper conformation. The predicted binding mode of Siglec-9 peptide to hAOC3 is supported by the PET studies using rodent, rabbit and pig AOC3 proteins.
Superficial Slow Rhythms Integrate Cortical Processing in Humans
Authors: Halgren Mila , Fabó Daniel , Ulbert István , Madsen Joseph R. , Erőss Lorand , Doyle Werner K. , Devinsky Orrin , Schomer Donald , Cash Sydney S. , Halgren Eric
Published: January 2018

The neocortex is composed of six anatomically and physiologically specialized layers. It has been proposed that integration of activity across cortical areas is mediated anatomically by associative connections terminating in superficial layers, and physiologically by slow cortical rhythms. However, the means through which neocortical anatomy and physiology interact to coordinate neural activity remains obscure. Using laminar microelectrode arrays in 19 human participants, we found that most EEG activity is below 10-Hz (delta/theta) and generated by superficial cortical layers during both wakefulness and sleep. Cortical surface grid, grid-laminar, and dual-laminar recordings demonstrate that these slow rhythms are synchronous within upper layers across broad cortical areas. The phase of this superficial slow activity is reset by infrequent stimuli and coupled to the amplitude of faster oscillations and neuronal firing across all layers. These findings support a primary role of superficial slow rhythms in generating the EEG and integrating cortical activity.
The Molecular Basis of the Sodium Dodecyl Sulfate Effect on Human Ubiquitin Structure: A Molecular Dynamics Simulation Study
Authors: Jafari Majid , Mehrnejad Faramarz , Rahimi Fereshteh , Asghari S. Mohsen
Published: January 2018

To investigate the molecular interactions of sodium dodecyl sulfate (SDS) with human ubiquitin and its unfolding mechanisms, a comparative study was conducted on the interactions of the protein in the presence and absence of SDS at different temperatures using six independent 500 ns atomistic molecular dynamics (MD) simulations. Moreover, the effects of partial atomic charges on SDS aggregation and micellar structures were investigated at high SDS concentrations. The results demonstrated that human ubiquitin retains its native-like structure in the presence of SDS and pure water at 300 K, while the conformation adopts an unfolded state at a high temperature. In addition, it was found that both SDS self-assembly and the conformation of the resulting protein may have a significant effect of reducing the partial atomic charges. The simulations at 370 K provided evidence that the SDS molecules disrupted the first hydration shell and expanded the hydrophobic core of ubiquitin, resulting in complete protein unfolding. According to these results, SDS and temperature are both required to induce a completely unfolded state under ambient conditions. We believe that these findings could be useful in protein folding/unfolding studies and structural biology.
Toward reliable population estimates of wolves by combining spatial capture-recapture models and non-invasive DNA monitoring
Authors: López-Bao J. V. , Godinho R. , Pacheco C. , Lema F. J. , García E. , Llaneza L. , Palacios V. , Jiménez J.
Published: January 2018

Decision-makers in wildlife policy require reliable population size estimates to justify interventions, to build acceptance and support in their decisions and, ultimately, to build trust in managing authorities. Traditional capture-recapture approaches present two main shortcomings, namely, the uncertainty in defining the effective sampling area, and the spatially-induced heterogeneity in encounter probabilities. These limitations are overcome using spatially explicit capture-recapture approaches (SCR). Using wolves as case study, and non-invasive DNA monitoring (faeces), we implemented a SCR with a Poisson observation model in a single survey to estimate wolf density and population size, and identify the locations of individual activity centres, in NW Iberia over 4,378 km2. During the breeding period, posterior mean wolf density was 2.55 wolves/100 km2(95%BCI = 1.87–3.51), and the posterior mean population size was 111.6 ± 18.8 wolves (95%BCI = 81.8–153.6). From simulation studies, addressing different scenarios of non-independence and spatial aggregation of individuals, we only found a slight underestimation in population size estimates, supporting the reliability of SCR for social species. The strategy used here (DNA monitoring combined with SCR) may be a cost-effective way to generate reliable population estimates for large carnivores at regional scales, especially for endangered species or populations under game management.
A vibrational circular dichroism (VCD) methodology for the measurement of enantiomeric excess in chiral compounds in the solid phase and for the complementary use of NMR and VCD techniques in solution: the camphor case
Authors: Quesada-Moreno María Mar , Virgili Albert , Monteagudo Eva , Claramunt Rosa M. , Avilés-Moreno Juan Ramón , López-González Juan Jesús , Alkorta Ibon , Elguero José
Published: January 2018

For the first time, it is shown that VCD spectroscopy can be used to determine the % ee in chiral solid samples.
Immobilization of membrane proteins on solid supports using functionalized β-sheet peptides and click chemistry
Authors: Hoi Hiofan , Jiménez Castellanos Antonio , Aminpour Maral , He Yuan , Zhou Hang , Abraham Sinoj , Montemagno Carlo D.
Published: January 2018

Functionalized beta-sheet peptide for stabilization and immobilizaton of membrane proteins.
Morpholinium chloroindate(iii) complex: a rare acentric structural arrangement leading to piezoelectric properties
Authors: Owczarek Magdalena , Szklarz Przemysław , Moskwa Marcin , Jakubas Ryszard
Published: January 2018

In(iii)-Based morpholinium complex, [C4H10NO]+[InCl5(C4H10NO)]−: crystal structure, origin of the structure polarity, and evidence of piezoelectric properties.
Contiguous multiple π-coordination of π-conjugated polyenes: bonding nature and charge delocalization behaviour of polyene–(palladium chain) sandwich clusters
Authors: Yamane Mariko , Yamashita Mitsuki , Yamamoto Koji , Murahashi Tetsuro
Published: January 2018

We report the bonding nature and charge delocalization behaviour of a series of polyene–(palladium chain) sandwich clusters through systematic 13C NMR analysis and molecular orbital analysis.
Modulating the properties of multi-functional molecular devices consisting of zigzag gallium nitride nanoribbons by different magnetic orderings: a first-principles study
Authors: Chen Tong , Guo Chengkun , Xu Liang , Li Quan , Luo Kaiwu , Liu Desheng , Wang Lingling , Long Mengqiu
Published: January 2018

The highest rectification ratio reaches 4.9 × 109 in the spin-down current of ZGaNNRs-HN.
Patterned polyaniline encapsulated in titania nanotubes for electrochromism
Authors: Lv Haiming , Wang Yi , Pan Lei , Zhang Leipeng , Zhang Hangchuan , Shang Lei , Qu Huiying , Li Na , Zhao Jiupeng , Li Yao
Published: January 2018

A TiO2 nanotube array (TNA) film is used as a transparent electrochromic material and a TNA/polyaniline patterned hybrid electrochromic film is utilized as an information display material.
H-Abstraction reactions by OH, HO2, O, O2 and benzyl radical addition to O2 and their implications for kinetic modelling of toluene oxidation
Authors: Pelucchi M. , Cavallotti C. , Faravelli T. , Klippenstein S. J.
Published: January 2018

Theoretical study of relevant reactions in toluene oxidation.
In situ FTIR studies on the oxidation of isopropyl alcohol over SnO2 as a function of temperature up to 600 °C and a comparison to the analogous plasma-driven process
Authors: Christensen P. A. , Mashhadani Z. T. A. W. , Md Ali Abd Halim Bin
Published: January 2018

This paper report the application of in situ reflectance Fourier Transform InfraRed spectroscopy to the study of the thermal and plasma driven reaction of IsoPropyl Alcohol (IPA) at SnO2-coated Macor.
Thermoelectric properties of Ag-doped CuS nanocomposites synthesized by a facile polyol method
Authors: Tarachand Tarachand , Hussain S. , Lalla N. P. , Kuo Y.-K. , Lakhani A. , Sathe V. G. , Deshpande U. , Okram G. S.
Published: January 2018

Single crystalline hexagonal nanodisks (NDs) of covellite CuS and temperature dependent thermoelectric figure of merit of Ag-doped CuS nanocomposites.
Homogeneous and heterogeneous dynamics in native and denatured bovine serum albumin
Authors: Ameseder Felix , Radulescu Aurel , Khaneft Marina , Lohstroh Wiebke , Stadler Andreas M.
Published: January 2018

Quasielastic incoherent neutron spectroscopy experiments reveal that chemical denaturation significantly modifies the internal dynamics of bovine serum albumin.
Designed transition metal catalysts for intracellular organic synthesis
Authors: Bai Yugang , Chen Junfeng , Zimmerman Steven C.
Published: January 2018

A review of progress, challenges, and future prospects in developing transition metal catalysts for intracellular organic synthesis.
Ethylene glycol-mediated rapid synthesis of carbon-coated ZnFe2O4nanoflakes with long-term and high-rate performance for lithium-ion batteries
Authors: Gao Guoxin , Shi Lei , Lu Shiyao , Gao Ting , Li Zhaoyang , Gao Yiyang , Ding Shujiang
Published: January 2018

A novel carbon hybrid structure of carbon-coated ZnFe2O4nanoflakes is developed in this research with long-term and high-rate lithium storage capability.
Eu(iii) and Cm(iii) tetracarbonates – in the quest for the limiting species in solution
Authors: Janicki Rafał , Lindqvist-Reis Patric
Published: January 2018

The luminescence spectra of solids [C(NH2)3][Y:M(CO3)4]·2H2O (M = Eu, Cm) were used to establish the stoichiometry and stability of the limiting species of the aqueous Eu(iii) and Cm(iii) carbonate systems at different temperatures and in a broad range of ionic strengths.
A sustainable procedure toward alkyl arylacetates: palladium-catalysed direct carbonylation of benzyl alcohols in organic carbonates
Authors: Li Yahui , Wang Zechao , Wu Xiao-Feng
Published: January 2018

A sustainable procedure for the synthesis of various alkyl arylacetates from benzyl alcohols has been developed.
The cytochrome c–cyclo[6]aramide complex as a supramolecular catalyst in methanol
Authors: Pan Wang , Mao Lijun , Shi Mingsong , Fu Yonghong , Jiang Xiaomin , Feng Wen , He Youzhou , Xu Dingguo , Yuan Lihua
Published: January 2018

A hydrogen-bonded aromatic amide macrocycle forms a host–guest complex with cytochrome c, which acts as a supramolecular catalyst for the oxidation of benzhydrol even at low temperatures.
Hydrophobic Cu12Sb4S13-deposited photothermal film for interfacial water evaporation and thermal antibacterial activity
Authors: Song Chuanqi , Li Tianchan , Guo Wei , Gao Yan , Yang Chunyu , Zhang Qun , An Di , Huang Weicheng , Yan Mei , Guo Chongshen
Published: January 2018

Cu12Sb4S13photothermal film realized interfacial water evaporation, simulation of solar salt formation, and thermal antibacterial activity simultaneously.
Double-shelled hollow mesoporous silica nanospheres as an acid–base bifunctional catalyst for cascade reactions
Authors: You Chunzi , Yu Chunqi , Yang Xiaohui , Li Yudong , Huo Hang , Wang Zhe , Jiang Yanqiu , Xu Xianzhu , Lin Kaifeng
Published: January 2018

Double-shelled hollow mesoporous silica nanospheres as an acid–base bifunctional catalyst for cascade reactions.
Porphyrins in troubled times: a spotlight on porphyrins and their metal complexes for explosives testing and CBRN defense
Authors: Kielmann Marc , Prior Caroline , Senge Mathias O.
Published: January 2018

A critical perspective on (metallo)porphyrins in security-related applications: the past, present and future of explosives detection, CBRN defense, and beyond.
A dual channel sulphur-containing a macrocycle functionalised BODIPY probe for the detection of Hg(ii) in a mixed aqueous solution
Authors: Lo Presti Maria , Martínez-Máñez Ramon , Ros-Lis José V. , Batista Rosa M. F. , Costa Susana P. G. , M. Raposo M. Manuela , Sancenón Félix
Published: January 2018

Probe 1, containing a BODIPY fluorophore, was able to selectively detect Hg(ii) in water–acetonitrile 95 : 5 solutions by marked colour changes and emission enhancement.
Ni-MOF nanosheet arrays: efficient non-noble-metal electrocatalysts for non-enzymatic monosaccharide sensing
Authors: Lu Wenbo , Wu Xiufeng
Published: January 2018

A Ni-based metal–organic framework nanosheet array as an ordered 3D material shows high electrocatalytic activity toward glucose oxidation in alkaline medium.
How to distinguish between interacting and noninteracting molecules in tunnel junctions
Authors: Sierra Miguel A. , Sánchez David , Garrigues Alvar R. , del Barco Enrique , Wang Lejia , Nijhuis Christian A.
Published: January 2018

It is shown that a magnetic field serves as a tool to distinguish between interacting and noninteracting molecules in transport experiments.
Direct measurement of surface charge distribution in phase separating supported lipid bilayers
Authors: Fuhs Thomas , Klausen Lasse Hyldgaard , Sønderskov Steffan Møller , Han Xiaojun , Dong Mingdong
Published: January 2018

The local surface charge density of the cell membrane influences regulation and localization of membrane proteins.
The influence of Bacillus subtilis on tin-coated copper in an aqueous environment
Authors: Xiong Ruilin , Xiao Kui , Yi Pan , Hu Yuting , Dong Chaofang , Wu Junsheng , Li Xiaogang
Published: January 2018

The effect of Bacillus subtilis (BS) on the corrosion behaviour of tin-coated copper was investigated by exposing the sample to a culture medium inoculated with BS.
Covalent incorporation of tobacco mosaic virus increases the stiffness of poly(ethylene glycol) diacrylate hydrogels
Authors: Southan A. , Lang T. , Schweikert M. , Tovar G. E. M. , Wege C. , Eiben S.
Published: January 2018

Tuning hydrogel properties with viruses.
The role of EDTA on rutile flotation using Al3+ ions as an activator
Authors: Xiao Wei , Fang Chaojun , Wang Jun , Liang Qiannan , Cao Pan , Wang Xingxing , Zhang Lijuan , Qiu Guanzhou , Hu Jun
Published: January 2018

The adsorption model of Al3+ ions, EDTA and SPA on the rutile surface.
The effect of MDI on the structure and mechanical properties of poly(lactic acid) and poly(butylene adipate-co-butylene terephthalate) blends
Authors: Pan Hongwei , Li Zonglin , Yang Jia , Li Xin , Ai Xue , Hao Yanping , Zhang Huiliang , Dong Lisong
Published: January 2018

The FTIR spectrum of the PLA (a) and the PBAT (b) reacted with MDI.
Natural 6-hydroxy-chromanols and -chromenols: structural diversity, biosynthetic pathways and health implications
Authors: Birringer Marc , Siems Karsten , Maxones Alexander , Frank Jan , Lorkowski Stefan
Published: January 2018

We present the first comprehensive and systematic review on the structurally diverse toco-chromanols and -chromenols found in photosynthetic organisms, including marine organisms, and as metabolic intermediates in animals.
Novel approaches to immobilizeCandida rugosalipase on nanocomposite membranes prepared by covalent attachment of magnetic nanoparticles on poly acrylonitrile membrane
Authors: Aghababaie Marzieh , Beheshti Masoud , Bordbar Abdol-Khalegh , Razmjou Amir
Published: January 2018

Novel methods have been developed for lipase immobilization on poly acrylonitrile (PAN) membranes to increase the activity and stability of the immobilized lipase.
Chemometric modeling of larvicidal activity of plant derived compounds against zika virus vectorAedes aegypti: application of ETA indices
Authors: De Priyanka , Aher Rahul B. , Roy Kunal
Published: January 2018

Dengue, zika and chikungunya have severe public health concerns in several countries. We have developed here a QSAR model for larvicidal activity of plant derived compounds against the vectorAedes aegypti.
Development of methodologies for the regioselective synthesis of four series of regioisomer isoxazoles from β-enamino diketones
Authors: Silva Raí G. M. , da Silva Michael J. V. , Jacomini Andrey P. , Moura Sidnei , Back Davi F. , Basso Ernani A. , Rosa Fernanda A.
Published: January 2018

Efficient and regioselective synthesis of isoxazoles was demonstrated through cyclocondensation of β-enamino diketones with hydroxylamine: four of the six possible regioisomers were obtained.
Flavonoid-derived anisotropic silver nanoparticles inhibit growth and change the expression of virulence genes in Escherichia coli SM10
Authors: Osonga Francis J. , Akgul Ali , Yazgan Idris , Akgul Ayfer , Ontman Renata , Kariuki Victor M. , Eshun Gaddi B. , Sadik Omowunmi A.
Published: January 2018

We hereby present a novel greener and ecofriendly synthesis of anisotropic silver nanoparticles (AgNPs) using water soluble quercetin diphosphate (QDP). QDP was employed as a reducing, capping and stabilizing agent at room temperature without any extraneous reagents.
Acid–base sites synergistic catalysis over Mg–Zr–Al mixed metal oxide toward synthesis of diethyl carbonate
Authors: Yan Tingting , Bing Weihan , Xu Ming , Li Yinwen , Yang Yusen , Cui Guoqing , Yang Lan , Wei Min
Published: January 2018

Mg/Zr/Al mixed metal oxides were prepared via a facile phase transformation process of hydrotalcite precursors, which showed acid–base sites synergistic catalytic performance toward the synthesis of diethyl carbonate from ethanol and urea.
MXene-derived TiO2@C/g-C3N4 heterojunctions for highly efficient nitrogen photofixation
Authors: Liu Qiuxia , Ai Lunhong , Jiang Jing
Published: January 2018

MXene-derived TiO2@C/g-C3N4 heterojunctions exhibit superior performance for photocatalytic nitrogen reduction to ammonia under visible light irradiation.
Fabrication of tunable aluminum nanodisk arrays via a self-assembly nanoparticle template method and their applications for performance enhancement in organic photovoltaics
Authors: Liang Zhiqiang , Liang Wenkai , Shao Weijing , Huang Jing , Guan Tianfu , Wen Peng , Cao Guozhong , Jiang Lin
Published: January 2018

Aluminum nanodisk arrays on TiO2 thin films were fabricated via a new self-assembly nanoparticle template method, and successfully employed to enhance the photovoltaic performance of organic photovoltaics for the first time.
Nanofilms directly formed on macro-porous substrates for molecular and ionic sieving
Authors: Yang Hao-Cheng , Wu Ming-Bang , Hou Jingwei , Darling Seth B. , Xu Zhi-Kang
Published: January 2018

An interfacial strategy is developed to fabricate and composite sub-15 nm nanofilms directly on macro-porous substrates for molecular and ionic sieving.
Development of a photo-catalytic converter for potential use in the detoxification of Cr(vi) metal in water from natural resources
Authors: Kar Prasenjit , Maji Tuhin Kumar , Sarkar Probir Kumar , Lemmens Peter , Pal Samir Kumar
Published: January 2018

Copper-porphyrin sensitized nanoporous TiO2 microsphere is decorated on a stainless steel mesh for photocatalytic conversion of carcinogenic Cr6+ to non-toxic Cr3+ and physical filtration.
Electronic and transport properties of Li-doped NiO epitaxial thin films
Authors: Zhang J. Y. , Li W. W. , Hoye R. L. Z. , MacManus-Driscoll J. L. , Budde M. , Bierwagen O. , Wang L. , Du Y. , Wahila M. J. , Piper L. F. J. , Lee T.-L. , Edwards H. J. , Dhanak V. R. , Zhang K. H. L.
Published: January 2018

NiO is a p-type wide bandgap semiconductor of use in various electronic devices ranging from solar cells to transparent transistors. This work reports the controlling of conductivity and increase of work functions by Li doping.
Assessing the antiandrogenic properties of propyl paraben using the Hershberger bioassay
Authors: Özdemir Ecem , Barlas Nurhayat , Çetinkaya Mehmet Alper
Published: January 2018

Propyl paraben is a widely used preservative in pharmaceuticals, cosmetics, and foods preventing microbial and fungal contamination.
Facile one-step synthesis of highly luminescent N-doped carbon dots as an efficient fluorescent probe for chromium(vi) detection based on the inner filter effect
Authors: Wang Haitao , Liu Shan , Xie Yisha , Bi Jingran , Li Yao , Song Yukun , Cheng Shasha , Li Dongmei , Tan Mingqian
Published: January 2018

Label-free fluorescence assay system is designed for Cr(iv) detection.
A Cu(ii) mediated approach for colorimetric detection of aqueous fluoride in ppm level with a Schiff base receptor
Authors: Das Rituraj , Bharati Sudhanshu P. , Borborah Abhishek , Sarma Plaban J. , Das Bhargab , Choudhury Samarjit , Chakrabarty Gaurango , Mahanta Sanjeev P.
Published: January 2018

Inspired by the importance of fluoride detection in aqueous environment, a new methodology is demonstrated by employing the synergistic reaction of fluoride and Cu(ii) salts with a designed Schiff base receptor.
Pedestrian walking safety system based on smartphone built‐in sensors
Authors: Li Yantao , Xue Fengtao , Fan Xinqi , Qu Zehui , Zhou Gang
Published: January 2018

People watching smartphones while walking causes a significant impact to their safety. Pedestrians staring at smartphone screens while walking along the sidewalk are generally more at risk than other pedestrians not engaged in smartphone usage. In this study, the authors propose Safe Walking, an Android smartphone‐based system that detects the walking behaviour of pedestrians by leveraging the sensors and front camera on smartphones, improving the safety of pedestrians staring at smartphone screens. More specifically, Safe Walking first exploits a pedestrian speed calculation algorithm by sampling acceleration data via the accelerometer and calculating gravity components via the gravity sensor. Then, this system utilises a greyscale image detection algorithm to detect the face and eye movement modes based on OpenCV4Android to determine if pedestrians are staring at the screens. Finally, Safe Walking generates a vibration by a vibrator on smartphones to alert pedestrians to pay attention to road conditions. The authors implemented Safe Walking on an Android smartphone and evaluated pedestrian walking speed, the accuracy of eye movement, and system performance. The results show that Safe Walking can prevent the potential danger for pedestrians staring at smartphone screens with a true positive rate of .
Physical‐layer entity authentication scheme for mobile MIMO systems
Authors: Althunibat Saud , Sucasas Victor , Mantas Georgios , Rodriguez Jonathan
Published: January 2018

Exploiting physical layer in achieving different security aspects in wireless communications has been widely encouraged. In this work, the authors propose an entity authentication scheme for mobile devices with multiple antennas, which is purely based on physical layer parameters. According to the proposed scheme, in order to authenticate a device, a number of predefined authentication signals should be detected at the receive antennas on the authenticator side. The transmitted signals are designed based on the instantaneous channel responses in order to deliver the authentication signals to the receiver. The proposed scheme works efficiently even for mobile users, which is considered a significant improvement over previous related works. Mathematical analysis of the different involved factors along with sufficient simulations show the high performance of the proposed authentication scheme.