bluuebunny/crossref_metadata_2025_split huggingface dataset:
Experimental neutron scattering evidence for proton polaron in hydrated metal oxide proton conductors
Authors: Braun Artur , Chen Qianli 
Published: June 2017

AbstractHydration of oxygen-deficient metal oxides causes filling of oxygen vacancies and formation of hydroxyl groups with interstitial structural protons, rotating around the oxygen in localized motion. Thermal activation from 500 to 800 K triggers delocalization of the protons by jumping to adjacent oxygen ions, constituting proton conductivity. We report quantitative analyses of proton and lattice dynamics by neutron-scattering data, which reveal the interaction of protons with the crystal lattice and proton–phonon coupling. The motion for the proton trapped in the elastic crystal field yields Eigen frequencies and coupling constants, which satisfy Holstein’s polaron model for electrons and thus constitutes first experimental evidence for a proton polaron at high temperature. Proton jump rates follow a polaron model for cerium-oxygen and hydroxyl stretching modes, which are thus vehicles for proton conductivity. This confirms that the polaron mechanism is not restricted to electrons, but a universal charge carrier transport process.
Plasmon-induced selective carbon dioxide conversion on earth-abundant aluminum-cuprous oxide antenna-reactor nanoparticles
Authors: Robatjazi Hossein , Zhao Hangqi , Swearer Dayne F. , Hogan Nathaniel J. , Zhou Linan , Alabastri Alessandro , McClain Michael J. , Nordlander Peter , Halas Naomi J. 
Published: June 2017

AbstractThe rational combination of plasmonic nanoantennas with active transition metal-based catalysts, known as ‘antenna-reactor’ nanostructures, holds promise to expand the scope of chemical reactions possible with plasmonic photocatalysis. Here, we report earth-abundant embedded aluminum in cuprous oxide antenna-reactor heterostructures that operate more effectively and selectively for the reverse water-gas shift reaction under milder illumination than in conventional thermal conditions. Through rigorous comparison of the spatial temperature profile, optical absorption, and integrated electric field enhancement of the catalyst, we have been able to distinguish between competing photothermal and hot-carrier driven mechanistic pathways. The antenna-reactor geometry efficiently harnesses the plasmon resonance of aluminum to supply energetic hot-carriers and increases optical absorption in cuprous oxide for selective carbon dioxide conversion to carbon monoxide with visible light. The transition from noble metals to aluminum based antenna-reactor heterostructures in plasmonic photocatalysis provides a sustainable route to high-value chemicals and reaffirms the practical potential of plasmon-mediated chemical transformations.
Unexplored diversity and strain-level structure of the skin microbiome associated with psoriasis
Authors: Tett Adrian , Pasolli Edoardo , Farina Stefania , Truong Duy Tin , Asnicar Francesco , Zolfo Moreno , Beghini Francesco , Armanini Federica , Jousson Olivier , De Sanctis Veronica , Bertorelli Roberto , Girolomoni Giampiero , Cristofolini Mario , Segata Nicola 
Published: June 2017

AbstractPsoriasis is an immune-mediated inflammatory skin disease that has been associated with cutaneous microbial dysbiosis by culture-dependent investigations and rRNA community profiling. We applied, for the first time, high-resolution shotgun metagenomics to characterise the microbiome of psoriatic and unaffected skin from 28 individuals. We demonstrate psoriatic ear sites have a decreased diversity and psoriasis is associated with an increase in Staphylococcus, but overall the microbiomes of psoriatic and unaffected sites display few discriminative features at the species level. Finer strain-level analysis reveals strain heterogeneity colonisation and functional variability providing the intriguing hypothesis of psoriatic niche-specific strain adaptation or selection. Furthermore, we accessed the poorly characterised, but abundant, clades with limited sequence information in public databases, including uncharacterised Malassezia spp. These results highlight the skins hidden diversity and suggests strain-level variations could be key determinants of the psoriatic microbiome. This illustrates the need for high-resolution analyses, particularly when identifying therapeutic targets. This work provides a baseline for microbiome studies in relation to the pathogenesis of psoriasis.
Predicting the potential risk area of illegal vaccine trade in China
Authors: Liao Yilan , Lei Yanhui , Ren Zhoupeng , Chen Huiyan , Li Dongyue 
Published: June 2017

AbstractSince the disclosure of the “Illegal vaccine operation series case in Jinan, Shandong” in March, 2016, this issue has attracted a great deal of attention and has led to public concerns about the safety and efficacy of the vaccines involved in this case. The main purpose of this paper is to scientifically and scrupulously predict the possible geographic distribution of illegal vaccines in China, and provide a foundation to guide future governmental policies and actions. A species distribution model was used because of the advantages of using presence/pseudo-absence or presence-only data, and it performs well with incomplete species distribution data. A series of socioeconomic variables were used to simulate habitat suitability distribution. Maxent (Maximum Entropy Model) and GARP (Genetic Algorithm for Rule set Production) were used to predict the risks of illegal vaccines in China, and define the spatial distribution and significant factors of the area at risk from illegal vaccines. Jackknife tests were used to evaluate the relative importance of socioeconomic variables. It was found that: (1) Shandong, Hebei, Henan, Jiangsu and Anhui are the main high-risk areas impacted by the vaccines involved in Jinan case. (2) Population density and industrial structure are the main socioeconomic factors affecting areas which may be at risk from illegal vaccines.
Quantifying non-ergodicity of anomalous diffusion with higher order moments
Authors: Schwarzl Maria , Godec Aljaž , Metzler Ralf 
Published: June 2017

AbstractAnomalous diffusion is being discovered in a fast growing number of systems. The exact nature of this anomalous diffusion provides important information on the physical laws governing the studied system. One of the central properties analysed for finite particle motion time series is the intrinsic variability of the apparent diffusivity, typically quantified by the ergodicity breaking parameter EB. Here we demonstrate that frequently EB is insufficient to provide a meaningful measure for the observed variability of the data. Instead, important additional information is provided by the higher order moments entering by the skewness and kurtosis. We analyse these quantities for three popular anomalous diffusion models. In particular, we find that even for the Gaussian fractional Brownian motion a significant skewness in the results of physical measurements occurs and needs to be taken into account. Interestingly, the kurtosis and skewness may also provide sensitive estimates of the anomalous diffusion exponent underlying the data. We also derive a new result for the EB parameter of fractional Brownian motion valid for the whole range of the anomalous diffusion parameter. Our results are important for the analysis of anomalous diffusion but also provide new insights into the theory of anomalous stochastic processes.
Structural basis to stabilize the domain motion of BARD1-ARD BRCT by CstF50
Authors: Choudhary Rajan Kumar , Siddiqui Mohd Quadir , Thapa Pankaj S. , Gadewal Nikhil , Nachimuthu Senthil Kumar , Varma Ashok K. 
Published: June 2017

AbstractBRCA1 associated ring domain protein 1(BARD1) is a tumor suppressor protein having a wide role in cellular processes like cell-cycle checkpoint, DNA damage repair and maintenance of genomic integrity. Germ-line mutation Gln 564 His discovered in linker region of BARD1 leads to loss of binding to Cleavage stimulating factor (CstF50), which in turn instigates the premature mRNA transcript formation and apoptosis. We have studied the dynamics of ARD domain present in the BARD1 wild-type and mutant protein in association with CstF50 using biophysical, biochemical and molecular dynamics simulations. It has been observed that the ARD domain is relatively more flexible than the BRCT domain of BARD1. Further relative orientations of both the ARD and BRCT domains varies due to the highly flexible nature of the connecting linker region present between the domains. It has been observed that mutant ARD domain is more dynamic in nature compared to wild-type protein. Molecular docking studies between BARD1 Gln 564 His mutant and CstF50 shows the loss of interactions. Furthermore, domain motion of ARD present in BARD1 was stabilized when complexed with CstF50.
OhrR of Mycobacterium smegmatis senses and responds to intracellular organic hydroperoxide stress
Authors: Garnica Omar A. , Das Kishore , Dhandayuthapani Subramanian 
Published: June 2017

AbstractOrganic hydroperoxide reductase regulator (OhrR) in bacteria is a sensor for organic hydroperoxide stress and a transcriptional regulator for the enzyme organic hydroperoxide reductase (Ohr). In this study we investigated, using a GFP reporter system, whether Mycobacterium smegmatis OhrR has the ability to sense and respond to intracellular organic hydroperoxide stress. It was observed that M. smegmatis strains bearing the pohr-gfpuv fusion construct were able to express GFP only in the absence of an intact ohrR gene, but not in its presence. However, GFP expression in the strain bearing pohr-gfpuv with an intact ohrR gene could be induced by organic hydroperoxides in vitro and in the intracellular environment upon ingestion of the bacteria by macrophages; indicating that OhrR responds not only to in vitro but also to intracellular organic hydroperoxide stress. Further, the intracellular expression of pohr driven GFP in this strain could be abolished by replacing the intact ohrR gene with a mutant ohrR gene modified for N-terminal Cysteine (Cys) residue, suggesting that OhrR senses intracellular organic hydroperoxides through Cys residue. This is the first report demonstrating the ability of OhrR to sense intracellular organic hydroperoxides.
Multiple magnetoelectric coupling effect in BaTiO3/Sr2CoMoO6 heterostructures
Authors: Liu Chang , Wan Wenhui , Gong Sai , Zhang Hongbin , Guo Wei 
Published: June 2017

AbstractDue to the demand of controlling magnetism by electric fields for future storage devices, materials with magnetoelectric coupling are of great interests. Based on first-principles calculations, we study the electronic and magnetic properties of a double perovskite Sr2CoMoO6 (SCMO) in a hybrid heterostructure combined with BaTiO3 (BTO) in different polarization states. The calculations show that by introducing ferroelectric state in BTO, SCMO transforms from an antiferromagnetic semiconductor to a half-metal. Specially, altering the polarization direction not only controls the interfacial magnetic moment, but also changes the orbital occupancy of the Co-3d state. This novel multiple magnetoelectric coupling opens possibilities for designing new type of spintronic and microelectronic devices with controllable degree of freedom of interfacial electrons in the heterostructures.
Long days enhance recognition memory and increase insulin-like growth factor 2 in the hippocampus
Authors: Dellapolla Adriano , Kloehn Ian , Pancholi Harshida , Callif Ben , Wertz David , Rohr Kayla E. , Hurley Matthew M. , Baker Kimberly M. , Hattar Samer , Gilmartin Marieke R. , Evans Jennifer A. 
Published: June 2017

AbstractLight improves cognitive function in humans; however, the neurobiological mechanisms underlying positive effects of light remain unclear. One obstacle is that most rodent models have employed lighting conditions that cause cognitive deficits rather than improvements. Here we have developed a mouse model where light improves cognitive function, which provides insight into mechanisms underlying positive effects of light. To increase light exposure without eliminating daily rhythms, we exposed mice to either a standard photoperiod or a long day photoperiod. Long days enhanced long-term recognition memory, and this effect was abolished by loss of the photopigment melanopsin. Further, long days markedly altered hippocampal clock function and elevated transcription of Insulin-like Growth Factor2 (Igf2). Up-regulation ofIgf2occurred in tandem with suppression of its transcriptional repressor Wilm’s tumor1. Consistent with molecular de-repression ofIgf2, IGF2 expression was increased in the hippocampus before and after memory training. Lastly, long days occluded IGF2-induced improvements in recognition memory. Collectively, these results suggest that light changes hippocampal clock function to alter memory, highlighting novel mechanisms that may contribute to the positive effects of light. Furthermore, this study provides insight into how the circadian clock can regulate hippocampus-dependent learning by controlling molecular processes required for memory consolidation.
In Utero and Lactational Exposure Study in Rats to Identify Replacements for Di(2-ethylhexyl) Phthalate
Authors: Nardelli Thomas C. , Albert Océane , Lalancette Claudia , Culty Martine , Hales Barbara F. , Robaire Bernard 
Published: June 2017

AbstractDi(2-ethylhexyl) phthalate (DEHP) and other phthalates are ubiquitous environmental contaminants with endocrine disrupting properties. Two novel plasticizers, 1,4 butanediol dibenzoate (BDB) and dioctyl succinate (DOS), have been proposed as potential replacements. Both have desirable properties as plasticizers and minimalin vitrobiological effects. Herein, we present anin uteroand lactational exposure study comparing DEHP with BDB, DOS, and 1,2-cyclohexane dicarboxylic acid diisononyl ester (DINCH), a commercial alternative. Timed-pregnant Sprague-Dawley rats were gavaged with vehicle or one of these chemicals at 30 or 300 mg/kg/day from gestational day 8 until postnatal day (PND) 21. The offspring were examined for effects on developmental and endocrine markers until PND 46. DEHP treatment (300 mg/kg) decreased heart weights in dams and induced a significant decrease in anogenital index and an increase in hemorrhagic testes and multinucleated gonocytes in PND 3 male pups. An increase in the incidence of hemorrhagic testes was also observed on PND 8 after exposure to DINCH (30 and 300 mg/kg). The only other effects observed were decreases in serum alanine transaminase and magnesium in BDB 30 exposed dams. These data suggest that both BDB and DOS are viable alternative plasticizers.
A central mechanism enhances pain perception of noxious thermal stimulus changes
Authors: Petre B. , Tetreault P. , Mathur V. A. , Schurgin M. W. , Chiao J. Y. , Huang L. , Apkarian A. V. 
Published: June 2017

AbstractPain perception temporarily exaggerates abrupt thermal stimulus changes revealing a mechanism for nociceptive temporal contrast enhancement (TCE). Although the mechanism is unknown, a non-linear model with perceptual feedback accurately simulates the phenomenon. Here we test if a mechanism in the central nervous system underlies thermal TCE. Our model successfully predicted an optimal stimulus, incorporating a transient temperature offset (step-up/step-down), with maximal TCE, resulting in psychophysically verified large decrements in pain response (“offset-analgesia”; mean analgesia: 85%, n = 20 subjects). Next, this stimulus was delivered using two thermodes, one delivering the longer duration baseline temperature pulse and the other superimposing a short higher temperature pulse. The two stimuli were applied simultaneously either near or far on the same arm, or on opposite arms. Spatial separation across multiple peripheral receptive fields ensures the composite stimulus timecourse is first reconstituted in the central nervous system. Following ipsilateral stimulus cessation on the high temperature thermode, but before cessation of the low temperature stimulus properties of TCE were observed both for individual subjects and in group-mean responses. This demonstrates a central integration mechanism is sufficient to evoke painful thermal TCE, an essential step in transforming transient afferent nociceptive signals into a stable pain perception.
The roles of Toll-like receptor 4 in the pathogenesis of pathogen-associated biliary fibrosis caused by Clonorchis sinensis
Authors: Yan Chao , Li Bo , Fan Fang , Du Ying , Ma Rui , Cheng Xiao-Dan , Li Xiang-Yang , Zhang Bo , Yu Qian , Wang Yu-Gang , Tang Ren-Xian , Zheng Kui-Yang 
Published: June 2017

AbstractPathogen-associated biliary fibrosis (PABF) is a type of liver fibrosis characterized by injuries of cholangiocytes and extra cellular matrix (ECM) deposition around bile ducts caused by various bacteria, fungi, virus and parasites. Recent studies show that TLR4 plays an important role in several other types of liver fibrosis, but the mechanism of TLR4 in PABF is yet really unclear. In the present study, a PABF mouse model was established by a trematode infection-Clonorchis sinensis which dwells in the bile ducts and causes severe biliary fibrosis of mice. The results showed that the levels of collagen depositions, α-SMA and hydroxyproline (Hyp) contents in TLR4
mut
mice infected by C. sinensis were significantly lower than in those of TLR4
wild
ones. Furthermore, we found that the activation of TGF-β signaling was impaired in the TLR4
mut
mice, compared with wild mice when they were challenged to the same dose of C. sinensis metacercariae. Moreover, the mice with TLR4 mutation showed a decreased activation of hepatic stellate cells indicated by the expression of α-SMA, when compared with TLR4
wild
mice. These data demonstrate that TLR4 contributes to PABF caused by C. sinensis and TLR4 signaling may be a potential medical target for treatment of PABF.
Shedding new light on an old molecule: quinophthalone displays uncommon N-to-O excited state intramolecular proton transfer (ESIPT) between photobases
Authors: Han Gi Rim , Hwang Doyk , Lee Seunghoon , Lee Jong Woo , Lim Eunhak , Heo Jiyoung , Kim Seong Keun 
Published: June 2017

AbstractExcited state dynamics of common yellow dye quinophthalone (QPH) was probed by femtosecond transient absorption spectroscopy. Multi-exponential decay of the excited state and significant change of rate constants upon deuterium substitution indicate that uncommon nitrogen-to-oxygen excited state intramolecular proton transfer (ESIPT) occurs. By performing density functional theory (DFT) and time-dependent density functional theory (TDDFT) calculations, we found that adiabatic surface crossing between the S1 and S2 states takes place in the photoreaction. Unlike most cases of ESIPT, QPH does not exhibit tautomer emission, possibly due to internal conversion or back-proton transfer. The ESIPT of QPH presents a highly interesting case also because the moieties participating in ESIPT, quinoline and aromatic carbonyl, are both traditionally considered as photobases.
Ficolins do not alter host immune responses to lipopolysaccharide-induced inflammation in vivo
Authors: Genster Ninette , Østrup Olga , Schjalm Camilla , Eirik Mollnes Tom , Cowland Jack B. , Garred Peter 
Published: June 2017

AbstractFicolins are a family of pattern recognition molecules that are capable of activating the lectin pathway of complement. A limited number of reports have demonstrated a protective role of ficolins in animal models of infection. In addition, an immune modulatory role of ficolins has been suggested. Yet, the contribution of ficolins to inflammatory disease processes remains elusive. To address this, we investigated ficolin deficient mice during a lipopolysaccharide (LPS)-induced model of systemic inflammation. Although murine serum ficolin was shown to bind LPS in vitro, there was no difference between wildtype and ficolin deficient mice in morbidity and mortality by LPS-induced inflammation. Moreover, there was no difference between wildtype and ficolin deficient mice in the inflammatory cytokine profiles after LPS challenge. These findings were substantiated by microarray analysis revealing an unaltered spleen transcriptome profile in ficolin deficient mice compared to wildtype mice. Collectively, results from this study demonstrate that ficolins are not involved in host response to LPS-induced systemic inflammation.
Sea-level projections representing the deeply uncertain contribution of the West Antarctic ice sheet
Authors: Bakker Alexander M. R. , Wong Tony E. , Ruckert Kelsey L. , Keller Klaus 
Published: June 2017

AbstractThere is a growing awareness that uncertainties surrounding future sea-level projections may be much larger than typically perceived. Recently published projections appear widely divergent and highly sensitive to non-trivial model choices. Moreover, the West Antarctic ice sheet (WAIS) may be much less stable than previous believed, enabling a rapid disintegration. Here, we present a set of probabilistic sea-level projections that approximates the deeply uncertain WAIS contributions. The projections aim to inform robust decisions by clarifying the sensitivity to non-trivial or controversial assumptions. We show that the deeply uncertain WAIS contribution can dominate other uncertainties within decades. These deep uncertainties call for the development of robust adaptive strategies. These decision-making needs, in turn, require mission-oriented basic science, for example about potential signposts and the maximum rate of WAIS-induced sea-level changes.
Seven-Membered Lactam Derivatives of Podophyllotoxins as New Pesticidal Agents
Authors: Zhi Xiaoyan , Zhang Yuanyuan , Huang Jiulin , Xu Hui 
Published: June 2017

AbstractAs a continuation of our efforts to discover and develop natural-product-based insecticidal agents, three novel and unusual 7-membered lactam derivatives of podophyllotoxin were prepared by thionyl chloride-mediated ring-expanded Beckmann rearrangement. The steric configurations of 3a–c were unambiguously identified by X-ray crystallography. It demonstrated that the configuration of the picropodophyllotoxin C4-oximes could also be confirmed by the corresponding C-ring expansion products via Beckmann rearrangement. Moreover, it was obviously further testified that when picropodophyllones reacted with hydroxylamine hydrochloride, only E configuration of picropodophyllotoxin C4-oximes was selectively produced. Compounds 3b and 3c showed more potent pesticidal activity than toosendanin against oriental armyworm, Mythimna separata (Walker).
Compact acceleration of energetic neutral atoms using high intensity laser-solid interaction
Authors: Dalui Malay , Trivikram T. Madhu , Colgan James , Pasley John , Krishnamurthy M. 
Published: June 2017

AbstractRecent advances in high-intensity laser-produced plasmas have demonstrated their potential as compact charge particle accelerators. Unlike conventional accelerators, transient quasi-static charge separation acceleration fields in laser produced plasmas are highly localized and orders of magnitude larger. Manipulating these ion accelerators, to convert the fast ions to neutral atoms with little change in momentum, transform these to a bright source of MeV atoms. The emittance of the neutral atom beam would be similar to that expected for an ion beam. Since intense laser-produced plasmas have been demonstrated to produce high-brightness-low-emittance beams, it is possible to envisage generation of high-flux, low-emittance, high energy neutral atom beams in length scales of less than a millimeter. Here, we show a scheme where more than 80% of the fast ions are reduced to energetic neutral atoms and demonstrate the feasibility of a high energy neutral atom accelerator that could significantly impact applications in neutral atom lithography and diagnostics.