bluuebunny/crossref_metadata_2025_split huggingface dataset:
Different associations of sufficient and vigorous physical activity with BMI in Northwest China
Authors: Liu Feng , Wang Weihua , Ma Jingang , Sa Rina , Zhuang Guihua 
Published: August 2018

AbstractPhysical activity (PA) plays an important role in maintaining a healthy weight. To develop targeted strategies that encourage physical activity, knowledge of associations between intensity of physical activity (PA) levels and body mass index (BMI) is essential. We aimed to examine the relationship between sufficient and vigorous PA and BMI distribution among adults in northwest China using quantile regression. We conducted a cross-sectional study in Shaanxi Province in 2013, using proportional probability sampling. BMI was calculated using measured height and weight. The Global Physical Activity Questionnaire was used to define and measure sufficient and vigorous PA. Associations of sufficient/vigorous PA and BMI were modelled using quantile regression. Mean BMI was 24.18 ± 3.51 and BMI distribution with age showed an inverse U shape. A total 9045 (88.97%) participants demonstrated sufficient PA and 3119 (30.68%) reported vigorous PA. After adjusting for relevant sociodemographic, dietary, and lifestyle parameters in quantile regression modelling, sufficient PA was positively associated with BMI score distribution from the 1st to 30th quantile, with β from 0.32 (95% confidence interval (CI): 0.07 to 0.63) to 0.85 (95% CI: 0.40 to 1.19). Vigorous PA was negatively associated with BMI score distribution from the 30th to 93th quantiles, with β from −0.18 (95% CI: −0.31 to −0.02) to −0.81 (95% CI: −1.10 to −0.45). Sufficient PA was positively associated with underweight and normal weight whereas vigorous PA was negatively associated with overweight and obesity.
YesU from Bacillus subtilis preferentially binds fucosylated glycans
Authors: Tiralongo Joe , Cooper Oren , Litfin Tom , Yang Yuedong , King Rebecca , Zhan Jian , Zhao Huiying , Bovin Nicolai , Day Christopher J. , Zhou Yaoqi 
Published: August 2018

AbstractThe interaction of carbohydrate-binding proteins (CBPs) with their corresponding glycan ligands is challenging to study both experimentally and computationally. This is in part due to their low binding affinity, high flexibility, and the lack of a linear sequence in carbohydrates, as exists in nucleic acids and proteins. We recently described a function-prediction technique called SPOT-Struc that identifies CBPs by global structural alignment and binding-affinity prediction. Here we experimentally determined the carbohydrate specificity and binding affinity of YesU (RCSB PDB ID: 1oq1), an uncharacterized protein from Bacillus subtilis that SPOT-Struc predicted would bind high mannose-type glycans. Glycan array analyses however revealed glycan binding patterns similar to those exhibited by fucose (Fuc)-binding lectins, with SPR analysis revealing high affinity binding to Lewisx and lacto-N-fucopentaose III. Structure based alignment of YesU revealed high similarity to the legume lectins UEA-I and GS-IV, and docking of Lewisx into YesU revealed a complex structure model with predicted binding affinity of −4.3 kcal/mol. Moreover the adherence of B. subtilis to intestinal cells was significantly inhibited by Lex and Ley but by not non-fucosylated glycans, suggesting the interaction of YesU to fucosylated glycans may be involved in the adhesion of B. subtilis to the gastrointestinal tract of mammals.
Lysozyme and DNase I loaded poly (D, L lactide-co-caprolactone) nanocapsules as an oral delivery system
Authors: Abu Abed Omar S. , Chaw Cheng , Williams Lee , Elkordy Amal A. 
Published: August 2018

AbstractClinical applications of oral protein therapy for the treatment of various chronic diseases are limited due to the harsh conditions encounter the proteins during their journey in the Gastrointestinal Tract. Although nanotechnology forms a platform for the development of oral protein formulations, obtaining physiochemically stable formulations able to deliver active proteins is still challenging because of harsh preparation conditions. This study proposes the use of poly (D, L-lactic-co-caprolactone)-based polymeric nanocapsules at different monomers’ ratios for protein loading and oral delivery. All formulations had a spherical shape and nano-scale size, and lysozyme encapsulation efficiency reached 80% and significantly affected by monomers’ ratio. Trehalose and physical state of lysozyme had a significant effect on its biological activity (P < 0.05). Less than 10% of the protein was released in simulated gastric fluid, and 73% was the highest recorded accumulative release percentage in simulated intestinal fluid (SIF) over 24 h. The higher caprolactone content, the higher encapsulation efficiency (EE) and the lower SIF release recorded. Therefore, the formulation factors were optimised and the obtained system was PEGylated wisely to attain EE 80%, 81% SIF release within 24 h, and 98% lysozyme biological activity. The optimum formulation was prepared to deliver DNase, and similar attributes were obtained.
The polymerization of nitrogen in Li2N2 at high pressures
Authors: Zhang Jie , Wang Xianlong , Yang Kaishuai , Cheng Ya , Zeng Zhi 
Published: August 2018

AbstractThe polymerization of nitrogen can be used as high energy density materials. The crystal structures of Li2N2 at high pressures are explored by using the first-principles method combined with evolutionary algorithm. The phase transitions Pmmm → Immm → Pnma → Cmcm-1 → I41/acd are predicted in the pressure range of 0–300 GPa. Enthalpy calculations reveal that the tetragonal phase I41/acd containing the spiral nitrogen chains is stable above 242 GPa, indicating that the polymerization of nitrogen is realized in Li2N2 under pressure.
Sorptive process and breakthrough behavior of odorous volatile compounds on inert surfaces
Authors: Ahmed Ezaz , Szulejko Jan E. , Adelodun Adedeji A. , Bhattacharya Satya Sundar , Jeon Byong Hun , Kumar Sandeep , Kim Ki-Hyun 
Published: August 2018

AbstractThe use of glass impinger is an important device for sampling and handling when measuring volatile organic compounds (SVOCs). Thus, it is important to check for possible analyte losses to the inner glass surface when carrying out sample analysis with the aid of impinger system. In this research, we evaluated the sorptive loss patterns of vapor-phase semi-volatile organic compounds [SVOCs (n = 10): acetic acid (ACA), propionic acid (PPA), i-butyric acid (IBA), n-butyric acid (BTA), i-valeric acid (IVA), n-valeric acid (VLA), phenol (PhAl), p-cresol (p-C), indole (ID), and skatole (SK)] on inert surfaces of an impinger in reference to sampling bags. The gaseous standard of these SVOCs (48–406 ppb) in polyester aluminum (PEA) bags was passed through an empty impinger in 1 L steps. The exiting SVOCs were collected on three-bed sorbent tubes for subsequent analysis by thermal desorption-gas chromatography-mass spectroscopy (TD-GC-MS). Impinger wall sorption capacities ranged from 2.0 to 21.0 ng cm−2. The 10% breakthrough adsorption capacities on the impinger wall for acids, phenols, and indoles ranged from 1.21 ± 0.15 to 5.39 ± 0.79, 0.92 ± 0.12 to 13.4 ± 2.25, and 4.47 ± 0.42 to 5.23 ± 0.35 ng cm−2, respectively. The observed sorptive patterns suggest that the sorptive losses of the volatile fatty acids, phenols, and indoles can occur very effectively at low ppb levels onto a glass surface.
Minimizing Structural Bias in Single-Molecule Super-Resolution Microscopy
Authors: Mazidi Hesam , Lu Jin , Nehorai Arye , Lew Matthew D. 
Published: August 2018

AbstractSingle-molecule localization microscopy (SMLM) depends on sequential detection and localization of individual molecular blinking events. Due to the stochasticity of single-molecule blinking and the desire to improve SMLM’s temporal resolution, algorithms capable of analyzing frames with a high density (HD) of active molecules, or molecules whose images overlap, are a prerequisite for accurate location measurements. Thus far, HD algorithms are evaluated using scalar metrics, such as root-mean-square error, that fail to quantify the structure of errors caused by the structure of the sample. Here, we show that the spatial distribution of localization errors within super-resolved images of biological structures are vectorial in nature, leading to systematic structural biases that severely degrade image resolution. We further demonstrate that the shape of the microscope’s point-spread function (PSF) fundamentally affects the characteristics of imaging artifacts. We built a Robust Statistical Estimation algorithm (RoSE) to minimize these biases for arbitrary structures and PSFs. RoSE accomplishes this minimization by estimating the likelihood of blinking events to localize molecules more accurately and eliminate false localizations. Using RoSE, we measure the distance between crossing microtubules, quantify the morphology of and separation between vesicles, and obtain robust recovery using diverse 3D PSFs with unmatched accuracy compared to state-of-the-art algorithms.
X-ray structure analysis of bacteriorhodopsin at 1.3 Å resolution
Authors: Hasegawa Nagayuki , Jonotsuka Hideyuki , Miki Kunio , Takeda Kazuki 
Published: August 2018

AbstractBacteriorhodopsin (bR) of Halobacterium salinarum is a membrane protein that acts as a light-driven proton pump. bR and its homologues have recently been utilized in optogenetics and other applications. Although the structures of those have been reported so far, the resolutions are not sufficient for elucidation of the intrinsic structural features critical to the color tuning and ion pumping properties. Here we report the accurate crystallographic analysis of bR in the ground state. The influence of X-rays was suppressed by collecting the data under a low irradiation dose at 15 K. Consequently, individual atoms could be separately observed in the electron density map at better than 1.3 Å resolution. Residues from Thr5 to Ala233 were continuously constructed in the model. The twist of the retinal polyene was determined to be different from those in the previous models. Two conformations were observed for the proton release region. We discuss the meaning of these fine structural features.
Genome-wide analysis of the FleQ direct regulon in Pseudomonas fluorescens F113 and Pseudomonas putida KT2440
Authors: Blanco-Romero Esther , Redondo-Nieto Miguel , Martínez-Granero Francisco , Garrido-Sanz Daniel , Ramos-González Maria Isabel , Martín Marta , Rivilla Rafael 
Published: August 2018

AbstractBacterial motility plays a crucial role in competitiveness and colonization in the rhizosphere. In this work, Chromatin ImmunoPrecipitation Sequencing (ChIP-seq) analysis has been used to identify genes putatively regulated by the transcriptional regulatory protein FleQ in Pseudomonas fluorescens F113 and Pseudomonas putida KT2440. This protein was previously identified as a master regulator of flagella and biofilm formation in both strains. This work has demonstrated that FleQ from both bacteria are conserved and functionally equivalent for motility regulation. Furthermore, the ChIP-seq analysis has shown that FleQ is a global regulator with the identification of 121 and 103 FleQ putative binding sites in P. fluorescens F113 and P. putida KT2440 respectively. Putative genes regulated by FleQ included, as expected, flagellar and motility-related genes and others involved in adhesion and exopolysaccharide production. Surprisingly, the ChIP-seq analysis also identified iron homeostasis-related genes for which positive regulation was shown by RT-qPCR. The results also showed that FleQ from P. fluorescens F113 shares an important part of its direct regulon with AmrZ, a global regulator also implicated in environmental adaption. Although AmrZ also regulates motility and iron uptake, the overlap occurred mostly with the iron-related genes, since both regulators control a different set of motility-related genes.
Electrochemical synthesis of AuPt nanoflowers in deep eutectic solvent at low temperature and their application in organic electro-oxidation
Authors: Li Aoqi , Duan Wanyi , Liu Jianming , Zhuo Kelei , Chen Yujuan , Wang Jianji 
Published: August 2018

AbstractDeep eutectic solvents (DESs), called a new generation of green solvents, have broad applied in synthesis of nanomaterials due to their remarkable physicochemical properties. In this work, we used a unique strategy (adding moderate water (10%) to DES) to effectively prepare nanomaterials. Flower-like AuPt alloy nanoparticles were successfully synthesized using one-step electrochemical reduction method at a low potential of −0.30 V (vs. Pt) and a low temperature of 30 °C. In this process, the DES acted as solvent and shape-directing agent. More importantly, we used the electrode modified with the as-prepared nanomaterials as the anode to the electrochemical oxidation synthesis. The glassy carbon electrode modified with the AuPt nanoflowers was directly employed to the electro-oxidation of xanthene (XT) to xanthone (XO) under a constant low potential of 0.80 V (vs. Ag/AgCl) and room temperature, with a high yield of XO. Moreover, the synthesis process was milder and more environment-friendly than conventional organic syntheses. This new strategy would have a promising application in electroorganic synthesis fields.
Resting Frontal Asymmetry and Reward Sensitivity Theory Motivational Traits
Authors: De Pascalis Vilfredo , Sommer Kathrin , Scacchia Paolo 
Published: August 2018

AbstractThe revised reinforcement sensitivity theory (rRST) of personality has conceptualized three main systems: the behavioural approach system (BAS), behavioural inhibition system (BIS), and fight-flight-freeze system (FFFS). Research links greater relative left-frontal activity with BAS-related tendencies and impulsivity and greater relative right-frontal activity with “withdrawal” motivation that included both BIS and FFFS. Although rRST has addressed the separation of FFFS and BIS, much of personality neuroscience research does not indicate which system is related to right frontal activity. We administered the Reinforcement Sensitivity Theory of Personality Questionnaire (RST-PQ) to measure the BAS and its facets (goal-drive persistence, reward interest, reward reactivity, and impulsivity), BIS, and the withdrawal FFFS. We examined the association of RST-PQ traits with resting electroencephalogram (EEG) alpha-asymmetry in female participants (N = 162) by considering the influence of experimenter’s gender. In the total group, that included two subgroups with experimenters of different gender, BAS-impulsivity was related to greater left- than right-frontal activity, and FFFS, but not BIS, was related to greater relative right-frontocentral activity. These associations remained significant for the subgroup with a young same-sex experimenter, but not with opposite-sex experimenter.
Ultrahigh-speed violet laser diode based free-space optical communication beyond 25 Gbit/s
Authors: Wang Wei-Chun , Wang Huai-Yung , Lin Gong-Ru 
Published: August 2018

AbstractViolet laser diode (VLD) based ultrahigh-speed free-space optical (FSO) system is demonstrated for point-to-point data transmission. By directly encoding the VLD with 64-quadrature amplitude modulation discrete multi-tone (64-QAM DMT) data stream for optical wireless communication through 0.5–10 m in free space, the point-to-point VLD-based FSO link allows delivering the 64-QAM DMT data at an ultrahigh bit rate of up to 26.4 Gbps. After receiving with a high-speed p-i-n photodiode, such a VLD-FSO link can provide clear constellation plot with error vector magnitude (EVM) of 8.57%, signal-to-noise ratio (SNR) of 21.34 dB and bit error ratio (BER) of 3.17 × 10−3 under forward-error-correction criterion. The EVM increases from 8.8% to 9.4% and the SNR decreases from 21.1 to 20.6 dB to slightly degrade the reachable data rate from 25.8 to 24 Gbit/s with transmission distance lengthening from 3 to 10 m.
Rationally-engineered reproductive barriers using CRISPR & CRISPRa: an evaluation of the synthetic species concept in Drosophila melanogaster
Authors: Waters Andrew J. , Capriotti Paolo , Gaboriau David C. A. , Papathanos Philippos Aris , Windbichler Nikolai 
Published: August 2018

AbstractThe ability to erect rationally-engineered reproductive barriers in animal or plant species promises to enable a number of biotechnological applications such as the creation of genetic firewalls, the containment of gene drives or novel population replacement and suppression strategies for genetic control. However, to date no experimental data exist that explores this concept in a multicellular organism. Here we examine the requirements for building artificial reproductive barriers in the metazoan model Drosophila melanogaster by combining CRISPR-based genome editing and transcriptional transactivation (CRISPRa) of the same loci. We directed 13 single guide RNAs (sgRNAs) to the promoters of 7 evolutionary conserved genes and used 11 drivers to conduct a misactivation screen. We identify dominant-lethal activators of the eve locus and find that they disrupt development by strongly activating eve outside its native spatio-temporal context. We employ the same set of sgRNAs to isolate, by genome editing, protective INDELs that render these loci resistant to transactivation without interfering with target gene function. When these sets of genetic components are combined we find that complete synthetic lethality, a prerequisite for most applications, is achievable using this approach. However, our results suggest a steep trade-off between the level and scope of dCas9 expression, the degree of genetic isolation achievable and the resulting impact on fly fitness. The genetic engineering strategy we present here allows the creation of single or multiple reproductive barriers and could be applied to other multicellular organisms such as disease vectors or transgenic organisms of economic importance.
Plasma gelsolin promotes re-epithelialization
Authors: Wittmann J. , Dieckow J. , Schröder H. , Hampel U. , Garreis F. , Jacobi C. , Milczarek A. , Hsieh K. L. , Pulli B. , Chen J. W. , Hoogeboom S. , Bräuer L. , Paulsen F. P. , Schob S. , Schicht M. 
Published: August 2018

AbstractWoundhealing disorders characterized by impaired or delayed re-epithelialization are a serious medical problem that is painful and difficult to treat. Gelsolin (GSN), a known actin modulator, supports epithelial cell regeneration and apoptosis. The aim of this study was to estimate the potential of recombinant gelsolin (rhu-pGSN) for ocular surface regeneration to establish a novel therapy for delayed or complicated wound healing. We analyzed the influence of gelsolin on cell proliferation and wound healing in vitro, in vivo/ex vivo and by gene knockdown. Gelsolin is expressed in all tested tissues of the ocular system as shown by molecular analysis. The concentration of GSN is significantly increased in tear fluid samples of patients with dry eye disease. rhu-pGSN induces cell proliferation and faster wound healing in vitro as well as in vivo/ex vivo. TGF-β dependent transcription of SMA is significantly decreased after GSN gene knockdown. Gelsolin is an inherent protein of the ocular system and is secreted into the tear fluid. Our results show a positive effect on corneal cell proliferation and wound healing. Furthermore, GSN regulates the synthesis of SMA in myofibroblasts, which establishes GSN as a key protein of TGF-β dependent cell differentiation.
The crucial role of density functional nonlocality and on-axis CH3NH3 rotation induced I2 formation in hybrid organic-inorganic CH3NH3PbI3 cubic perovskite
Authors: Klinkla Rakchat , Sakulsupich Vichawan , Pakornchote Teerachote , Pinsook Udomsilp , Bovornratanaraks Thiti 
Published: August 2018

AbstractEffects of electronic nonlocality in density functional theory study of structural and energetic properties of a pseudocubic CH3NH3PbI3 are investigated by considering coherent rotation around C–N axis of a CH3NH3 cation. A number of truly non-local and semi-local exchange correlation density functionals are examined by comparing calculated structural parameters with experimental results. The vdW-DF-cx which takes into account the non-local van der Waals correlation and consistent exchange shows the best overall performance for density functional theory study of this system. Remarkable distinctions between results from vdW-DF-cx and those from PBEsol exchange correlation functionals are observed and indicate the need of including the non-local interaction in the study of this system, especially its dynamical properties. The obtained rotational barriers are 18.56 meV/formula and 27.71 meV/formula which correspond to rotational frequencies of 3.71 THz and 2.60 THz for vdW-DF-cx and PBEsol calculations, respectively. Interestingly, the maximally localised Wannier function analysis shows the hydrogen bonding assisted covalent character of two iodide anions at a moderate rotational angle which can lead to I2 formation and then material degradation.
High-resolution observations on enrichment processes in the sea-surface microlayer
Authors: Mustaffa Nur Ili Hamizah , Badewien Thomas H. , Ribas-Ribas Mariana , Wurl Oliver 
Published: August 2018

AbstractFor decades, researchers assumed that enrichment of dissolved organic matter (DOM) in the sea surface microlayer (SML) is solely controlled by changes in the DOM concentration at this uppermost thin boundary layer between the ocean and the atmosphere. We conducted high-resolution observations of fluorescent-DOM (FDOM) at 13 stations in the coastal and open Atlantic Ocean to understand the enrichment processes. Results show that FDOM enrichment in the SML varied between 0.8 and 2.0 (in comparison to the concentrations in the underlying water; ULW), and FDOM enrichment is a common feature of the SML despite the varied distances to the terrestrial sources. At six stations, the FDOM concentration in the SML was less variable over the sampling period (>5 h) compared to FDOM concentrations in the ULW characterized with sudden changes. Even so we observed slightly lower enrichments with increasing wind speeds and solar radiation, changes in ULW concentrations forced the enrichment to change. In addition, we found evidences for the occurrence of photochemical degradation of FDOM in near-shore SML with implications on coastal carbon cycling. Overall, the results show that the processes leading to the enrichment of DOM in the SML are more complex than previously assumed. Given the importance of the organic-rich SML as a diffusion layer in the air–sea exchange of climate-relevant gases and heat, understanding the layer’s enrichment processes is crucial.