bluuebunny/crossref_metadata_2025_split huggingface dataset:
Serious Infections in Rheumatoid Arthritis Offspring Exposed to Tumor Necrosis Factor Inhibitors
Authors: Vinet Évelyne , De Moura Cristiano , Pineau Christian A. , Abrahamowicz Michal , Curtis Jeffrey R. , Bernatsky Sasha 
Published: May 2018

ObjectiveTo evaluate the risk of serious infections in rheumatoid arthritis (RA) offspring exposed to tumor necrosis factor inhibitors (TNFi) in the gestational period compared to unexposed RA offspring, as well as to children from the general population.MethodsWe used US claim data (2011–2015) to identify 2,989 offspring born to women who have RA and a randomly selected group of 14,596 control children, matched ≥4:1 for maternal age, year of delivery, and state of residence. We defined TNFi exposure based on ≥1 filled prescription during pregnancy. We ascertained serious infections based on ≥1 hospitalization, with infection as a primary diagnosis, at ≤12 months of life. We performed multivariable analyses, adjusting for maternal demographics, comorbidities, pregnancy complications, and drugs.ResultsAmong RA offspring, 380 (12.7%) were exposed to TNFi during pregnancy. The percentage of serious infections in RA offspring with no TNFi exposure (2.0%; 95% confidence interval [95% CI] 1.5, 2.6) was similar to that in non‐RA offspring (1.9%; 95% CI 1.9, 2.2), while the percentage of serious infections in RA offspring with TNFi exposure was 3.2% (95% CI 1.5, 5.6). In multivariable analyses, we were unable to establish an increased risk of serious infections in RA offspring exposed to TNFi versus both non‐RA offspring (odds ratio [OR] 1.7, 95% CI 0.8, 3.7) and RA offspring unexposed to TNFi (OR 1.4, 95% CI 0.7, 2.8).ConclusionWe did not demonstrate a marked excess risk for serious infections in RA offspring exposed to TNFi during pregnancy versus unexposed RA offspring or general population controls.
Synthesis and Characterization of Stable Phosphorus Carbabetaines
Authors: Yanai Hikaru , Almendros Pedro , Takahashi Saori , Lázaro‐Milla Carlos , Alcaide Benito , Matsumoto Takashi 
Published: May 2018

AbstractPhosphorus 1,3‐ and 1,4‐carbabetaines with ′P(+)−C−C(−)′ and ′P(+)−C−C−C(−)′ structures, respectively, in which the carbanion moiety was significantly stabilized by two trifluoromethylsulfonyl groups, have been synthesized and characterized. Analysis of their X‐ray crystal structures revealed that any attractive interactions between the anionic and cationic moieties were negligibly weak. This result was corroborated by using natural bond orbital (NBO) and Bader′s quantum theory of atoms in molecules (QTAIM) models. In contrast, performing the same analysis of a known 1,3‐carbabetaine equivalent, which can be drawn as a ′P(+)−C−C=C−O(−)′ resonance structure, revealed pronounced charge‐transfer interactions between the anionic and cationic moieties.
Consumer motivations for sustainable consumption: The interaction of gain, normative and hedonic motivations on electric vehicle adoption
Authors: Rezvani Zeinab , Jansson Johan , Bengtsson Maria 
Published: May 2018

AbstractRecent conceptual studies identify gain, normative and hedonic factors as three categories of motivations of consumer proenvironmental behavior. However, empirical understanding of how these motivations interact and affect proenvironmental behavior is limited. This study is based on a survey of car owners in Sweden (N = 573) and uses structural equation modeling to analyze the data. The empirical findings point to the importance of all three motivations (gain, normative and hedonic) in consumer electric vehicle adoption intentions. Furthermore, for consumers who perceive high social norms regarding sustainable consumption, the direct effect of hedonic motivations on behavioral intention is stronger, and the direct effect of gain motivations is insignificant. The business strategy implications indicate that targeting consumers who perceive high social norms in relation to proenvironmental behavior and communicating the hedonic and normative aspects of proenvironmental behaviors to this group might be more effective than general mass communication.
The effects of infrared stabilized immature rice grain flour in gluten‐free bread preparation
Authors: Özer Melike , Yılmaz Tuncel Neşe , Tuncel Necati Barış 
Published: May 2018

AbstractImmature rice grain, which is one of the by‐products of paddy milling process, was used in gluten‐free bread production at the levels of 0% (control) 30%, 50%, 70%, and 100% after being stabilized using infrared radiation (at 1,600 W for 4 min). The effects of the infrared stabilized immature rice grain flour (IRGF) substitution on proximate composition, cooking properties, crumb and crust color, mineral composition, B1 and B2 vitamins, tocopherols, gamma‐oryzanol, texture, and sensory properties of the breads were evaluated. Insoluble dietary fiber, Mg, Mn, K, and Fe contents of the breads remarkably increased with IRGF incorporation (p < 0.05). Tocopherol content of the breads substituted with IRGF at the level of 100% was 77% higher than that of the control bread, whereas no notable variation was observed for vitamin B1 with regard to IRGF substitution (p > 0.05). Gamma‐oryzanol content of the breads made from IRGF (100%) was about three times higher than that of the tocopherol content. Hardness, adhesiveness, gumminess, and chewiness of the breads pronouncedly increased with the incorporation of IRGF at the level of 50% or higher. Gluten‐free bread substituted with IRGF at the level of 30% was the most preferred bread with respect to consumers’ overall acceptance.
A Dehydrogenase Dual Hydrogen Abstraction Mechanism Promotes Estrogen Biosynthesis: Can We Expand the Functional Annotation of the Aromatase Enzyme?
Authors: Spinello Angelo , Pavlin Matic , Casalino Lorenzo , Magistrato Alessandra 
Published: May 2018

AbstractCytochrome P450 (CYP450) enzymes are involved in the metabolism of exogenous compounds and in the synthesis of signaling molecules. Among the latter, human aromatase (HA) promotes estrogen biosynthesis, which is a key pharmacological target against breast cancers. After decades of debate, interest in gaining a comprehensive picture of HA catalysis has been renewed by the recent discovery that compound I (Cpd I) is the reactive species of the peculiar aromatization step. Herein, for the first time, a complete atomic‐level picture of all controversial steps of estrogen biosynthesis is presented. By performing cumulative quantum‐classical molecular dynamics and metadynamics simulations of about 180 ps, it is revealed that the most likely enzymatic path relies on three factors: 1) androstenedione enolization and compound 0 (Cpd 0) formation through a proton network mediated by Asp309; 2) subsequent formation of Cpd I, upon rearrangement of the Asp309 side chain and the establishment of a proton network involving Asp309 and Thr310; and 3) after two hydroxylation reactions, 19,19‐gem‐diol is converted into estrone by Cpd I, through an uncommon dehydrogenase‐like dual hydrogen abstraction mechanism. As a result, HA performs estrogen biosynthesis by merging hydroxylase with dehydrogenase activity, which suggests that the need to perform complex chemical transformations led nature to engineer HA, and possibly other steroidogenic CYP450s, by expanding its range of functions to achieve an optimal catalytic efficiency.
Probing Calcium‐Based Metal‐Organic Frameworks via Natural Abundance 43Ca Solid‐State NMR Spectroscopy
Authors: Chen Shoushun , Lucier Bryan E. G. , Chen Mansheng , Terskikh Victor V. , Huang Yining 
Published: May 2018

AbstractCalcium‐based metal‐organic frameworks (MOFs) are of high importance due to their low cost and bio‐compatible metal centers. Understanding the local environment of calcium in these materials is critical for unraveling the origins of specific MOF properties. 43Ca solid‐state NMR spectroscopy is one of the very few techniques that can directly characterize calcium metal centers, however, the 43Ca nucleus is a very challenging target for solid‐state NMR spectroscopy due to its extremely low natural abundance and resonant frequency. In this work, natural abundance 43Ca solid‐state NMR spectroscopy, at a high magnetic field of 21.1 T, has been employed to characterize several calcium‐based MOFs. We demonstrate that 43Ca NMR spectra and quantum chemical calculations can probe the local structure of calcium metal centers within MOFs, investigate the presence of guests, and monitor phase changes.
Kinetic Studies on the Crosslinking of Cellulose Membranes with Polyfunctional Epoxides in Aqueous Solution
Authors: Tolk Jakob , Ruhr Dominik , Reiche Annette , van der Kruijs Sandra 
Published: May 2018

AbstractThe kinetic parameters of the crosslinking reaction between cellulose membranes and an aqueous solution of 1,4‐butanediol diglycidyl ether were determined by dynamic differential scanning calorimetry (DSC) experiments. The reaction shows an autocatalytic behavior which was described by an extended Prout‐Tompkins equation. Conversion curves were simulated based on these results and function as a basis for the design and improvement of continuous processes used for the industrial production of crosslinked cellulose membranes.
Cytotoxic Activity and Structure–Activity Relationship of Triazole‐Containing Bis(Aryl Ether) Macrocycles
Authors: Hernández‐Vázquez Eduardo , Chávez‐Riveros Alejandra , Romo‐Pérez Adriana , Ramírez‐Apán María Teresa , Chávez‐Blanco Alma D. , Morales‐Bárcenas Rocío , Dueñas‐González Alfonso , Miranda Luis D. 
Published: May 2018

AbstractCancer continues to be a worldwide health problem. Certain macrocyclic molecules have become attractive therapeutic alternatives for this disease because of their efficacy and, frequently, their novel mechanisms of action. Herein, we report the synthesis of a series of 20‐, 21‐, and 22‐membered macrocycles containing triazole and bis(aryl ether) moieties. The compounds were prepared by a multicomponent approach from readily available commercial substrates. Notably, some of the compounds displayed interesting cytotoxicity against cancer (PC‐3) and breast (MCF‐7) cell lines, especially those bearing an aliphatic or a trifluoromethyl substituent on the N‐phenyl moiety (IC50<13 μm). Additionally, some of the compounds were able to induce apoptosis relative to the solvent control; in particular, (Z)‐N‐cyclohexyl‐7‐oxo‐6‐[4‐(trifluoromethyl)phenyl]‐11H‐3,10‐dioxa‐6‐aza‐1(4,1)‐triazola‐4(1,3),9(1,4)‐dibenzenacyclotridecaphane‐5‐carboxamide (12 f) was the most potent in this regard (22.7 % of apoptosis).
Approximate Separability of the Green's Function of the Helmholtz Equation in the High Frequency Limit
Authors: Engquist Björn , Zhao Hongkai 
Published: May 2018

AbstractThe minimum number of terms that are needed in a separable approximation for a Green's function reveals the intrinsic complexity of the solution space of the underlying differential equation. It also has implications for whether low‐rank structures exist in the linear system after numerical discretization. The Green's function for a coercive elliptic differential operator in divergence form was shown to be highly separable [2], and efficient numerical algorithms exploiting low‐rank structures of the discretized systems were developed.In this work, a new approach to study the approximate separability of the Green's function of the Helmholtz equation in the high‐frequency limit is developed. We show (1) lower bounds based on an explicit characterization of the correlation between two Green's functions and a tight dimension estimate for the best linear subspace to approximate a set of decorrelated Green's functions, (2) upper bounds based on constructing specific separable approximations, and (3) sharpness of these bounds for a few case studies of practical interest. © 2018 Wiley Periodicals, Inc.
Stable and Efficient Nitrogen‐Containing Carbon‐Based Electrocatalysts for Reactions in Energy‐Conversion Systems
Authors: Wang Sicong , Teng Zhengyuan , Wang Chengyin , Wang Guoxiu 
Published: May 2018

AbstractHigh activity and stability are crucial for the practical use of electrocatalysts in fuel cells, metal–air batteries, and water electrolysis, including the oxygen reduction reaction, hydrogen evolution reaction, oxygen evolution reaction, and oxidation reactions of formic acid and alcohols. Electrocatalysts based on nitrogen‐containing carbon (N‐C) materials show promise in catalyzing these reactions; however, there is no systematic review of strategies for the engineering of active and stable N‐C‐based electrocatalysts. Herein, a comprehensive comparison of recently reported N‐C‐based electrocatalysts regarding both electrocatalytic activity and long‐term stability is presented. In the first part of this review, the relationships between the electrocatalytic reactions and selection of the element to modify the N‐C‐based materials are discussed. Afterwards, synthesis methods for N‐C‐based electrocatalysts are summarized, and strategies for the synthesis of highly stable N‐C‐based electrocatalysts are presented. Multiple tables containing data on crucial parameters for both electrocatalytic activity and stability are displayed in this review. Finally, constructing M‐Nx moieties is proposed as the most promising engineering strategy for stable N‐C‐based electrocatalysts.
Influence of soil–water content on CO2 efflux within the elevation transect heavily impacted by erosion
Authors: Fér Miroslav , Kodešová Radka , Nikodem Antonín , Jelenová Klára , Klement Aleš 
Published: May 2018

AbstractThis study focused on the effects of organic carbon contents and soil hydraulic conditions on CO2 efflux. Samples were collected at 5 positions (summit, shoulder, backslope, footslope, and toeslope) of the elevation transect affected by erosion and the parent material (loess). Initially, air‐dried soil samples were placed on top of a clay tank, and the samples were wetted by capillary rise to soil saturation, and soil CO2 efflux was measured. Numerical inversions of the measured cumulative capillary rise and evaporation data using the HYDRUS‐1D program were applied to simulate the water regime in the columns and estimate the soil hydraulic parameters. In all cases, the net CO2 efflux (NCER) rapidly increased at the beginning of the wetting. NCER decreased with increasing soil–water content (summit, shoulder, backslope, and loess) or remained relatively stable (footslope and toeslope). The average soil–water content values at the maximal values of NCER (maxNCER) for the summit, shoulder, and footslope were similar. Lower average soil–water contents at maxNCER were simulated for the backslope, toeslope, and loess, which were attributed to the high contents of loess substrate in topsoil samples. The maxNCER measured on topsoils were closely related to the organic carbon contents (R = 0.94) and the maxNCER obtained on all samples correlated with the parameters αRES (R = 0.856) and nRES (R = −0.876) of the soil–water retention curves and saturated hydraulic conductivity (R = 0.856).
Influence of the Molecular Weight of Poly‐Acrylic Acid Binder on Performance of Si‐Alloy/Graphite Composite Anodes for Lithium‐Ion Batteries
Authors: Kasinathan Raam , Marinaro Mario , Axmann Peter , Wohlfahrt–Mehrens Margret 
Published: May 2018

AbstractIn this study Si‐alloy/graphite composite electrodes are manufactured using water‐soluble poly‐acrylic acid (PAA) binder of different molecular weights (250, 450 and 1250 kg mol−1). The study aims to assess the behavior of the different binders across all the steps needed for electrodes preparation and on their influence on the electrodes electrochemical behavior. At first, rheological properties of the water‐based slurries containing Si‐alloy, graphite, conductive carbon and PAA are studied. After coating, the adhesion strength and electronic conductivity of the manufactured electrodes are evaluated and compared. Finally, the electrochemical behavior of the composite anodes is evaluated. The electrodes show high gravimetric as well as high areal capacity (∼750 mAh/g; ∼3 mAh/cm2). The influence of the binder on the first cycle irreversible loss is considered as well as its effectiveness in minimizing the electrode volume variation upon lithiation/de‐lithiation. It is finally demonstrated that the use of 8 wt.% of PAA‐250k in the electrode formulation leads to the best performance in terms of high rate performance and long term stability.
Accurate nonlinear mapping between MNI volumetric and FreeSurfer surface coordinate systems
Authors: Wu Jianxiao , Ngo Gia H. , Greve Douglas , Li Jingwei , He Tong , Fischl Bruce , Eickhoff Simon B. , Yeo B.T. Thomas 
Published: May 2018

AbstractThe results of most neuroimaging studies are reported in volumetric (e.g., MNI152) or surface (e.g., fsaverage) coordinate systems. Accurate mappings between volumetric and surface coordinate systems can facilitate many applications, such as projecting fMRI group analyses from MNI152/Colin27 to fsaverage for visualization or projecting resting‐state fMRI parcellations from fsaverage to MNI152/Colin27 for volumetric analysis of new data. However, there has been surprisingly little research on this topic. Here, we evaluated three approaches for mapping data between MNI152/Colin27 and fsaverage coordinate systems by simulating the above applications: projection of group‐average data from MNI152/Colin27 to fsaverage and projection of fsaverage parcellations to MNI152/Colin27. Two of the approaches are currently widely used. A third approach (registration fusion) was previously proposed, but not widely adopted. Two implementations of the registration fusion (RF) approach were considered, with one implementation utilizing the Advanced Normalization Tools (ANTs). We found that RF‐ANTs performed the best for mapping between fsaverage and MNI152/Colin27, even for new subjects registered to MNI152/Colin27 using a different software tool (FSL FNIRT). This suggests that RF‐ANTs would be useful even for researchers not using ANTs. Finally, it is worth emphasizing that the most optimal approach for mapping data to a coordinate system (e.g., fsaverage) is to register individual subjects directly to the coordinate system, rather than via another coordinate system. Only in scenarios where the optimal approach is not possible (e.g., mapping previously published results from MNI152 to fsaverage), should the approaches evaluated in this manuscript be considered. In these scenarios, we recommend RF‐ANTs (https://github.com/ThomasYeoLab/CBIG/tree/master/stable_projects/registration/Wu2017_RegistrationFusion).
TitleIXStory Club: Creating Possibilities for Minoritized Middle School Girls in Physical Activity
Authors: Degener Rebekah May 
Published: May 2018

AbstractThe author draws on the ideas of counter‐storytelling and critical race methodology to examine the ways that urban, racially minoritized middle school girls create hope in sports and physical activity contexts. Although the passage of TitleIXhas brought more equal opportunities for many women and girls in sports, racially minoritized female athletes continue to feel opposition to their participation in sports and physical activity. This article identifies how middle school girls use critical counter‐storytelling to name narratives that others hold about them that impact their ability to participate in sports. The author highlights how, when given the opportunity, middle school girls can encourage one another to name and speak back to negative narratives. The author also offers suggestions for how educators might create space to hear the voices of racially minoritized girls in the curriculum.
Hybrid fed‐batch bioreactor operation design: control of substrate uptake enhances recombinant protein production in high‐cell‐density fermentations
Authors: Çalık Pınar , Hoxha Bebeta , Çalık Güzide , Özdamar Tunçer H 
Published: May 2018

AbstractBACKGROUNDThe hybrid fed‐batch bioreactor (HFBB) operation is a novel design method for high‐cell‐density fermentations. It employs fed‐batch and batch operations, starting with fed‐batch that in turn shifts to the next, and proceeds in successive cycles to enhance production and productivity by controlling the substrate uptake rate.RESULTSThe method was tested for the production of recombinant human growth hormone (rhGH) in Pichia pastoris under GAP promoter with carbon sources of (i) glucose and (ii) pre‐treated hydrolyzed sugar‐beet molasses containing equimolar glucose and fructose. The superior strategies were: (i) GH2, a HFBB with glucose feeding composed of ΔtFB = 1.5 h fed‐batch periods with continuous‐feed stream designed with the pre‐determined growth rate µ = 0.10 h−1, which shift in turn to ΔtB = 0.5 h batch periods; and (ii) MH2, a HFBB with molasses feeding designed in a similar way to GH2. The highest rhGH production attained in GH2 was 611 mg dm−3 at 8 h, whereas it was 625 mg dm−3 at 13.5 h in MH2. In GH2, rhGH production increased 1.37‐fold in half the cultivation time of GH2. However, in MH2 with dual carbon sources enriched with other substrates, higher rhGH production was obtained at the cost of lower productivity.CONCLUSIONThe HFBB is a powerful design method with a single carbon source which improves the productivity of high‐cell‐density fermentations. However, with molasses upon shifting to batch operations, the uptake of accumulated fructose is continued. Thus, the glamour of the HFBB is hindered for complex media fermentations to an extent, because multi‐carbon sources contribute to the growth during the batch periods by lengthening the cultivation time. © 2018 Society of Chemical Industry
The usefulness of past crime data as an attractiveness index for residential burglars
Authors: Hanayama Aiko , Haginoya Shumpei , Kuraishi Hiroki , Kobayashi Masakazu 
Published: May 2018

AbstractThis study examines the effects of neighbourhood attractiveness on the residential burglar's crime location choice process using a discrete choice model. We show that past crime data are an important index of a neighbourhood's attractiveness and can be combined with other attractiveness indices adapted from previous studies. We used data from 369 solved cases committed by 70 offenders and related these data to 1,134 areas (500 m grid cells) in Sendai City, Japan. The results showed that residential burglars were attracted to the following potential locations for crimes: (a) areas in proximity to his or her own residence; (b) areas having many or at least a higher proportion of residential burglaries in the past; (c) areas having many residential units; and (d) areas having a higher proportion of single‐family dwellings. The results confirm the validity of past crime data as an index of a neighbourhood's attractiveness for residential burglary.