bluuebunny/crossref_metadata_2025_split huggingface dataset:
Early pregnancy vitamin D status and risk of select congenital anomalies in the National Birth Defects Prevention Study
Authors: Adrien Nedghie , Orta Olivia R. , Nestoridi Eirini , Carmichael Suzan L. , Yazdy Mahsa M. ,   for the National Birth Defects Prevention Study
Published: October 2022

AbstractIntroductionVitamin D deficiency is associated with adverse pregnancy events. However, its role in the etiology of congenital anomalies remains unclear. We examined the association between vitamin D status, measured through prepregnancy diet, UV exposure, season of conception, and congenital anomalies.MethodsWe used data from the National Birth Defects Prevention Study, a U.S. population‐based case–control study (1997–2011). Prepregnancy dietary vitamin D was calculated from food frequency questionnaires and evaluated using tertiles, based on the distribution in controls. We used the National Oceanic and Atmospheric Administration Weather Service to assign UV indices based on location and estimated date of conception, then dichotomized UV exposure (low vs. high). Seasons of conception was categorized as fall/winter spring/summer. We used logistic regression to estimate adjusted odds ratios (aOR) and 95% confidence intervals (CI).ResultsLower prepregnancy dietary vitamin D intake (<65.21 IU/d vs. >107.55 IU/d) was associated with increased odds of anencephaly (aOR = 1.28, 95% CI 1.01, 1.63), hypospadias (aOR = 1.21, 95% CI 1.04, 1.40), septal defects (aOR = 1.16, 95% CI 1.05, 1.30), diaphragmatic hernia (aOR = 1.42, 95% CI 1.13, 1.79), and gastroschisis (aOR = 1.27, 95% CI 1.07, 1.52). Findings were consistent when we stratified by UV exposure and season of conception.ConclusionsOur findings suggest lower dietary intake of vitamin D may be associated with increased risk of select congenital anomalies. Further investigations are warranted to evaluate the effects of other nutrients and appropriate thresholds and sources of vitamin D using serum.
Self‐determination, restrictive eating, and psychological needs: Challenges for young athletes
Authors: Clermont Camille , Paquette Linda , Lalande Daniel , Dion Jacinthe 
Published: October 2022

AbstractObjectiveThe purpose of this study was to examine the mediating role of self‐determination for sport in the relationship between psychological needs in a sport context, and restrictive eating behaviors among adolescent athletes, while controlling for confounding variables.MethodSelf‐report online surveys were completed by 983 adolescent athletes (41.3% identified as girls, M = 14.63 years, SD = 0.765). Structural equation modeling was conducted to investigate the hypothesized associations between basic psychological need satisfaction and frustration in sport, self‐determination for sport, and restrictive eating behaviors, controlling for the level of competition and the type of sport practiced. Gender differences between the associations were assessed using moderation analysis.ResultsGirls reported significantly more restrictive eating behaviors (Mgirls = 0.85; SD = 1.39 vs. Mboys = 0.62; SD = 1.31). Both associations between basic psychological need frustration and satisfaction and restrictive eating behaviors were mediated by self‐determination for sport (β = 0.054, 95% bootstrap IC = 0.027–0.089; β = −0.045, 95% bootstrap IC = −0.079 to −0.021). Further, gender moderated an association so that frustration of basic psychological in sport more strongly predicted restrictive eating behaviors in girls (β = 0.256; p = 0.008), compared with boys.DiscussionOur study reveals considerable gender differences in the mechanism underlying the adoption of restrictive eating in adolescent athletes. The research also fills a gap in the literature by supporting the assumptions of the Hierarchical Model of Intrinsic and Extrinsic Motivation in eating behaviors, specifically in the sport context.
Systemic analysis of the DNA replication regulator origin recognition complex in lung adenocarcinomas identifies prognostic and expression significance
Authors: Tang Min , Chen Juan , Zeng Tian , Ye Dong‐mei , Li Yu‐kun , Zou Juan , Zhang Yu‐ping 
Published: October 2022

AbstractBackgroundDNA replication alteration is a hallmark of patients with lung adenocarcinoma (LUAD) and is frequently observed in LUAD progression. Origin recognition complex (ORC) 1, ORC2, ORC3, ORC4, ORC5, and ORC6 form a replication–initiator complex to mediate DNA replication, which plays a key role in carcinogenesis, while their roles in LUAD remain poorly understood.MethodsThe mRNA and protein expression of ORCs was confirmed by the GEPIA, HPA, CPTAC, and TCGA databases. The protein–protein interaction network was analyzed by the GeneMANIA database. Functional enrichment was confirmed by the Metascape database. The effects of ORCs on immune infiltration were validated by the TIMER database. The prognostic significance of ORCs in LUAD was confirmed by the KM‐plot and GENT2 databases. DNA alteration and protein structure were determined in the cBioProtal and PDB databases. Moreover, the protein expression and prognostic value of ORCs were confirmed in our LUAD data sets by immunohistochemistry (IHC) staining.ResultsORC mRNA and protein were significantly increased in patients with LUAD compared with corresponding normal tissue samples. The results of IHC staining analysis were similar result to those of the above bioinformatics analysis. Furthermore, ORC1 and ORC6 had significant prognostic values for LUAD patients. Furthermore, the ORC cooperatively promoted LUAD development by driving DNA replication, cellular senescence, and metabolic processes.ConclusionThe ORC, especially ORC1/6, has important prognostic and expression significance for LUAD patients.
Triterpenoid Saponins from the Fruits of Symplocos lucida as β‐Glucuronidase Inhibitors
Authors: Higashi Reina , Ohta Emi , Ômura Hisashi , Uy Mylene M. , Ohta Shinji 
Published: October 2022

AbstractA new triterpenoid saponin and five known ones were isolated from the fruits of Symplocos lucida (Thunb.) Siebold & Zucc. Their structures were determined based on the results of spectroscopy analysis, chemical conversions, and X‐ray crystallographic analyses. The β‐glucuronidase‐inhibitory effects of the isolated and semi‐synthesized triterpenoid saponins were also examined.
Theories supporting board reform
Authors: Eddy Pamela L. , Kater Susan T. , Gillett‐Karam Rosemary 
Published: October 2022

AbstractThis chapter reviews social and organizational theories that influence governance to contextualize new ways to think about the roles of boards of trustees. This chapter discusses how various organizational theories help define the roles of boards of trustees, the CEO, and other stakeholders with respect to governance. Using this backdrop, reforms to advance thinking about board operations that advance the mission of community colleges are presented. For example, student success and equity are at the forefront of challenges facing community college leaders and their boards. Understanding more fully how board actions and relationships can help advance this work is critical, and more research on governance and trustees is needed.
Synthesis of Mn(OH)(OCH3) as a Novel Precursor for 2D MnS‐Based Lithium‐ and Sodium‐Ion Battery Anode Materials
Authors: Chen Xunjie , Zhang Menghui , Liu Zhiting , Cai Jianzhong , Fan Haosen , Cui Yuyan , Wu Zenan , Peng Feng 
Published: October 2022

AbstractInvited for this issue's Front Cover is the group of Professor Feng Peng from School of Chemistry and Chemical Engineering, Guangzhou University (China). The cover picture illustrates 2D α‐MnS‐based anode materials for lithium/sodium‐ion batteries. The characteristic 2D porous structure of α‐MnS together with conductive carbon shells endow N, S co‐doped carbon coated α‐MnS composite with great Li‐/Na‐ion storage performance. Read the full text of the Research Article at 10.1002/celc.202200738.
Probing the Structural Dynamics of a Bacterial Chaperone in Its Native Environment by Nitroxide‐Based EPR Spectroscopy
Authors: Pierro Annalisa , Bonucci Alessio , Normanno Davide , Ansaldi Mireille , Pilet Eric , Ouari Olivier , Guigliarelli Bruno , Etienne Emilien , Gerbaud Guillaume , Magalon Axel , Belle Valérie , Mileo Elisabetta 
Published: October 2022

AbstractOne of the greatest current challenges in structural biology is to study protein dynamics over a wide range of timescales in complex environments, such as the cell. Among magnetic resonances suitable for this approach, electron paramagnetic resonance spectroscopy coupled to site‐directed spin labeling (SDSL‐EPR) has emerged as a promising tool to study protein local dynamics and conformational ensembles. In this work, we exploit the sensitivity of nitroxide labels to report protein local dynamics at room temperature. We demonstrate that such studies can be performed while preserving both the integrity of the cells and the activity of the protein under investigation. Using this approach, we studied the structural dynamics of the chaperone NarJ in its natural host, Escherichia coli. We established that spin‐labeled NarJ is active inside the cell. We showed that the cellular medium affects NarJ structural dynamics in a site‐specific way, while the structural flexibility of the protein is maintained. Finally, we present and discuss data on the time‐resolved dynamics of NarJ in cellular context.
Lead‐Free Metal Halide Perovskite Nanocrystals: From Fundamentals to Applications
Authors: de Souza Carvalho Thaís Adriany , Magalhaes Leticia Ferreira , do Livramento Santos Calink Indiara , de Freitas Thiago Alvares Zamaro , Carvalho Vale Brener Rodrigo , Vale da Fonseca André Felipe , Schiavon Marco Antônio 
Published: October 2022

AbstractLead (Pb) halide perovskite nanocrystals, with the general formula APbX3, where A=CH3NH3+, CH(NH2)2+, or Cs+ and X=Cl−, Br−, or I−, have emerged as a class of materials with promising properties due to their remarkable optical properties and solar cell performance. However, important issues still need to be addressed to enable practical applications of these materials, such as instability, mass production, and Pb toxicity. Recent studies have carried out the replacement of Pb by various less‐toxic cations as Sn, Ge, Sb, and Bi. This variety of chemical compositions provide Pb‐free perovskite and metal halide nanostructures with a wide spectral range, in addition to being considered less toxic, therefore having greater practical applicability. Highlighting the necessity to address and solve the toxicity problems related to Pb‐containing perovskite, this review considers the prospects of the Pb‐free perovskite, involving synthesis methods, and properties of them, including advantages, disadvantages, and applications.
Bridging Chemical Knowledge and Machine Learning for Performance Prediction of Organic Synthesis
Authors: Zhang Shuo‐Qing , Xu Li‐Cheng , Li Shu‐Wen , Oliveira João C. A. , Li Xin , Ackermann Lutz , Hong Xin 
Published: October 2022

AbstractRecent years have witnessed a boom of machine learning (ML) applications in chemistry, which reveals the potential of data‐driven prediction of synthesis performance. Digitalization and ML modelling are the key strategies to fully exploit the unique potential within the synergistic interplay between experimental data and the robust prediction of performance and selectivity. A series of exciting studies have demonstrated the importance of chemical knowledge implementation in ML, which improves the model's capability for making predictions that are challenging and often go beyond the abilities of human beings. This Minireview summarizes the cutting‐edge embedding techniques and model designs in synthetic performance prediction, elaborating how chemical knowledge can be incorporated into machine learning until June 2022. By merging organic synthesis tactics and chemical informatics, we hope this Review can provide a guide map and intrigue chemists to revisit the digitalization and computerization of organic chemistry principles.
Performance of pseudo‐specific cryogel in lysozyme purification from chicken egg white
Authors: Meira Ana Cristina Freitas de Oliveira , da Silva Richard Marins , Neves Isabelle Cristina Oliveira , Minim Luis Antônio , Veríssimo Lizzy Ayra Alcântara , de Resende Jaime Vilela 
Published: October 2022

AbstractThe application of cryogels for biomolecule purification has expanded due to their adsorption efficiency and operational advantages. In this study, polyacrylamide cryogels functionalized with l‐phenylalanine (cryogel‐Phe) via the glutaraldehyde method were designed for lysozyme adsorption. Cryogel functionalization was confirmed by Fourier‐transform infrared spectroscopy and Kjeldahl analysis, indicating the immobilization of 458.65 mgphenylalanine gcryogel−1. Cryogel‐Phe showed high porosity (0.95) and a Young's modulus of 526.71 kPa. Thermogravimetric analysis indicated that thermal degradation occurred above 200°C. Differential scanning calorimetry and X‐ray diffraction confirmed that the cryogel material was amorphous. In addition, the column presented a hydraulic permeability of 4.15 × 10−13 m2, axial dispersion ranging from 10−7 to 10−6 m2 s−1, and a height equivalent to a theoretical plate ranging from 0.10 to 0.21 cm. The highest adsorption of lysozyme (67.65 mg g−1) was obtained using sodium thiocyanate saline solution (0.025 mol L−1, pH 5.0). The ability of the cryogel‐Phe column to capture and purify lysozyme was confirmed by high enzymatic activity (1294.17 U ml−1), purity (87.92%), purification factor (11.49), and sulphate‐polyacrylamide electrophoresis gel (SDS‐PAGE) electrophoresis gel.
Recent Developments in Copper(I)‐Catalyzed Enantioselective Alkynylation Reactions via a Radical Process
Authors: Mo Xueling , Guo Rui , Zhang Guozhu 
Published: October 2022

Comprehensive SummaryAlkynes are one of the most significant functional groups in organic chemistry and great efforts have been made to explore efficient approach for the construction of chiral alkynes. The asymmetric C(sp3)–C(sp) cross‐coupling provides a significant complementary strategy through radical‐initiated process. However, the stereocontrol of highly reactive and unstable radical intermediate has been a challenge for decades. To address this problem, a variety of chiral ligands are developed for initiating the reaction and achieving enantiocontrol of alkyl radicals. This review summarizes recent developments in copper‐catalyzed enantioselective alkynylation of prochiral alkyl radicals and their brief mechanistic studies.
Isolation of Protein Complexes from Tobacco Leaves by a Two‐Step Tandem Affinity Purification
Authors: Martin Raoul , Liu Furong , Staskawicz Brian 
Published: October 2022

AbstractProtein purification is an essential method for understanding protein function, as many biochemical and structural techniques require a high concentration of isolated protein for analysis. Yet, many studies of protein complexes are hampered by our inability to express them recombinantly in model systems, generally due to poor expression or aggregation. When studying a protein complex that requires its host cellular environment for proper expression and folding, endogenous purification is typically required. Depending on the protein of interest, however, endogenous purification can be challenging because of low expression levels in the host and lack of knowledge working with a non‐model expression system, resulting in yields that are too low for subsequent analysis. Here, we describe a protocol for the purification of protein complexes endogenous to Nicotiana benthamiana directly from leaf tissue, with yields that enable structural and biochemical characterization. The protein complex is overexpressed in Nicotiana benthamiana leaves via agroinfiltration, and the protein‐packed leaves are then mechanically ground to release the complex from the cells. The protein complex is finally purified by a simple two‐step tandem affinity purification using distinct affinity tags for each complex member, to ensure purification of the assembled complex. Our method yields enough protein for various biochemical or structural studies. We have previously used this protocol to purify the complex formed by an innate immune receptor native to tobacco, ROQ1, and the Xanthomonas effector XopQ, and to solve its structure by single‐particle cryo‐electron microscopy—we use this example to illustrate the approach. This protocol may serve as a template for the purification of proteins from N. benthamiana that require the plant's cellular environment and are expressed at low levels. © 2022 Wiley Periodicals LLC.Basic Protocol 1: Expression of the protein complex in leaf tissueBasic Protocol 2: Tandem affinity purification of the ROQ1‐XopQ complex
Sex differences in myelination of the zebra finch vocal control system emerge relatively late in development
Authors: Diez Adriana , Wang Shenghan , Carfagnini Nicole , MacDougall‐Shackleton Scott A. 
Published: October 2022

AbstractThe role of myelination in the development of motor control is widely known, but its role in the development of cognitive abilities is less understood. Here, we examined sex differences in the development of myelination of structures and tracts that support song learning and production in songbirds. We collected brains from 63 young male and female zebra finches (Taeniopygia guttata) over four stages of development that correspond to different stages of song learning. Using a myelination marker (myelin basic protein), we measured the development of myelination in three different nuclei of the vocal control system (HVC, RA, and lateral magnocellular nucleus of the anterior nidopallium [LMAN]) and two tracts (HVC‐RA and lamina mesopallium ventralis [LMV]). We found that the myelination of the vocal control nuclei and tracts is sex related and male biased. In males, the patterns of myelination were age‐dependent, asynchronous in rate and progression and associated with the development of song learning and production. In females, myelination of vocal control nuclei was low or absent and did not significantly change with age. Sex differences in myelination of the HVC‐RA tract were large and emerged late in development well after sex differences in the size of vocal control brain regions are established. Myelination of this tract in males coincides with the age of song crystallization. Overall, the changes in myelination in the vocal control areas and tracts measured are region‐, age‐, and sex‐specific and are consistent with sex differences in song development.
A comprehensive UHPLC–MS/MS method for the analysis of endogenous and exogenous steroids in serum for anti‐doping purposes
Authors: Langer Tobias , Salamin Olivier , Nicoli Raul , Grabherr Silke , Kuuranne Tiia , Musenga Alessandro 
Published: October 2022

AbstractIn the context of steroid analyses, the use of blood could represent a valuable complement to urine. While the blood steroid profile is currently being established to aid unveiling testosterone (T) doping, this matrix is also well suited for detection of exogenous anabolic steroids and steroid esters. In this study, a method to determine a simplified blood steroid profile in combination with the direct detection of exogenous anabolic steroids and steroid esters using just one serum aliquot was developed to obtain a comprehensive analytical workflow. Following the first chromatographic analysis of endogenous and exogenous steroids, samples were derivatised with Girard's reagent T (GT) to improve the ionisation of steroid esters and re‐injected. The quantitative performance for T, androstenedione (A4) and 5α‐dihydrotestosterone (DHT) was evaluated and the method was validated for qualitative analysis of exogenous analogues with estimated limits of detection (LOD) between 50 and 500 pg/ml. To demonstrate the applicability of the method, samples collected from a clinical study with an oral administration of testosterone undecanoate (TU) to 19 male volunteers were then analysed. The individual serum steroid profiles with the endogenous markers T, A4 and DHT were established as well as the concentrations of TU. TU was detected in all 19 volunteers up to 24 h, while DHT represented the most promising biomarker in endogenous steroid profile for the detection of oral TU administration. These results showed that the selected approach to combine exogenous and endogenous steroid analysis has the potential to strengthen T doping detection in the future.
Gradual specialization of phagocytic ameboid cells may have impaired regenerative capacities in metazoan lineages
Authors: de Lima Felipe Matheus Ribeiro , Abrahão Isabella , Pentagna Nathalia , Carneiro Katia 
Published: October 2022

AbstractAnimal regeneration is a fascinating field of research that has captured the attention of many generations of scientists. Among the cellular mechanisms underlying tissue and organ regeneration, we highlight the role of phagocytic ameboid cells (PACs). Beyond their ability to engulf nutritional particles, microbes, and apoptotic cells, their involvement in regeneration has been widely documented. It has been extensively described that, at least in part, animal regenerative mechanisms rely on PACs that serve as a hub for a range of critical physiological functions, both in health and disease. Considering the phylogenetics of PAC evolution, and the loss and gain of nutritional, immunological, and regenerative potential across Metazoa, we aim to discuss when and how phagocytic activity was first co‐opted to regenerative tissue repair. We propose that the gradual specialization of PACs during metazoan derivation may have contributed to the loss of regenerative potential in animals, with critical impacts on potential translational strategies for regenerative medicine.
Systemic blood pressure in severe aortic stenosis: Haemodynamic correlates and long‐term prognostic impact
Authors: Maeder Micha T. , Rickli Hans , Weber Lukas , Weilenmann Daniel , Ammann Peter , Joerg Lucas , Haager Philipp K. , Rigger Johannes , Chronis Joannis , Brenner Roman 
Published: October 2022

AbstractAimsBlood pressure (BP) targets in patients with aortic stenosis (AS) are controversial. This study sought to describe the haemodynamic profile and the clinical outcome of severe AS patients with low versus high central meaarterial pressure (MAP).Methods and resultsPatients with severe AS (n = 477) underwent right and left heart catheterization prior to aortic valve replacement (AVR). The population was divided into MAP quartiles. The mean systolic BP, diastolic BP, and MAP in the entire population were 149 ± 25, 68 ± 11, and 98 ± 14 mmHg. Patients in the lowest MAP quartile had the lowest left ventricular ejection fraction (LVEF), systemic vascular resistance, and valvulo‐arterial impedance, whereas there were no significant differences in mean right atrial pressure, mean pulmonary artery wedge pressure, pulmonary vascular resistance, and stroke volume index across MAP quartiles. However, left ventricular stroke work index (LVSWI) was lowest in patients in the lowest and highest in those in the highest MAP quartile. After a median (interquartile range) post‐AVR follow‐up of 3.7 (2.6–5.2) years, mortality was highest in patients in the lowest MAP quartile [hazard ratio 3.08 (95% confidence interval 1.21–7.83); P = 0.02 for lowest versus highest quartile]. In the multivariate analysis, lower MAP [hazard ratio 0.78 (95% confidence interval 0.62–0.99) per 10 mmHg increase; P = 0.04], higher mean right atrial pressure and lower LVEF were independent predictors of death.ConclusionsIn severe AS patients, lower MAP reflects lower systemic vascular resistance and valvulo‐arterial impedance, which may help to preserve stroke volume and filling pressures despite reduced left ventricular performance, and lower MAP is a predictor of higher long‐term post‐AVR mortality.