bluuebunny/crossref_metadata_2025_split huggingface dataset:
From the Felkin‐Anh Rule to the Grignard Reaction: an Almost Circular 50 Year Adventure in the World of Molecular Structures and Reaction Mechanisms with Computational Chemistry**
Authors: Eisenstein Odile 
Published: February 2022

AbstractThis rosarium article relates the adventure started 50 years ago of a computational chemist who was interested in molecules; what are they, what are their shape and how do they react. The story describes results, still valid today, obtained with highly simplified models of chemical reality and elementary computational methods and the gain resulting from the use of better models and more elaborate computational methods. It was necessary to select examples. In this presentation, focus is on hydride and dihydrogen complexes as well as on nucleophiles. Nucleophiles were considered as free hydrides in gas phase at the start of the rosarium while the Grignard reaction is treated with ab initio molecular mechanisms at the end of it.
Community college practices regarding the collection of LGBTQ+ student data
Authors: Doan Kurt B. 
Published: February 2022

AbstractIn this chapter, the author examines the extent to which community colleges invite students to share their sexual orientation and gender identity (SOGI) data, and the barriers to collecting such data. The author also underscores the important role that higher education professionals, particularly those in institutional research, can play in advocating for sexual minority students.
Building capacities on campus for equity‐focused data: The equity liaison program at University of Wisconsin–La Crosse
Authors: Engen Graciela E. , Solverson Natalie Walleser 
Published: February 2022

AbstractWhile many campuses have access to and publish equity‐focused data, it can be difficult to share that data with the campus community in a way that engages multiple offices. This article outlines the Equity Liaison Initiative at the University of Wisconsin–La Crosse, which engages individuals from most offices on campus with equity‐focused data to affect change in their individual departments. We provide an overview of the development of the Equity Liaison Initiative, some lessons we learned through the process, discuss potential directions for the program and identify future challenges we expect to encounter.
Equity at the edge of chaos: Applying complex adaptive systems theory to higher education
Authors: Ueland Jeffrey S. , Hinds Teri Lyn , Floyd Nancy D. 
Published: February 2022

AbstractComplex adaptive systems (CASs) theory provides a framework for understanding how systems of multiple, independent, and intelligent agents interact with each other in a nested and overlapping set of environments to create both a whole that has an identity apart from any of its individual components as well as a setting in which simple cause‐and‐effect relationships are rarely linear or predictable. CASs are resilient and ever‐evolving, adapting both to internal and external stimuli according to both tacit and explicit rule structures to move continually toward the better realization of an ideal state as defined by those rules. Managing change within CAS requires capitalizing on moments of disruption, sometimes referred to as the edge of chaos, to guide the system toward a different, more desired state. Higher education institutions and systems can easily be described as meeting the criteria for CAS, containing multiple layers of both hierarchical and collegial networks that seem at times to stubbornly resist transformative change, while simultaneously adapting and evolving. This article will use Minnesota State's Equity 2030 strategic priority and efforts to implement a shared understanding of data democratization as examples to explain the application of CAS theory to higher education and discuss how applying transition management approaches from the CAS literature has the potential to lead to long‐term and sustainable structural change.
Influence of organic acids on the phases and physical characteristics of titanium dioxide synthesized by sol–gel for air depollution through heterogeneous photocatalysis
Authors: Palacio Claudia , Alvarez Alejandro , Mejía‐Roldán Andrés F. , Urquijo Jeaneth P. , Arias Jhoman A. , Cardona Roger A. , Vélez‐Monsalve Leidy C. , Mejía‐Sepúlveda Juliana , Saldarriaga Julio C. , Correa Mauricio A. , Vargas Fabio 
Published: February 2022

AbstractBACKGROUNDAir pollution in big cities is becoming a global problem due to its negative consequences on human health and the ecosystem. Currently, some materials available promise successful gases pollutants removal, by reacting with them through photocatalysis when sunlight irradiates them. The most studied and applied material is TiO2; due to its chemical stability and availability, it is widely incorporated into cements, bricks, coatings, etc.RESULTSIn this study, powders of titanium dioxide were synthesized through the sol–gel method using tetraisopropoxide with and without organic acids. Their photocatalytic activity was determined by the colorimetric method, following the standard UNI‐11259, and by the NO abatement test using the international standard ISO‐22197‐1. The results of the colorimetric test indicate that all the samples are photoactive according to the criteria stablished in the standard. Additionally, a similar photocatalytic performance was evidenced in the NO abatement tests for all the samples despite the differences in their particle sizes and in their crystalline phase distributions obtained without and with the different organic acids used in the synthesis process.CONCLUSIONThe particles synthesized show that the use of organic acids influences the decrease in particle size; moreover, in the case of citric acid, a favourable effect on the appearance of the rutile phase is perceived.All the samples were photoactive and their photocatalytic performance, evaluated under a NO atmosphere, were not negatively affected by the largest particle size (150 nm) nor by the rutile phase content (42 wt.%). © 2022 Society of Chemical Industry (SCI).
Echocardiographic features of left ventricular recess, cleft, diverticulum, and aneurysm: A systematic review
Authors: Høyland Kjell , Mohamed Ali Abukar , Vegsundvåg Johnny , Chambers John B. , Saeed Sahrai 
Published: February 2022

AbstractA pouch protruding into the wall of the left ventricle (LV) may be either a recess, cleft, diverticulum, or aneurysm. Being aware of these anomalies is essential to make accurate diagnosis and guide management decisions. Standard multimodality imaging of the heart enables detailed characterizations of LV fissures and outpouchings. They often present as an incidental finding on echocardiography, and the clinical significance can be difficult to address. We provide an overview of echocardiographic features of LV recess, cleft, diverticulum, pseudoaneurysms/aneurysms, and non‐compaction based upon review of the literature as well as present some relevant clinical cases from our echocardiography labs.
Manure methane emissions over three years at a swine farm in western Canada
Authors: VanderZaag A. C. , Glenn A. , Balde H. 
Published: February 2022

AbstractSwine manure is kept in outdoor storage facilities until it is applied to cropland. Anaerobic conditions facilitate microbial methane (CH4) production at a rate that depends on temperature. Manure CH4 emissions can be the largest contributor to the carbon footprint of pork production. Despite the importance of CH4, its actual emissions in cold temperate climates are highly uncertain. This study measured emissions from a single‐cell earthen manure storage facility at a commercial swine farm near Brandon, Manitoba, Canada, for 3 yr. Complimentary laboratory measurements were done to assess CH4 potential (B0). The manure storage regularly received manure from the barn and was only emptied in October. In the summer, manure temperature was usually lower than the air temperature, with the manure temperature (averaged across depths) warming to between 15 and 18.5 °C for only 9 wk. Emissions of CH4 were low, with the CH4 conversion factor being between 3.0 and 11.0%, depending on the year (using the IPCC 2019 default B0). Scaled by the number of swine reaching market weight (125 kg) each year, CH4 emissions were between 250 and 902 g CH4 animal−1. Laboratory measurements of CH4 production potential scaled by VS were 335 ml CH4 g−1 VS at 37 °C, perhaps lower than the IPCC 2019 default value due to barley (Hordeum vulgare L.) in the ration and degradation in the under‐barn pit prior to transfer outdoors. Taken together, the low manure temperatures, short warm season, and barley in the ration suggest that emissions from swine manure in cold climates like western Canada are considerably lower than previously estimated based on default factors.
Impact of the COVID‐19 national lockdown in the allergic rhinitis symptoms in patients treated with immunotherapy at two allergy referral centers in Bogotá, Colombia
Authors: Pérez‐Herrera Lucia C. , Ordoñez‐Cerón Sebastián , Moreno‐López Sergio , Peñaranda Daniel , García Elizabeth , Peñaranda Augusto 
Published: February 2022

AbstractBackgroundCoronavirus disease‐19 (COVID‐19) “lockdowns” caused an abruptly restricted access to health care services such as immunotherapy for allergic rhinitis (AR) and led to higher exposure to indoor allergens. This study aimed to assess the impact of COVID‐19 lockdowns on AR symptoms reported by the patients treated with immunotherapy who attended the Hospital Fundación Santa Fe de Bogotá and Unidad Médico Quirúrgica de Otorrinolaringología, Colombia.MethodsPre–post study that included patients with AR confirmed diagnosis (prick test), treated with immunotherapy before and after COVID‐19 lockdowns on March–June 2020. Visual analog scales (VAS) and sociodemographic questionnaires were applied to assess AR symptoms (nasal obstruction, pruritus, rhinorrhea, and ocular symptoms) and their associated factors.ResultsA total of 318 participants were included, and their mean age was 18.9 years (SD: 12.8). The median number of immunotherapy doses applied before isolation was 11 (interquartile range [IQR]: 6–19), and the median number of immunotherapy doses missed during isolation was three doses (IQR: 2–3). Up to 38.4% of the AR patients reported that their symptoms got worse during lockdowns. A pre–post mean difference in the VAS score of 0.5 was found for nasal obstruction (p = .01), 0.7 for pruritus (p < .001), 0.7 points for rhinorrhea (p < .001), and 0.8 for ocular symptoms (p < .001). Factors associated with worsening of AR symptom scores were pet ownership, atopic dermatitis, lower educational level, and a low number of immunotherapy doses applied before lockdowns.ConclusionA large proportion of patients reported worsening of their AR symptoms, probably due to higher exposure to indoor AR allergens and interruption of immunotherapy during COVID‐19 lockdowns.
Mass‐produced Cu nanoparticles as lubricant additives for reducing friction and wear
Authors: Zhang Yongshun , Xu Shurong , Zhao Zhisheng , Shi Juan , Zhao Yi , Zhang Guangan , Wu Zhiguo 
Published: February 2022

AbstractThis paper reported the tribological behaviours of Cu nanoparticles as lubricant additives. Cu nanoparticles were prepared by an innovative technology called mass‐produced nanoparticles (MPNP). A SRV‐IV friction and wear tester was used to investigate the influence of load on the tribological performance of 0.1 ~ 2 wt% Cu nanoparticles. The results indicated adding 0.1 wt% Cu nanoparticles into PAO6 base oil and 10 W/40 CH‐4 commercial lubricant, reduce the average friction coefficient by 38% and 3%, and decrease the wear rate by 96% and 66% under 300 N, respectively, compared to the lubricants without nanoparticles. The excellent antiwear and antifriction effect could be attributed to the rolling effect caused by the ideal spherical shape and good dispersibility of the prepared Cu nanoparticles and form deposition film on the surface of the friction pair. Therefore, the Cu nanoparticles prepared by MPNP show excellent tribological performance and possess broad prospects in the fields of lubricant additives.
SARS‐CoV‐2 Omicron variant: A next phase of the COVID‐19 pandemic and a call to arms for system sciences and precision medicine
Authors: Mostafavi Ebrahim , Dubey Ankit Kumar , Teodori Laura , Ramakrishna Seeram , Kaushik Ajeet 
Published: February 2022

AbstractSince early 2020, coronavirus diseases 2019 (COVID‐19) infection pandemic/endemic is constantly surprising health experts because of continuous variations in the structures of severe acute respiratory coronavirus 2 (SARS‐CoV‐2) in the form of newly emerged variants. Such mutations have exhibited high mortality and severity due to the newly emerged more infectious sites of SARS‐CoV‐2, making viral infection more transmissible, infectious, and severe. Recently, SARS‐CoV‐2 mutated to another variant, namely, Omicron (B.1.1.529), which is many times more transmissible and infectious than existed deadly Delta variants of the virus. This severity is closely correlated to a larger number of mutations observed in the receptor‐binding domain of the spike protein of the Omicron‐SARS‐CoV‐2. Considering severity, Omicron has been declared as variant of concerns by the World Health Organization and within days from its emergence, Omicron infection has spread globally, increased hospitalization, exhibited more severity for the young generation, invaded defense mechanism of natural immunity, not responsive to the available vaccines. Such circumstances resonated with the efficiency of available strategies established to manage COVID‐19 intelligently and successfully. To explore these aspects, this perspective article carefully and critically summarizes the Omicron's origin, structure, pathogenesis, impact health along with health systems, and experts’ recommendations to manage it successfully.
The optimization of a diode‐pumped continuous‐wave Nd:GdNbO4 laser under direct pumping
Authors: Dang Hongtao , Tang Yingqi , Ma Y. F. , Qiao Yukun 
Published: February 2022

AbstractA diode‐pumped continuous‐wave (CW) Nd:GdNbO4 laser were investigated and optimized when an 879 nm laser diode (LD) was adopted. The direct pumping of 879 nm LD was used to pump the ground state population into the laser upper level directly. The CW output performance of the Nd:GdNbO4 laser was investigated when the waist radius of pump beam, the transmission of output coupler and the length of laser resonator were considered. The highest output power of 2.76 W and the corresponding slope efficiency of 49.1%, to the best of our knowledge, were obtained under the conditions of cavity length of 30 mm, pump beam of 320 μm and output coupler's transmission of 10%.
Differences in immunophenotypes between myasthenia gravis patients with and without thyroid antibodies
Authors: Zhang Qing , Bi Zhuajin , Yang Mengge , Gui Mengcui , Bu Bitao 
Published: February 2022

AbstractIntroduction/AimsImmunophenotypes are related to the therapeutic efficacy of specific immunomodulating agents in patients with myasthenia gravis (MG), but the relationship of immunophenotype to the presence or absence of thyroid antibodies is unknown. This study aims to evaluate differences in the immunophenotypes between MG patients with and without thyroid antibody (TAb) positivity to provide insight for future targeted immunotherapies.MethodsThis retrospective observational study included 48 MG patients with acetylcholine receptor antibody (AchR‐Ab), of which 15 (31.25%) were TAb positive. Ocular MG (OMG) was defined as ocular‐only manifestations for the duration for which records were available. Peripheral lymphocyte subpopulations were measured by flow cytometry.ResultsTAb positive patients appeared to have a higher prevalence of OMG than TAb negative patients (53.33% vs. 24.24%, p  = .048). Percentages of B cells (mean difference (MD) = 6.16, 95% confidence interval (CI): 1.91–10.40, p = .007) and CD8 + CD28+ cells (MD = 15.14, 95%CI: 5.17–25.11, p  = .013) were higher in TAb positive patients than those in TAb negative patients, while AChR‐Ab titers (MD = −6.49 nmol/L, 95%CI: −9.29 to −3.70, p  < .001), percentages of T cells (MD = −6.43, 95%CI: −11.92 to −0.94, p = .023), CD3 + HLA‐DR+ cells (MD = −6.47, 95%CI: −12.31 to −0.63, p  = .031) and CD8+ T cells (MD = −6.60, 95%CI: −9.86 to −3.34, p < .001) were lower.DiscussionThe immunophenotypes of MG patients with and without TAb positivity were significantly different, suggesting that their sensitivity to immunotherapy may be different. Further studies focused on differences between TAb positive and TAb negative MG patients in their responses to specific immunotherapies are needed to support our exploratory findings.
Lifelong smoking status, weight gain, and subsequent risk of major adverse cardiovascular events: Long‐term follow‐up of a middle‐aged Chinese population
Authors: Liang Lirong , Li Changwei , Liu Xiaoqing , Zhou Long , Chu Shuilian , Zhang Ruiyuan , Mai Jinzhuang , Westbrook Adrianna , Li Jiachen , Zhang Di , Zhao Liancheng , Wu Yangfeng 
Published: February 2022

AbstractObjectiveThe aim of this study was to explore the association of lifelong smoking status with risk of major adverse cardiovascular events (MACE) accounting for weight change in a Chinese cohort.MethodsThe cohort of the People’s Republic of China‐United States of America (PRC‐USA) Collaborative Study of Cardiovascular and Cardiopulmonary Epidemiology was established in 1983 to 1984, resurveyed during 1987 to 1988 and 1993 to 1994, and followed up to 2005. A total of 5,849 participants who survived in 1993 to 1994 were classified into never smokers, long‐term quitters, short‐term quitters, short‐term relapsers and new smokers, long‐term relapsers and new smokers, and persistent smokers according to the information on lifelong smoking status collected in all three surveys. The associations of lifelong smoking status with MACE in the subsequent 10 years were explored with Cox proportional hazards models.ResultsDuring a median follow‐up of 10.2 years, 694 participants had MACE. Compared with persistent smokers, the multivariable‐adjusted hazard ratio of developing MACE was 0.83 (95% CI: 0.61‐1.12) for short‐term quitters, 0.75 (95% CI: 0.54‐1.02) for long‐term quitters, and 0.68 (95% CI: 0.54‐0.85) for never smokers (ptrend = 0.001). In comparison, the hazard ratio was 1.03 (95% CI: 0.77‐1.35) for long‐term relapsers and new smokers and 0.78 (95% CI: 0.46‐1.22) for short‐term relapsers and new smokers (ptrend = 0.018). These associations were not significantly altered by further adjusting for weight change in the past 10 years.ConclusionsLifelong smoking status is significantly associated with risk of MACE. As time duration increased, health benefit to quitters would become close to that of never smokers, and harms to relapsers and new smokers would become close to that of persistent smokers.
Stokes Shift in Inorganic Lead Halide Perovskites: Current Status and Perspective
Authors: Gull Sehrish , Jamil M. Haris , Zhang Xiuwen , Kwok Hoi‐sing , Li Guijun 
Published: February 2022

AbstractInorganic metal halide perovskite system is considered as a promising candidate for applications from display to biomedical industry. Intrinsic inorganic lead halides possess small Stokes shift or self‐absorption, providing negative impact for both photo voltaic and biomedical applications. Therefore, the development of an inorganic halide perovskite system with large Stokes shift is a significant venture. This review aims to provide an updated survey of the Stokes shift phenomena in the inorganic lead halide perovskites. The first section focuses about the mechanism, the second section gives different approaches in preparing inorganic perovskites with distinct Stokes shift, while the third section highlights the potential applications in both photovoltaic and biomedical areas. This review provides deep insight about the importance and usefulness of such phenomena in inorganic lead halides, essential for various applications.
Prevalence of neuropathic pain in adolescents with sickle cell disease: A single‐center experience
Authors: Cregan Melissa , Puri Latika , Kang Guolian , Anghelescu Doralina 
Published: February 2022

AbstractBackgroundNeuropathic pain (NP) has been previously explored in adolescents with sickle cell disease (SCD). This study aims to describe the prevalence of NP in adolescents with SCD at a single institution and to explore associated risk factors.ProcedureWe used the painDETECT questionnaire, one of the few pain phenotyping questionnaires validated for adolescents. We also evaluated the relationships between painDETECT scores and frequency of acute care visits and admissions for pain in the previous 12 months, and age, respectively. Patients 12–18 years old were surveyed from June to July 2019. A retrospective approach was used to answer the remaining research questions.ResultsEighty‐one and seven surveys were completed in the outpatient and inpatient settings, respectively. PainDETECT scores suggestive of NP were more prevalent in inpatient surveys than in outpatient surveys. The difference between the mean painDETECT scores of each group was significant when using a general linear mixed model. Most inpatients surveyed had ≥3 pain events in the previous 12 months. Further, older age and increased number of pain events in the previous 12 months were independently associated with higher painDETECT scores.ConclusionsOverall, in our opinion, NP is not being evaluated for and treated sufficiently in pediatric SCD, especially in the setting of inpatient acute vaso‐occlusive crisis. Age and number of acute pain events/admissions in the previous 12 months can be used to identify patients likely to be at risk for NP. It is important to continue to identify NP and develop NP‐targeting treatment plans.
A short peptide derived from zebrafish AP‐2 complex subunit mu‐A AP2M1A354–382 has antimicrobial activity against multi‐drug resistant bacteria
Authors: Gong Yi , Li Haoyi , Wu Fei , Zhang Xiangmin , Zhou Yucong , Zhang Shicui 
Published: February 2022

AbstractOur previous study shows that the peptide consisting of 29 residues at positions 354–382 of zebrafish AP‐2 complex subunit mu‐A is an antimicrobial peptide (AMP) capable of inhibiting the growth of Escherichia coli and Staphylococcus aureus. Sequence analysis revealed that the N‐terminal 10 amino acids (designated AP10) of the peptide were highly conserved from nematode to humans. On this basis, we designed two AP10 analogs, AP10R and AP10W, by substituting the amino acids at selected positions of AP10 with tryptophan (W), isoleucine (I), and arginine (R). Both AP10 and AP10R as well as AP10W were found to possess the common features of AMPs: a high hydrophobic ratio, a net positive charge, and amphipathicity. Antibacterial activity assay showed that AP10W exhibited the strongest antimicrobial activity against Gram‐negative and Gram‐positive bacteria including MDR bacteria (with MICs ranging from 20 to 25 μg/ml) among the three peptides. In addition, AP10W was able to bind to lipopolysaccharide (LPS), lipoteichoic acid (LTA), and peptidoglycan (PGN), cause depolarization of the bacterial plasma membrane, and stimulate intracellular reactive oxygen species (ROS) production, suggesting it executes antibacterial activity by a combined action of destabilization/destruction of bacterial cell wall through interaction with LPS, LTA, and PGN, disturbance of the usually polarized membrane through depolarization, and apoptosis/necrosis through intracellular ROS production. Importantly, AP10W is not toxic to mammalian cells, and shows tolerance to serum, salt, and pH variation though it is heat labile. These together suggest that AP10W is a promising template for future development of novel peptide antibiotics against MDR bacteria.