bluuebunny/crossref_metadata_2025_split huggingface dataset:
Promoting health equity in pharmacy postgraduate training programs: A call to action for clinical pharmacists
Authors: Teklu Yodit , Monangai Kathy E. , Abdul‐Mutakabbir Jacinda C. , Gosser Rena A. 
Published: October 2022

AbstractShortages of primary care providers across the United States have exacerbated health disparities, particularly for marginalized groups. As one of the most accessible healthcare professionals in the United States, pharmacists are well‐positioned to help address health disparities. Addressing health inequities is an Accreditation Council for Pharmacy Education requirement in pharmacy school curricula, however, there is currently no standardized requirement to incorporate these principles into postgraduate pharmacy residency or fellowship training. A PubMed search was conducted to explore examples of health equity inclusion within postgraduate training for pharmacy and similar healthcare disciplines, as well as identify best practices. As limited models—pertaining to pharmacy postgraduate training programs—were available, this endeavor aims to provide recommendations for the successful implementation of health equity education into didactic and experiential learning opportunities.
Advancing molecular graphs with descriptors for the prediction of chemical reaction yields
Authors: Yarish Dzvenymyra , Garkot Sofiya , Grygorenko Oleksandr O. , Radchenko Dmytro S. , Moroz Yurii S. , Gurbych Oleksandr 
Published: October 2022

AbstractChemical yield is the percentage of the reactants converted to the desired products. Chemists use predictive algorithms to select high‐yielding reactions and score synthesis routes, saving time and reagents. This study suggests a novel graph neural network architecture for chemical yield prediction. The network combines structural information about participants of the transformation as well as molecular and reaction‐level descriptors. It works with incomplete chemical reactions and generates reactants‐product atom mapping. We show that the network benefits from advanced information by comparing it with several machine learning models and molecular representations. Models included logistic regression, support vector machine, CatBoost, and Bidirectional Encoder Representations from Transformers. Molecular representations included extended‐connectivity fingerprints, Morgan fingerprints, SMILESVec embeddings, and textual. Classification and regression objectives were assessed for each model and feature set. The goal of each classification model was to separate zero‐ and non‐zero‐yielding reactions. The models were trained and evaluated on a proprietary dataset of 10 reaction types. Also, the models were benchmarked on two public single reaction type datasets. The study was supplemented with analysis of data, results, and errors, as well as the impact of steric factors, side reactions, isolation, and purification efficiency. The supplementary code is available athttps://github.com/SoftServeInc/yield-paper.
Comparison of Clinical Effectiveness Between Ambroxol and N‐Acetylcysteine in Surgical Patients: A Retrospective Cohort Study
Authors: Bian Jiaming , Liang Hong , Zhang Mei 
Published: October 2022

AbstractPostoperative pulmonary complications (PPCs) are a major cause of postoperative morbidity, mortality, and longer hospital stays. Expectorants are widely used during the perioperative period to reduce PPCs. This study aimed to compare the clinical effectiveness between ambroxol (AMB) and N‐acetylcysteine (NAC) in patients undergoing surgery. A multicenter, retrospective cohort study was conducted using deidentified medical records from hospital information system. Between July 1, 2015, and November 30, 2017, patients aged ≥18 years, who received intravenous AMB or nebulized NAC as the only expectorant therapy for >3 days during their hospitalization for thoracic, abdominal, and neurosurgery, were included in this study. The clinical outcomes were evaluated, and propensity score matching was used to adjust significant differences between 2 groups. A total of 4025 cases in the AMB group and 2062 in NAC group after propensity score matching were identified. The incidence of PPCs (13.9% vs 11.6%; P = .013), postoperative sputum suction (17.2% vs 8.0%; P < .001), intensive care unit admission after surgery (25.1% vs 22.5%; P = .024), and postoperative mechanical ventilation (22.3% versus 17.5%; P < .001) in the AMB group were all significantly higher than those in the NAC group. This study suggested that patients treated with NAC during the perioperative period had a significantly lower risk of PPCs. However, further prospective study is needed to ensure the replicability of our findings.
Modulation of cellular machineries by Zika virus‐encoded proteins
Authors: Dong Shupeng , Xiao Maggie Z. X. , Liang Qiming 
Published: October 2022

AbstractThe strain of Zika virus (ZIKV) that circulated during the 2015 epidemic in Brazil has been associated with more than 2000 cases of microcephaly from September 2015 through November 2016. The viral genome determines the biology and pathogenesis of a virus and the virus employs its own gene products to evade host immune surveillance, manipulate cellular machineries, and establish efficient replication. Therefore, understanding the functions of virus‐encoded protein not only aids the knowledge of ZIKV biology but also guides the development of anti‐ZIKV drugs. In this review, we focus on 10 proteins encoded by ZIKV and summarize their functions in ZIKV replication and pathogenesis according to studies published in the past 6 years.
Topological reorganization of brain network might contribute to the resilience of cognitive functioning in mildly disabled relapsing remitting multiple sclerosis
Authors: Has Silemek Arzu Ceylan , Nolte Guido , Pöttgen Jana , Engel Andreas K. , Heesen Christoph , Gold Stefan M. , Stellmann Jan‐Patrick 
Published: October 2022

AbstractMultiple sclerosis (MS) is an inflammatory and demyelinating disease which leads to impairment in several functional systems including cognition. Alteration of brain networks is linked to disability and its progression. However, results are mostly cross‐sectional and yet contradictory as putative adaptive and maladaptive mechanisms were found. Here, we aimed to explore longitudinal reorganization of brain networks over 2‐years by combining diffusion tensor imaging (DTI), resting‐state functional MRI (fMRI), magnetoencephalography (MEG), and a comprehensive neuropsychological‐battery. In 37 relapsing‐remitting MS (RRMS) and 39 healthy‐controls, cognition remained stable over‐time. We reconstructed network models based on the three modalities and analyzed connectivity in relation to the hierarchical topology and functional subnetworks. Network models were compared across modalities and in their association with cognition using linear‐mixed‐effect‐regression models. Loss of hub connectivity and global reduction was observed on a structural level over‐years (p < .010), which was similar for functional MEG‐networks but not for fMRI‐networks. Structural hub connectivity increased in controls (p = .044), suggesting a physiological mechanism of healthy aging. Despite a general loss in structural connectivity in RRMS, hub connectivity was preserved (p = .002) over‐time in default‐mode‐network (DMN). MEG‐networks were similar to DTI and weakly correlated with fMRI in MS (p < .050). Lower structural (β between .23–.33) and both lower (β between .40–.59) and higher functional connectivity (β = −.54) in DMN was associated with poorer performance in attention and memory in RRMS (p < .001). MEG‐networks involved no association with cognition. Here, cognitive stability despite ongoing neurodegeneration might indicate a resilience mechanism of DMN hubs mimicking a physiological reorganization observed in healthy aging.
Evaluating the predictive utility of patient‐oriented scoring of atopic dermatitis (PO‐SCORAD) versus Patient‐Oriented Eczema Measure (POEM) for peanut sensitivity in patients with atopic dermatitis
Authors: Bilimoria Sara , Lee Kachiu , Lio Peter 
Published: October 2022

AbstractBackgroundCurrent Guidelines from the National Institute of Allergy and Infectious Disease (NIAID) are based on the Learning Early About Peanut Allergy Study (LEAP Study) results and recommend early introduction of peanuts to children with atopic dermatitis (AD) depending on their disease severity. There is yet to be a widely accepted method of evaluating AD severity among clinicians. Thus, the purpose of this study was to determine the association between AD severity as measured by patient‐oriented scoring of atopic dermatitis(PO‐SCORAD) and Patient Oriented Eczema Measure (POEM) surveys and peanut sensitivity as measured by Immunoglobulin E (IgE) or skin prick test levels.ObjectivesThe primary objective of this study was to determine the association between AD severity as measured by PO‐SCORAD and POEM surveys and peanut sensitivity as measured by IgE or skin prick test levels. The secondary objective of this study was to determine the rate of peanut sensitisation amongst patients with ‘mild AD’ as defined by PO‐SCORAD score of 1−27 and a POEM score of 0‐7.MethodsPatients between 3 months and 18 years old undergoing IgE or skin prick testing for peanut allergy were recruited from two allergy clinics in the Chicagoland area. Patients or their guardians completed a PO‐SCORAD survey and POEM survey.ResultsThere was no significant difference in AD severity (as measured by PO‐SCORAD or POEM score) between sexes or age groups (<12 months vs. ≥12 months). Moreover, there was no significant relationship found between PO‐SCORAD or POEM scores and rate of peanut sensitivity.ConclusionDespite no significant relationship found between PO‐SCORAD or POEM score and peanut sensitivity, the hypothesis that AD severity can predict risk of peanut sensitivity may still be valid based on a growing body of evidence. The negative results of this study are likely due to the small study population used due to limitations of the COVID‐19 pandemic. Moreover, evaluating AD severity through PO‐SCORAD and POEM surveys may not be ideal for paediatric patients.
Deterministic processes drive national‐scale patterns in lake surface sediment bacteria and eukaryotic assemblage composition
Authors: Pearman John K. , Adamson Janet , Thomson‐Laing Georgia , Thompson Lucy , Waters Sean , Vandergoes Marcus J. , Howarth Jamie D. , Wood Susanna A. 
Published: October 2022

AbstractBiological communities within lake surface sediments play a vital role in biogeochemical cycling and ecosystem services. Knowledge on abundance‐occupancy patterns and assembly processes across large spatial scales and over multiple environmental gradients is limited, yet essential to aid in protection and restoration. In the present study, surface sediment samples were collected from 296 lakes across a wide spatial scale and covering multiple interacting environmental gradients including size, depth, altitude, and trophic state. A suite of physicochemical parameters were used to characterize the environmental conditions and bacterial and eukaryotic assemblages were determined using16Sand18S rRNAmetabarcoding. The majority (~ 55%) of amplicon sequence variants were only found in a single lake with eukaryotes having a more restricted distribution than bacteria. Deterministic processes were inferred to be dominant for both bacteria (78%) and eukaryotes (51%), with variable selection being especially important for bacteria (49%). Variation partitioning indicated that land use in the catchment, which is strongly related to trophic state, was the most important environmental factor in explaining the assemblage composition. This nationwide study across broad gradients provides new insights into the ecology of bacteria and eukaryotes in lake surface sediments and a platform to better understand the effects of multiple environmental stressors on lake sediment assemblages.
Spin Hall Effect of Light: From Fundamentals To Recent Advancements
Authors: Kim Minkyung , Yang Younghwan , Lee Dasol , Kim Yeseul , Kim Hongyoon , Rho Junsuk 
Published: October 2022

AbstractThe spin Hall effect of light (SHEL) is the microscopic splitting of light into two circular polarizations at the optical interface along the perpendicular direction. With the advent of metamaterials/metasurfaces and their fast‐developing applications, the SHEL has been garnering significant scientific interest. Here, the principle and recent developments in SHEL research is reviewed. A theoretical description of the SHEL is provided, including the formalism and general techniques. Also, recent studies on and applications of the SHEL are extensively reviewed, including the enhancement of the spin Hall shift and efficiency, implementation of dynamic tunability, elimination of polarization dependence, and precision measurements. The review is concluded with a discussion on the future direction and prospects of the SHEL.
Linear Relationship between Mean‐Square Radius of Gyration and Graph Diameter, and Its Application to Network Polymers
Authors: Tobita Hidetaka 
Published: October 2022

AbstractMean‐square radius of gyration Rg2 and the graph diameter D of the random crosslinked network polymers are investigated to find a linear relationship, Rg2 = a D. The proportionality coefficient, a is dominated by the cycle (circuit) rank, or the number of intramolecular crosslinks kc, and a convenient equation is proposed for the relationship between a and kc. This relationship makes it possible to estimate Rg2 based on D and kc, which can reduce the required computational time to determine the Rg2‐values greatly. This new method is applied to find that the contraction factor g decreases with kc, and the differences in the primary chain length distribution that constitute the network polymers vanish for large kc‐values.
Life History Assessment of Cusk, a Data Poor Species, in U.S. Waters
Authors: McElroy W. David , Tholke Emilee K. , Wuenschel Mark J. , Robillard Eric 
Published: October 2022

Abstract
Cusk Brosme brosme are fished across the northern Atlantic Ocean, but even basic biological data are limited in part by their difficult to sample deep and structured habitats. We sampled fish from a variety of sources across the Gulf of Maine to provide comprehensive life history information (age and size at maturity, fecundity, sex ratio, growth) for this data poor species considered by National Oceanic and Atmospheric Administration Fisheries as a species of concern. Gonad histology and gonadosomatic index data indicated peak spawning in late spring (May–June), with limited spawning activity into summer. The histologically derived length at 50% maturity for female Cusk was 39.5 cm TL. Fecundity varied from a quarter million to four million oocytes, with a positive allometry versus size indicating that larger females have proportionally higher fecundity than smaller females. Male Cusk had unusually low gonadal investment for a gadiform, and males of all sizes examined (down to 21 cm) had spermatozoa present. Male maturity was equivocal even when the relative proportions of sperm stages were quantified through image analysis of gonad histology; further anatomical and physiological studies of small males are required to assess functional maturity in male cusk. The sex ratio at length indicated more males at larger sizes, and males had faster growth and larger size at age than females. Condition patterns also suggested lower condition for females than males after spawning and generally less variable condition for males. Gonadal investment, relative condition, and growth patterns all suggest differences in energy allocation between the sexes. This data poor species has an uncertain stock status in U.S. waters; therefore, the results of the current work provide important information to its management.
Thermal cycling of strained nickel‐coated glass‐epoxy composite laminates: Effects on macro mechanical and fiber‐matrix interface properties
Authors: Roy Rene , Shin Joon‐Hyung , Kweon Jin‐Hwe , Nam Young‐Woo 
Published: October 2022

AbstractNickel coating of reinforcing fibers via electroless plating can provide superior properties to polymer composites, particularly for radar stealth, although its effect on thermomechanical properties and thermal cycling response are relatively unverified. Thermal cycling of strained nickel‐coated glass fiber epoxy laminates was performed to evaluate its effect through in‐plane shear mechanical testing and fiber‐matrix interface region microscopic observations. Laminates were subjected to 4000 cycles of thermal conditioning (regular and strained). Subsequent in‐plane shear tensile tests revealed a ~10% increase in their ultimate shear strength, which was credited to polymer relaxation and increased plastic energy storage capacity. Atomic force microscopy in force modulation mode showed the most significant fiber‐matrix interface region changes for strained thermal cycled specimens, which we attribute to their higher stress during conditioning and plastic deformation. A relatively short fiber‐matrix interface region length was observed, which we attribute to the lower surface energy of Ni‐glass fiber. Thermomechanical analysis (TMA) revealed a glass‐transition temperature range of 71–110°C, and coefficients of thermal expansion (CTE) were evaluated for several laminate configurations.
Effect of cross‐linking on the mechanical properties, degree of crystallinity and thermal stability of polyethylene vitrimers
Authors: Montoya‐Ospina Maria Camila , Verhoogt Henk , Ordner Mark , Tan Xiao , Osswald Tim A. 
Published: October 2022

AbstractMaleic anhydride‐grafted‐polyethylene was dynamically cross‐linked via reactive melt blending with 4,4′‐dithiodianiline. Thermal and mechanical properties of polyethylene vitrimers with different cross‐linking density were investigated. The results indicate that the degree of crystallinity decreased with increasing cross‐linking density. This behavior was directly related to short‐term and long‐term mechanical properties: vitrimers showed a decrease in yield strength and creep performance. The yield strength of PE vitrimers decreased linearly in relation to the degree of crystallinity. Polarized optical microscopy revealed that the cross‐links inhibit the growth of spherulites structure in polyethylene vitrimers. Thermogravimetric analysis indicated an increase in the onset degradation temperature and decomposition rate for vitrimers with increased cross‐linking density. The stiffness of the vitrimers decreased with increasing cross‐linking density which led to higher damping properties. Finally, it was demonstrated that reprocessing of polyethylene vitrimer was possible without significant impact in mechanical properties.
Migration of Energetic Plasticizer in Advanced Energetic Composite Propellant Grains
Authors: Kumar Amit , Chavan Prakash V. , Bhatkhande Dhananjay S. , Sadavarte Vaibhav S. , Santosh Mada S. S. N. M. , Pande Shrikant M. 
Published: October 2022

AbstractStudies on the migration of nitrate ester plasticizers from advanced energetic nitrate ester plasticized polyester polyol (NEPE) propellants stored at 27o and 55 °C using HPLC showed that the nitrate ester content is depleting from the bulk of the propellant with time, upto 125 weeks, till equilibrium is reached. Diffussion coefficient for migration of nitrate ester estimated by Fick's 2nd law of diffusion reveals that the magnitude of estimated diffussion coefficient is high for the propellant sample stored at elevated temperature as compared to the samples stored at ambient condition, indicating the higher rate of plasticizer migration at high temperature. Also, the estimated diffussion coefficient for NG migration is higher than that for BTTN which is inline with its higher rate of migration. The diffussion coefficients have also been estimated by the tensile strength data of the stored propellants and its magnitude is marginally higher than the one estimated by the physical phenomenon of plasticizer migration as described by Fick's law. Hence it can be inferred that along with the post cure reaction, the plasticizer migration is also responsible for toughening of propellant during storage.
Plant jasmonic acid mediated contrasting effects of two citrus aphid species onDiaphorina citriKuwayama
Authors: Gao Jing , Tao TongLai , Arthurs Steven P. , Ye Fengxian , An Xincheng , Hussain Mubasher , Mao Runqian 
Published: October 2022

AbstractBackgroundHerbivores may influence each other directly and through plant mediated inter‐specific interactions. The Asian citrus psyllid (Diaphorina citriKuwayama) and citrus aphids are key pests that can co‐exist on citrus, but their plant‐mediated interaction between them is unknown. Here we investigated plant‐mediated effect of two citrus aphid species, the polyphagousAphis spiraecolaPatch and the oligophagousAphis(Toxoptera)citricidus(Kirkaldy) on the feeding behavior and reproduction ofDiaphorina citri, and explored the underlying mechanisms.ResultsIn comparison with those on aphid free plants,Diaphorina citrihad decreased reproduction and reduced phloem feeding onAphis spiraecolapre‐infested plants, while the reproduction and feeding efficiency were increased onAphis citriciduspre‐infested plants. Jasmonic acid (JA) dependent defense was significantly activated byDiaphorina citrifeeding onAphis spiraecolapre‐infested plants, but was suppressed byDiaphorina citrifeeding onAphis citriciduspre‐infested plants compared with that on aphid free plant. By contrast, only one tested marker gene in salicylic acid (SA) signaling was activated byDiaphorina citrifeeding onAphis spiraecolapre‐infested plants. Furthermore, exogenous application of methyl jasmonate, but not SA, conferred resistance againstDiaphorina citriin our citrus trials.ConclusionOur results indicate that pre‐infestation by two citrus aphid species differentially alteredDiaphorina citriinduced citrus JA dependent defense, which resulted in different effect on subsequentDiaphorina citriperformance. © 2022 Society of Chemical Industry.
Electronic and optical properties of quaternary selenides for optoelectronic applications: Insights from DFT+U‐computations
Authors: Azam Sikandar , Imran Muhammad , Rahman Amin Ur , Nadeem Asif , Neffati Riadh 
Published: October 2022

AbstractThe optical properties, electronic charge density, electronic structure of the new layered selenides materials, BaGdCuSe3, CsUCuSe3, CsZrCuSe3, and CsGdZnSe3 compounds have been calculated by using the full potential and linear augmented plane wave (FP‐LAPW) methods as applied in the WIEN2k package, which is based on the density functional theory. The ALnMSe3 compound's structure of these was (A = Cs, Ba; Ln = Zr, Gd, U; M = Cu, Zn) is composed of (n = 1, 2) layers, which might be separated by A atoms. It is to be observed that there is strong hybridization between the s, p, and d states of Zr, Gd, and Cu atoms. Around the gadolinium atom, the charge density contours are completely circular, but the Gadolinium “Gd” atom shows an ionic nature. To calculate the refractive index, we used Kramer's Kronig correlations with the imaginary part dielectric function. The decrease in the refractive index is due to the lack of probability for direct excitation of the electrons, resulting in a loss of energy. The value of the static refractive index for all reference compounds is about 1.75–2.25, which is indication that the material used in optoelectronic devices.