bluuebunny/crossref_metadata_2025 huggingface dataset:
Alzheimer's disease medication use and adherence patterns by race and ethnicity
Authors: Olchanski Natalia , Daly Allan T. , Zhu Yingying , Breslau Rachel , Cohen Joshua T. , Neumann Peter J. , Faul Jessica D. , Fillit Howard M. , Freund Karen M. , Lin Pei‐Jung
Published: August 2022

Background

We examined racial and ethnic differences in medication use for a representative US population of patients with Alzheimer's disease and related dementias (ADRD).

Methods

We examined cholinesterase inhibitors and memantine initiation, non‐adherence, and discontinuation by race and ethnicity, using data from the 2000–2016 Health and Retirement Study linked with Medicare and Medicaid claims.

Results

Among newly diagnosed ADRD patients (n = 1299), 26% filled an ADRD prescription ≤90 days and 36% ≤365 days after diagnosis. Among individuals initiating ADRD‐targeted treatment (n = 1343), 44% were non‐adherent and 24% discontinued the medication during the year after treatment initiation. Non‐Hispanic Blacks were more likely than Whites to not adhere to ADRD medication therapy (odds ratio: 1.50 [95% confidence interval: 1.07–2.09]).

Discussion

Initiation of ADRD‐targeted medications did not vary by ethnoracial group, but non‐Hispanic Blacks had lower adherence than Whites. ADRD medication non‐adherence and discontinuation were substantial and may relate to cost and access to care.

HIGHLIGHTS

Initiation of anti‐dementia medications among newly diagnosed Alzheimer's disease and related dementias (ADRD) patients was low in all ethnoracial groups.

ADRD medication non‐adherence and discontinuation were substantial and may relate to cost and access to care.

Compared to Whites, Blacks and Hispanics had lower use, poorer treatment adherence, and more frequent discontinuation of ADRD medication, but when controlling for disease severity and socioeconomic factors, racial disparities diminish.

Our findings demonstrate the importance of adjusting for socioeconomic characteristics and disease severity when studying medication use and adherence in ADRD patients.
Atropopeptides are a Novel Family of Ribosomally Synthesized and Posttranslationally Modified Peptides with a Complex Molecular Shape
Authors: Nanudorn Pakjira , Thiengmag Sirinthra , Biermann Friederike , Erkoc Pelin , Dirnberger Sabrina D. , Phan Thao N. , Fürst Robert , Ueoka Reiko , Helfrich Eric J. N.
Published: August 2022

Biomacromolecules are known to feature complex three‐dimensional shapes that are essential for their function. Among natural products, ambiguous molecular shapes are a rare phenomenon. The hexapeptide tryptorubin A can adopt one of two unusual atropisomeric configurations. Initially hypothesized to be a non‐ribosomal peptide, we show that tryptorubin A is the first characterized member of a new family of ribosomally synthesized and posttranslationally modified peptides (RiPPs) that we named atropopeptides. The sole modifying enzyme encoded in the gene cluster, a cytochrome P450 monooxygenase, is responsible for the atropospecific formation of one carbon‐carbon and two carbon‐nitrogen bonds. The characterization of two additional atropopeptide biosynthetic pathways revealed a two‐step maturation process. Atropopeptides promote pro‐angiogenic cell functions as indicated by an increase in endothelial cell proliferation and undirected migration. Our study expands the biochemical space of RiPP‐modifying enzymes and paves the way towards the chemoenzymatic utilization of atropopeptide‐modifying P450s.
Total Synthesis of (+)‐Alstonlarsine A
Authors: Ferjancic Zorana , Kukuruzar Andrej , Bihelovic Filip
Published: August 2022

An enantioselective total synthesis of (+)‐alstonlarsine A (1), a monoterpenoid indole alkaloid possessing a unique pentacyclic skeleton as well as a rare biological activity, is achieved. The key step is an efficient domino sequence, comprising enamine formation followed by an inverse‐electron‐demand intramolecular dearomative Diels–Alder cycloaddition for the construction of 9‐azatricyclo[4.3.1.03,8]decane core. The key intermediate for this domino sequence was synthesized by a newly developed methodology, relying on indole C(2)‐H bond functionalization, combined with intramolecular Horner–Wadsworth–Emmons reaction. This tactical combination offers a new general entry into other (privileged) tricyclic frameworks possessing indole ring fused to 6‐, 7‐ or 8‐membered rings.
Azophenyl appended Schiff base probe for colorimetric detection of Cu2+ in semi‐aqueous medium and live cell imaging
Authors: Dev Samrat , Pandey Souvik , Maity Suvendu , Mitra Debarpan , Das Gaurav , Murmu Nabendu , Sinha Chittaranjan
Published: August 2022

A phenylazo appended ortho‐vanillin Schiff base scaffold (HAZ) has been used for selective colorimetric sensing of Cu2+ in semi‐aqueous medium (methanol–water, 1:1, v/v) in the presence of 16 cations and 20 anions, and the limit of detection is 1.8 × 10−7 M. The structures of HAZ and Cu (II) complex, [Cu(AZ)2], have been characterised by spectroscopic data (UV–Vis, Fourier transform infrared and electron paramagnetic resonance) and established by the single crystal X‐ray diffraction measurement. The Job's plot from the absorption studies has also confirmed the 1:2 stoichiometry of Cu2+:HAZ. The absorption spectrum of [Cu (AZ)2] has returned to the spectrum of HAZ on the addition of Na2EDTA solution which is again recovered upon the addition of Cu2+ solution. Discrete Fourier transform computations were carried out using the coordinates of the X‐ray structures of the compounds, and the molecular functions were used to correlate the solution spectroscopic properties. In addition to this, the probe is treated on MDA‐MB 231 breast cancer cells to check the cytotoxicity. The probe is used for the detection of trace quantity of Cu2+ in the cancer cell.
High‐dimensional feature selection in competing risks modeling: A stable approach using a split‐and‐merge ensemble algorithm
Authors: Sun Han , Wang Xiaofeng
Published: August 2022

Variable selection is critical in competing risks regression with high‐dimensional data. Although penalized variable selection methods and other machine learning‐based approaches have been developed, many of these methods often suffer from instability in practice. This paper proposes a novel method named Random Approximate Elastic Net (RAEN). Under the proportional subdistribution hazards model, RAEN provides a stable and generalizable solution to the large‐p‐small‐n variable selection problem for competing risks data. Our general framework allows the proposed algorithm to be applicable to other time‐to‐event regression models, including competing risks quantile regression and accelerated failure time models. We show that variable selection and parameter estimation improved markedly using the new computationally intensive algorithm through extensive simulations. A user‐friendly R package RAEN is developed for public use. We also apply our method to a cancer study to identify influential genes associated with the death or progression from bladder cancer.
Melatonin mediated activation of MAP kinase pathway may reduce DNA damage stress in plants: A review
Authors: Maity Sukhendu , Guchhait Rajkumar , Pramanick Kousik
Published: August 2022

Melatonin is an important biomolecule found in diverse groups of organisms. Under different abiotic stresses, the synthesis of melatonin is markedly increased suggesting pivotal roles of melatonin in plants enduring stresses. Being an endogenous signaling molecule with antioxidant activity, melatonin alters many physiological responses and is found to be involved in regulating DNA damage responses. However, the molecular mechanisms of melatonin in response to DNA damage have not yet been studied. The present review aims to provide insights into the molecular mechanisms of melatonin in response to DNA damage in plants. We propose that the MAP kinase pathway is involved in regulating melatonin dependent response of plants under DNA damage stress. Where melatonin might activate MAPK via H2O2 or Ca2+ dependent pathways. The activated MAPK in turn might phosphorylate and activate SOG1 and repressor type MYBs to mitigate DNA damage under abiotic stress.
A systematic review of randomized controlled trials on efficacy and safety of transcranial direct current stimulation in major neurodevelopmental disorders: ADHD, autism, and dyslexia
Authors: Salehinejad Mohammad Ali , Ghanavati Elham , Glinski Benedikt , Hallajian Amir‐Homayun , Azarkolah Anita
Published: August 2022

Objective

Among the target groups in child and adolescent psychiatry, transcranial direct current stimulation (tDCS) has been more applied in neurodevelopmental disorders specifically, attention‐deficit hyperactivity disorder (ADHD), autism spectrum disorder (ASD), and dyslexia. This systematic review aims to provide the latest update on published randomized‐controlled trials applying tDCS in these disorders for evaluating its efficacy and safety.

Methods

Based on a pre‐registered protocol (PROSPERO: CRD42022321430) and using the PRISMA approach, a literature search identified 35 randomized controlled trials investigating the effects of tDCS on children and adolescents with ADHD (n = 17), ASD (n = 11), and dyslexia (n = 7).

Results

In ADHD, prefrontal anodal tDCS is reported more effective compared to stimulation of the right inferior frontal gyrus. Similarly in ASD, prefrontal anodal tDCS was found effective for improving behavioral problems. In dyslexia, stimulating temporoparietal regions was the most common and effective protocol. In ASD and dyslexia, all tDCS studies found an improvement in at least one of the outcome variables while 64.7% of studies (11 of 17) in ADHD found a similar effect. About 88% of all tDCS studies with a multi‐session design in 3 disorders (16 of 18) reported a significant improvement in one or all outcome variables after the intervention. Randomized, double‐blind, controlled trials consisted of around 70.5%, 36.3%, and 57.1% of tDCS studies in ADHD, ASD, and dyslexia, respectively. tDCS was found safe with no reported serious side effects in 6587 sessions conducted on 745 children and adolescents across 35 studies.

Conclusion

tDCS was found safe and partially effective. For evaluation of clinical utility, larger randomized controlled trials with a double‐blind design and follow‐up measurements are required. Titration studies that systematically evaluate different stimulation intensities, duration, and electrode placement are lacking.
Main barrier to monitoring metabolism for patients: lack of resources
Authors: Knopf Alison
Published: August 2022

Metabolic monitoring for second‐generation antipsychotics (SGAs) is essential for the health of the patient, but providers don't always have the resources to do it, and parents sometimes oppose the blood tests.
Case report: Primary empty Sella causing secondary adrenal insufficiency and severe yet asymptomatic hyponatremia
Authors: Lah Siehoon , Wahab Almas , Wakil Ammar
Published: August 2022

A 61‐year‐old man presented with incidental hyponatraemia to 118 mmol/L, to which he was asymptomatic. Diagnostic workup revealed a partially empty sella turcica on magnetic resonance imaging. He had associated secondary adrenal insufficiency but other hormonal axes were relatively unaffected. Treatment with cortisol replacement promptly resolved the hyponatraemia.
Photo/Thermal Dual‐Activation Improves the Photocurrent of Bismuth Vanadate for PEC Water Splitting
Authors: Liu Cong , Wang Zhiqiang , Zhang Tao , Zhang Yazhou , Su Jinzhan
Published: August 2022

Making full use of the whole sunlight spectrum and developing photoanode with high performance are the two crucial challenges to realizing the industrial application of PEC water splitting. Thermal‐activation is an ideal way to realize the full use of the whole sunlight spectrum as the thermal energy is easily generated by the long wavelength sunlight. Photo‐activation is an effect way to enhance the PEC performance of BiVO4 through the synergistic effects of its bulk charge transfer and surface properties. In this work, the combining of thermal‐activation and photo‐activation (dual‐activation) was conducted on the BiVO4 photoanode to improve its photocurrent performance. The results indicate that the dual‐activation dramatically improved the photocurrent density of BiVO4 photoanode from 0.62 mA cm−2 to 1.32 mA cm−2 at 1.23 VRHE, and the improvement could be ascribed to the synergistic effects of Ddonor enhancement and diminished Fermi level pinning effect. Besides, the charge transfer process in the BiVO4 photoanode was also effectively facilitated by the dual‐activation.
Overseed timing of ryegrass and cereal rye in soybean affects rotational crops in upstate Missouri
Authors: Nelson Kelly A. , Belknap Renee A. , Brake Derek , Singh Gurbir
Published: August 2022

Overseeding may help farmers establish cover crops (CCs) in a relay intercropping system and avoid labor and time constraints during harvest while providing grazing opportunities for integrated crop–livestock systems. This research evaluated timings (overseeded at R6, R6.5, R7, R8, and post‐harvest) of cereal rye (CR; Secale cereale L.) and ryegrass (RG; Lolium multiflorum L.) CC plantings on soybean [Glycine max (L.) Merr.] yield, CC heights and dry mass in the spring, and the subsequent impact on rotational crop (corn [Zea mays L.] or soybean) yield compared with the absence of a CC (nonseeded control) and drill‐seeded CC treatments following soybean harvest. Soybean light interception (LI) during the overseeding timings differed between years which along with precipitation and temperature affected fall and spring growth of grass CCs. Earlier‐seeded CCs were generally taller and had greater dry mass than post‐harvest seedings, depending on the year. Conventional‐tilled soybean yields and the subsequent no‐till soybean crop following CCs were not affected when CCs were seeded at R6.5 or later. No‐till soybean yields were not affected by overseeded CCs when seeded at R6 or later; however, all CC seedings except post‐harvest overseeded CCs reduced corn yields 16–33 bu acre–1 compared with the nonseeded control. Overseeding is an option for farmers wanting to establish a CC, but risk to the intercropped and rotational crop yield occurs if seeded too early and can depend on the rotational crop.
Synthesis of 3‐Borylated Pyrrolidines by 1,3‐Dipolar Cycloaddition of Alkenyl Boronates and Azomethine Ylide
Authors: Liashuk Oleksandr S. , Ryzhov Ihor A. , Hryshchuk Oleksandr V. , Vashchenko Bohdan V. , Melnychuk Pavlo V. , Volovenko Yulian M. , Grygorenko Oleksandr O.
Published: August 2022

A scalable and efficient process for the preparation of 3‐borylated pyrrolidines by 1,3‐dipolar cycloaddition of N‐benzyl azomethine ylide generated in situ has been developed. The optimized method included the use of LiF in DMSO at 110 °C and was suitable for α‐mono‐, α,β‐di‐, and α,β,β‐trialkyl‐, β,β‐(hetera)cycloalkylidene‐, CO2Et‐, as well as most β‐(het)aryl‐substituted alkenyl boropinacolates. The 1,3‐dipolar reaction proceeded on a multigram scale providing 3‐borylated pyrrolidines with diverse substitution patterns (including fused and spirocyclic ones) in a diastereoselective manner. The Pd(OH)2‐mediated N‐debenzylation of pyrrolidine hydrochlorides was successfully performed to give the corresponding bifunctional building blocks on an up to 130 g scale, thus providing a substantial expansion of the synthetic and medicinal chemist's toolbox. Other reactions included the preparation of trifluoroborates, Zweifel‐Aggarwal sp3‐sp2 coupling, and oxidative deborylation as an example of C‐heteroatom bond formation.
Sex disparities in cancer: An ongoing quest
Authors: Luo Jingqin R. , Colditz Graham A.
Published: August 2022

Sex disparities remain after accounting for lifestyle risk factors. Sex as a biologic variable requires further study.
Application of rough set theory and machine learning algorithms in predicting accident outcomes in the Indian petroleum industry
Authors: Gangadhari Rajan Kumar , Khanzode Vivek , Murthy Shankar
Published: August 2022

Recent advancements in machine learning techniques are helping researchers to develop predictive models that assist decision‐makers to get a quick, unbiased overview of the processes. But studies using machine learning approaches in analyzing and classifying the injury narratives of the petroleum industries are still in their early stages due to data unavailability and lack of trust in these models. Comparatively, other industries such as construction, manufacturing, aviation and so forth are using the findings from the predictive models but the use of machine learning techniques in analyzing petroleum industry accident data is not gaining much importance. This study aims to use available accident data from the Indian petroleum industry to develop a classification model for predicting possible outcomes of an accident. The data used in this study comprises 194 accident reports with 20 information attributes collected during the 2016–20 period. Six different machine learning algorithms are used to analyze and classify the possible outcome of the accident. It has been found that the Xgboost algorithm has achieved 95% accuracy following multilayer perceptron with 94% accuracy. The rough set theory is also used to extract the indiscernibility relationship between the given attributes causing accident occurrence. The results indicate that “skill‐based error, supervisory violation, no personal protective equipment usage, and lack of standard operating procedure compliance” have contributed to the majority of the accidents. The findings of this study can be used to assist safety professionals in decision‐making, mitigating the root causes of contributing factors.
The Use of Precision‐Cut Lung Slices for Studying Innate Immunity to Viral Infections
Authors: Michalaki Christina , Dean Charlotte , Johansson Cecilia
Published: August 2022

Precision‐cut lung slices (PCLS) are a novel tool to study cells of the lower airways. As PCLS retain the integrity and architecture of the lung, they constitute a robust model for studying the cells of the lower respiratory tract. Use of PCLS for imaging has been previously documented; however, other applications and techniques can also be applied to PCLS to increase their use and therefore decrease the number of animals needed for each experiment. We present a detailed protocol for generating PCLS from the murine lung. We show that cultured PCLS remain viable up to at least 8 days of culture, that RNA can be isolated from the tissue, and that flow cytometry can be carried out on the cells obtained from the PCLS. Furthermore, we demonstrate that cytokines and chemokines can be detected in the culture supernatants of PCLS exposed to viruses. Overall, these protocols expand the use of PCLS, especially for infection studies. © 2022 The Authors. Current Protocols published by Wiley Periodicals LLC.

Basic Protocol 1: Precision‐cut lung slices (PCLS)

Basic Protocol 2: PCLS culture and viability

Basic Protocol 3: RNA isolation from PCLS, cDNA conversion, and RT‐qPCR

Basic Protocol 4: Staining of cells from PCLS for flow cytometry

Basic Protocol 5: In vivo RSV administration and ex vivo PCLS RSV exposure
Cervicovaginal cytology, HPV testing and vaginal flora in transmasculine persons receiving testosterone
Authors: Lin Lawrence Hsu , Zhou Fang , Elishaev Esther , Khader Samer , Hernandez Andrea , Marcus Alan , Adler Esther
Published: August 2022

Background

Testosterone is one of the strategies that transmasculine persons can elect in order to align physical traits to their gender identity. Previous studies have shown morphologic changes in the genital tract associated with testosterone. Here, we aim to evaluate cervicovaginal cytology specimens (Pap tests) and high‐risk HPV (HR‐HPV) testing from transmasculine individuals receiving testosterone.

Methods

This is a retrospective cohort of 61 transmasculine individuals receiving testosterone from 2013 to 2021. Cytologic diagnoses from 65 Pap tests were correlated with HPV status and histologic follow‐up and compared with the institutional data and a cohort of cisgender women with atrophic changes.

Results

The median age was 28 years and median time of testosterone use was 3 years. Transmasculine persons showed significantly higher rates of HSIL (2%) and unsatisfactory (16%) when compared with the institutional data and atrophic cohort of cisgender women. After reviewing slides of 46 cases, additional findings were noted: atrophy was present in 87%, glycogenated cells were seen in 30%, and Lactobacilli were substantially decreased in 89%. Among 32 available HPV tests, 19% were positive for HR‐HPV and 81% were negative. On histologic follow‐up, all HR‐HPV‐positive cases with abnormal cytology showed HSIL, while none of the HPV‐negative cases revealed HSIL.

Conclusion

Our study cohort demonstrated a high percentage of abnormal Pap tests in transmasculine persons receiving testosterone. Testosterone seems to induce changes in squamous cells and shifts in vaginal flora. HR‐HPV testing can be a useful adjunct in the workup of abnormal Pap tests from transmasculine individuals.
Root hemiparasitic plants are associated with more even communities across North America
Authors: Hodžić Jasna , Pearse Ian , Beaury Evelyn M. , Corbin Jeffrey D. , Bakker Jonathan D.
Published: August 2022

Root hemiparasitic plants both compete with and extract resources from host plants. By reducing the abundance of dominant plants and releasing subordinates from competitive exclusion, they can have an outsized impact on plant communities. Most research on the ecological role of hemiparasites is manipulative and focuses on a small number of hemiparasitic taxa. Here, we ask whether patterns in natural plant communities match the expectation that hemiparasites affect the structure of plant communities. Our data were collected on 129 national park units spanning the continental United States. The most common hemiparasite genera were Pedicularis, Castilleja, Krameria, and Comandra. We used null models and linear mixed models to determine whether hemiparasites were associated with changes in community richness and evenness. Hemiparasite presence did not affect community metrics. Hemiparasite abundance was positively associated with increasing evenness of herbaceous species, but not with species richness. The associations that we observed on a continental scale are consistent with evidence that the impacts of root hemiparasitic plants on evenness can be substantial and abundance dependent but that effects on richness are less pronounced. Hemiparasites mediate competitive exclusion in communities to facilitate species coexistence and merit consideration of inclusion in ecological theories of coexistence.
Octylamine‐Supporting Interlayer Expanded Molybdenum Diselenide as a High‐Power Cathode for Rechargeable Mg Batteries
Authors: Chen Dong , Ren Xin , Li Ting , Chen Zhongxue , Cao Yuliang , Xu Fei
Published: August 2022

Rechargeable Mg batteries (RMBs) are a promising large‐scale energy‐storage technology with low cost and high safety, but the performance is limited by the inferior kinetics of Mg‐intercalation cathodes. In the present study, an octylamine‐supporting interlayer expanded molybdenum diselenide (e‐MoSe2) is synthesized and used as cathode for RMBs, in comparison with ordinary crystalline MoSe2. The octylamine molecules introduced show a strong interaction with the MoSe2 layers and increase the layer spacing significantly from 6.46 to 11.5 Å. e‐MoSe2 shows a high Mg‐storage capacity of 238 mAh g−1 at 50 mA g−1 and a superior rate performance of 39 mAh g−1 at 10 A g−1, far advantageous over crystalline MoSe2. e‐MoSe2 also shows a considerably high structure stability during repeated magnesiation/demagnesiation, providing an outstanding cycling stability for 1000 cycles. Further electrochemical tests demonstrate the high Mg2+ diffusion coefficients in e‐MoSe2. Theoretical computation indicates the interlayer expansion changes the Mg2+ diffusion paths from “hollow site → hollow site” to “hollow site → Se atom site → hollow site”, largely decreasing the energy barrier and improving the Mg2+ diffusion kinetics. The present work highlights an efficient strategy for the improvement of Mg‐storage performance for RMB cathodes.
Data‐driven probabilistic curvature capacity modeling of circular RC columns facilitating seismic fragility analyses of highway bridges
Authors: Wang Xiaowei , Yuan Xinzhe , Feng Ruiwei , Dong You
Published: August 2022

The availability of reliable probabilistic capacity models of reinforced concrete (RC) columns is a cornerstone for high‐confidence seismic fragility and risk analyses of highway bridges. Existing studies often perform physics‐based pushover or moment–curvature analyses for the capacity modeling of RC columns, which may encounter nonconvergent problems under high levels of nonlinearities in structural material constitutive models and elements, and become computationally inefficient especially when the analysis model contains plenty of cases involving multisource uncertainties. To mitigate the nonconvergent issues as well as release the computational burden of RC column capacity estimates, this study explores the potency of artificial neural network for data‐driven probabilistic curvature capacity modeling of circular RC columns, which can facilitate seismic fragility assessment of highway bridges. To this end, a large database is developed by fiber‐section‐based moment–curvature analyses covering major ranges of concrete and steel strengths, reinforcement ratios, vertical loads, and geometries of RC columns in engineering practices. To obtain an accurate data‐driven model, a fivefold cross‐validation training and test process is performed to optimize the neural network architecture. The optimized neural network leads to a reliable data‐driven model for estimating multilevel curvature capacity indices with percentage errors less than 15%. Finally, a typical highway bridge is taken as a case study to demonstrate the applicability of the developed data‐driven capacity model for the expediency of seismic fragility analysis. For ease of implementation, the database and associated codes are available at https://bit.ly/3A1dh1V.
A seismic emergency performance optimization model for infrastructure systems under demand differences: A case study in China
Authors: Zhao Zeyu , Pan Shengjie , Li Nan , Li Zaishang , Zhao Chen , Xu Zhen , Fang Dongping
Published: August 2022

Infrastructure systems play a crucial role in ensuring the safety of cities and the well‐being of residents after earthquakes. Meanwhile, infrastructure systems are vulnerable to earthquakes and may fail to provide necessary services, highlighting the significant need to improve seismic emergency performance. Nevertheless, the seismic emergency performance of infrastructure systems still lacks effective enhancement strategies and optimization models, which makes it challenging to devise and benchmark appropriate emergency enhancement actions. This study proposes an emergency performance optimization model for infrastructure systems against earthquakes. The model aims at maximizing the effects of resistance actions and short‐term recovery actions on infrastructure systems with consideration of residents' expectations of infrastructure performance after earthquakes. The efficacy of the proposed model is tested by a case study in China. Experiments and results illustrate advantages of the seismic emergency performance optimization and prioritize resistance and short‐term recovery activities within constraints set by available resources.
Hybrid Quinoline Telluroether Ligand Derived Copper and Silver Complexes: Synthesis, Structural and Electronic Properties
Authors: Raju Saravanan , Singh Harkesh B. , Kumar Sangit
Published: August 2022

The tetradentate organotelluroether (C9H6NTe)2CH2 ligand has been synthesized and its coordination behaviour with a stoichiometric amount of copper(II) and silver(I) perchlorate and triflate salts has been experimentally investigated. The isolated ligand and metal complexes are characterized by multinuclear (1H, 13C, 125Te) NMR spectroscopy, single crystal X‐ray diffraction, and DFT calculations. The X‐ray analysis revealed the formation of self‐assembled bimetallic complexes with the molecular formula of 2[M(C9H6NTe)2CH2]+ X− [M+=Cu, Ag; X−=ClO4, CF3SO3]. Further, it has been noticed that the metal ions act as a bridging unit to form cationic 8‐membered metallamacrocycles in the chair conformation. The atoms in molecule (AIM) and non‐covalent interactions (NCI) analysis display a weak intramolecular Te⋅⋅⋅Te interaction. Natural bond orbital (NBO) calculations suggest that the tellurium has a rich electron donating ability toward metal ions than the quinoline nitrogen in the complexes.
Coordination Chemistry of Main Group Metals with Organic Isocyanides
Authors: Mukhopadhyay Sayantan , Patro A Ganesh , Vadavi Ramesh S. , Nembenna Sharanappa
Published: August 2022

This review deals with advances in the chemistry of organic isocyanide complexes of the main group metals. Isocyanides acting as functional groups show a great dichotomy between nucleophilic and electrophilic characters, which diversifies the course of different multicomponent reactions. The carbon and nitrogen centers can serve as the donor atom in different metal isocyanide frameworks. Along with the variation in ligation properties and different coordination modes, the metalated isocyanides emerge as a well‐established organometallic system with an effective synergistic mechanism, making them chemically and synthetically significant to chemists. However, the linear arrangement of the M−C=N−R induces the formation of multinuclear isocyanide complexes of good thermal stability, which draws the metalated isocyanides into the focal point of advanced reactivity and catalytic studies. A thorough literature survey on molecular main group metal complexes with organic isocyanides has been provided.
Computational Comparison of the Stability of Iminium Ions and Salts from Enals and Pyrrolidine Derivatives (Aminocatalysts)
Authors: Costa Anna M. , Castro‐Alvarez Alejandro , Fillot Daniel , Vilarrasa Jaume
Published: August 2022

The energies of CH2=CH−CH=N+R2+HNR*2→CH2=CH−CH=N+R*2+HNR2 reactions (exchange of propenal between two secondary amines) and of similar equilibria with cinnamaldehyde have been calculated and compared. Iminium ions from pyrrolidines with substituents that can help stabilize the positive charge are especially stable in the gas phase, as expected, whereas in very polar solvents the predicted order of stability (of their iminium ions) is: O‐tert‐butyldiphenylsilylprolinol>pyrrolidine>O‐methylprolinol>2‐tert‐butylpyrrolidine>Jørgensen‐Hayashi catalyst>2‐tritylpyrrolidine>N,N‐dimethylprolinamide>trimethylsilyl prolinate>3‐triflamidopyrrolidine>methyl prolinate≫MacMillan‐1 catalyst>MacMillan‐2 catalyst. When ion pairs such as iminium tetrafluoroborates, in CHCl3, are compared, the order is similar. These data can be used to predict which iminium salts may predominate when two or more secondary amines and appropriate acids are added to conjugated carbonyl compounds.
Thermodynamic and economic analysis of a novel gravity‐enhanced compressed air energy storage system
Authors: Zhang Xuelin , Xue Xiaodai , Zhang Tong , Xie Ningning , Wang Yazhou , Ma Linrui , Wang Guohua , Mei Shengwei , Wen Jun , Gong Linghui
Published: August 2022

In this paper, a novel energy storage technology of a gravity‐enhanced compressed air energy storage system is proposed for the first time, aiming to support the rapid growth of solar and wind capacity. With air storage formed by the shaft well, gravity piston, and seal membrane, the proposed system could achieve constant operating pressure, high storage efficiency, and large storage capacity. Electricity charged into this system is simultaneously transformed and stored in the thermal, pressure potential, and gravitational potential forms. The operating properties of the proposed system are simulated and analyzed with the commercial software Thermoflex V29. Results show that both the storage pressure and the well radius have essential influences on the performance of the newly proposed system. The theoretical energy storage efficiency of the proposed system is in a scope of 63.58%–65.50% with a storage pressure range of 40–100 bar. Economic analysis based on the time‐of‐use price policy in China suggests that the optimum levelized cost of storage (LCOS) happens at the storage pressure of 70 bar and a well radius of 8 m. Besides, considering different plant cost factors that reflect the total investment of a power plant, the optimum LCOS is 1.09–1.26 CNY/kWh. Moreover, the specific exergy cost of the discharged electricity is assessed to be 0.51 CNY/kWh or so, which is significantly more profitable compared with the given electricity price of 1.15 CNY/kWh at off‐peak.
Statistical learning for sparser fine‐mapped polygenic models: The prediction of LDL‐cholesterol
Authors: Maj Carlo , Staerk Christian , Borisov Oleg , Klinkhammer Hannah , Wai Yeung Ming , Krawitz Peter , Mayr Andreas
Published: August 2022

Polygenic risk scores quantify the individual genetic predisposition regarding a particular trait. We propose and illustrate the application of existing statistical learning methods to derive sparser models for genome‐wide data with a polygenic signal. Our approach is based on three consecutive steps. First, potentially informative loci are identified by a marginal screening approach. Then, fine‐mapping is independently applied for blocks of variants in linkage disequilibrium, where informative variants are retrieved by using variable selection methods including boosting with probing and stochastic searches with the Adaptive Subspace method. Finally, joint prediction models with the selected variants are derived using statistical boosting. In contrast to alternative approaches relying on univariate summary statistics from genome‐wide association studies, our three‐step approach enables to select and fit multivariable regression models on large‐scale genotype data. Based on UK Biobank data, we develop prediction models for LDL‐cholesterol as a continuous trait. Additionally, we consider a recent scalable algorithm for the Lasso. Results show that statistical learning approaches based on fine‐mapping of genetic signals result in a competitive prediction performance compared to classical polygenic risk approaches, while yielding sparser risk models.
Impact of the restrictions on community activities policy during the COVID‐19 on psychological health in Indonesia's urban and rural residents: A cross‐sectional study
Authors: Desdiani Desdiani , Sutarto Auditya P.
Published: August 2022

Background and Aims

Although extensive research has been conducted on the psychological impact after exposure to the COVID‐19 pandemic, very few studies simultaneously investigated the negative and positive impacts on urban and rural residents. This study aims to compare the extent of psychological impact on Indonesian living in urban and rural areas a year after the first case of COVID‐19 was reported.

Design, Methodology and Approach

We employed a cross‐sectional study design. A total of 428 participants completed a set of web‐based questionnaires from February to March 2021, consisting of the Impact of Event Scale‐Revised (IES‐R), the Perceived Social‐Support (PSS), the mental health‐related lifestyle (MHLS), and 6‐item negative impacts, and the Jenkins' Sleep Scale (JSS).

Findings

Over 40% of the participants reported moderate to severe trauma‐related distress; 30%–40% increased stress at work, home, and financial stress, and 50% more social support gained from their family and friends. Although 62.1% of participants paid more attention to their mental health, only 30% engaged in a healthier lifestyle, and 36.7% had sleep problems. No significant differences were found between urban and rural residents on psychological impact, changes in mental health and related lifestyles, and sleep quality. Urban residents perceived more negative impacts, in parallel with increased social support, compared to rural residents. We also found a significant correlation between psychological impact, sleep disturbance, and increased social support. However, there was no significant association between mental health‐related lifestyles and other scales.

Originality and Value

This is among the first studies that examine the urban–rural disparity on the positive and negative impact of the COVID‐19 in the later stage of the pandemic. Our findings offer insights to provide equal effort to mitigate the negative impacts of the COVID‐19 crisis as well as promote healthy lifestyle behaviors in both urban and rural residencies.
The Clinical Research Bias Index (CRBI): A novel journal ranking method applied to child health respiratory studies
Authors: Vairavan Manishaa , Prayle Andrew , Davies Patrick
Published: August 2022

Background and Aims

Journal impact factor has historically been taken as a proxy for quality. However, this is open to significant manipulation and bias. There is currently not widely adopted, robust journal and paper ranking metric which is focused solely on risk of bias.

Methods

Risk of bias data was extracted from all Cochrane database systematic reviews in Child Health, Lungs, and Airways for the years 2017–2019. A novel paper quality score, the Clinical Research Bias Index (CRBI), was applied. Individual paper data were pooled for each journal. A comparison was made to journal impact factors, individual paper citations, reads, and altmetric scores.

Results

927 papers were analyzed for risk of bias. 119 (12·8%) scored a CRBI of 100%, with a mean score of 70%. A journal's overall CRBI risk of bias score was poorly correlated with impact factor (r 0.25). Citations (r 0.02), and reads (r 0.01) of individual papers showed very little association with the paper's risk of bias. Likewise, reads were not correlated with citations (r 0.03). H‐index and Altmetric scores were similarly poorly correlated with CRBI.

Conclusion

The novel research quality tool CRBI demonstrates the poor correlation between journal impact factor, citations, and risk of bias. Journal and paper ranking metrics should ensure that they are fit for purpose, and enable the dissemination of high‐quality research for the benefit of patients. We propose the CRBI as a potential solution which is resistant to manipulation and will reward the creation and publication of bias‐free research.
Under‐prescription of medications in older adults according to START criteria: A cross‐sectional study in Lebanon
Authors: Hanna Venise , Chahine Bahia , Al Souheil Farah
Published: August 2022

Background and Aims

Under‐prescription is defined as the exclusion of medications indicated for the treatment of certain conditions without any rationale for not prescribing them. The under‐prescription of medications is highly prevalent among older adults (≥65 years) receiving polypharmacy. This study aimed to assess the prevalence of the under‐prescription of medications using the Screening Tool to Alert to Right Treatment (START) criteria version 2 and to identify the predictors of having potential prescribing omissions (PPOs).

Methods

This cross‐sectional, face‐to‐face interview study was carried out between September 2021 and February 2022. The study comprised community‐dwelling older adults taking at least one medication on a regular basis. The study questionnaire included the patients' demographics, clinical data, and comorbidities. PPOs were identified using the START criteria. The χ2 test was used to assess the association between under‐prescription of medication and the demographic/clinical variables. Multivariable logistic regression was performed to explore factors associated with under‐prescription of medications as the dependent variable and taking all variables that showed a p < 0.05 in the bivariate analysis as independent.

Results

A total of 444 older adults agreed to participate in this study. The mean age of participants was 71 ± 8.6; the majority of them, 305 (68.7%), were men. Polypharmacy was present in 261 patients (58.8%) and underprescribing of medications in 260 patients (58.6%). The highest percentage of under‐prescribing of medications was reported with statins in 115 patients (44.2%) followed by aspirin in 93 (35.7%), and angiotensin‐converting enzyme inhibitors in 61 (23.4%). The results of the multivariable analysis showed that patients with underprescribed medications had higher odds of polypharmacy (odds ratio [OR]: 2.015, confidence interval [CI] 95% 1.362–2.980, p < 0.001) and higher Charlson Comorbidity Index (OR 2.807, CI 95% 1.463–5.85, p = 0.02).

Conclusion

The present findings highlight that PPOs are highly prevalent among community‐dwelling older adults in Lebanon. Multimorbidity and polypharmacy were the identified predictors for under‐prescription of medications in this population.
Lattice expansion enables interstitial doping to achieve a high average ZT in n‐type PbS
Authors: Liu Zhengtao , Hong Tao , Xu Liqing , Wang Sining , Gao Xiang , Chang Cheng , Ding Xiangdong , Xiao Yu , Zhao Li‐Dong
Published: August 2022

Lead sulfide (PbS) presents large potential in thermoelectric application due to its earth‐abundant S element. However, its inferior average ZT (ZTave) value makes PbS less competitive with its analogs PbTe and PbSe. To promote its thermoelectric performance, this study implements strategies of continuous Se alloying and Cu interstitial doping to synergistically tune thermal and electrical transport properties in n‐type PbS. First, the lattice parameter of 5.93 Å in PbS is linearly expanded to 6.03 Å in PbS0.5Se0.5 with increasing Se alloying content. This expanded lattice in Se‐alloyed PbS not only intensifies phonon scattering but also facilitates the formation of Cu interstitials. Based on the PbS0.6Se0.4 content with the minimal lattice thermal conductivity, Cu interstitials are introduced to improve the electron density, thus boosting the peak power factor, from 3.88 μW cm−1 K−2 in PbS0.6Se0.4 to 20.58 μW cm−1 K−2 in PbS0.6Se0.4−1%Cu. Meanwhile, the lattice thermal conductivity in PbS0.6Se0.4−x%Cu (x = 0–2) is further suppressed due to the strong strain field caused by Cu interstitials. Finally, with the lowered thermal conductivity and high electrical transport properties, a peak ZT ~1.1 and ZTave ~0.82 can be achieved in PbS0.6Se0.4 − 1%Cu at 300–773K, which outperforms previously reported n‐type PbS.
DFT Studies of Au(I) Catalysed Reactions: Anion Effects and Reaction Selectivity
Authors: Epton Ryan G. , Unsworth William P. , Lynam Jason M.
Published: August 2022

Density functional theory (DFT) is a powerful tool that can aid in the exploration and development of synthetic chemistry, and its use is often applied in the chemistry of gold(I) catalysis. In this review, we discuss two different facets of these calculations – namely, the exploration and explanation of anion effects, and the regioselectivity and speciation of gold(I)‐catalysed reactions. The research described herein clearly shows the importance of including the anion in DFT studies of Au(I)‐catalysed reactions, especially when using low polarity solvents, or where hydrogen‐bonding is prevalent. Additionally, we show that whilst using DFT to study the selectivity of reactions can be successful, benchmarking the computational results against experimental data is vitally important for ensuring that the model is accurately describing the observed results.
Conceptualizing brand purpose and considering its implications for consumer eudaimonic well‐being
Authors: Williams Patti , Escalas Jennifer Edson , Morningstar Andrew
Published: August 2022

In response to high‐profile calls, and the apparent demand from consumers, brands in a wide variety of categories have sought to define, articulate, communicate, and act according to their “brand purpose.” But what is brand purpose? Human purpose is seen as a long‐term commitment to act consistently with one's values, leading to productive engagement with the world that transcends the self. However, the use of the term purpose as applied to brands raises a number of questions. In what ways is brand purpose similar to, and different from, human purpose? How do consumers react to brand purpose? How might a brand's purpose impact consumers? In this review, we explore the concept of brand purpose and its potential impact on consumer behavior, drawing upon the literature on human purpose. Additionally, we propose that engagement and connections with authentically purposeful brands may contribute to consumers' own purposeful lives, ultimately helping consumers achieve their own eudaimonic well‐being. We develop a framework highlighting the relationship between brand purpose and consumer eudaimonic well‐being to guide future research in this domain.
Clinical guideline highlights for the hospitalist: Management of Kawasaki disease
Authors: Harrison Meghan , Scalici Paul
Published: August 2022

GUIDELINE TITLE: 2021 American College of Rheumatology/Vasculitis Foundation Guideline for the Management of Kawasaki Disease

RELEASE DATE: March 7, 2022

PRIOR VERSION (S): 2017

DEVELOPER: American College of Rheumatology and the Vasculitis Foundation

FUNDING SOURCE: American College of Rheumatology and the Vasculitis Foundation

TARGET POPULATION: Children with Kawasaki disease
Facial Nerve Paralysis and COVID‐19: A Systematic Review
Authors: Namavarian Amirpouyan , Eid Anas , Ziai Hedyeh , Cheng Emily YiQin , Enepekides Danny
Published: August 2022

Objective

Several cases of facial nerve paralysis (FNP) post‐COVID‐19 infection have been reported with varying presentations and management. This study aims to identify FNP clinical characteristics and recovery outcomes among patients acutely infected with COVID‐19. We hypothesize that FNP is a potentially unique sequalae associated with COVID‐19 infections.

Methods

A systematic review of PubMed‐Medline, OVID Embase, and Web of Science databases from inception to November 2021 was conducted following the Preferred Reporting Items for Systematic Reviews and Meta‐Analyses guidelines.

Results

This search identified 630 studies with 53 meeting inclusion criteria. This resulted in 72 patients, of which 30 (42%) were diagnosed with Guillain‐Barré Syndrome (GBS). Non‐GBS patients were on average younger (36 vs. 53 years) and more likely to present with unilateral FNP (88%) compared to GBS patients who presented predominantly with bilateral FNP (74%). Among non‐GBS patients, majority (70%) of FNP presented a median of 8 [IQR 10] days after the onset of initial COVID‐19 symptom(s). Treatment for non‐GBS patients consisted of steroids (60%), antivirals (29%), antibiotics (21%), and no treatment (21%). Complete FNP recovery in non‐GBS patients was achieved in 67% patients within a median of 11 [IQR 24] days.

Conclusion

FNP is a possible presentation post COVID‐19 infections, associated with both GBS and non‐GBS patients. Although no causation can be assumed, the clinical course of isolated FNP associated with COVID‐19 raises the possibility of a unique presentation differing from Bell's palsy, seen with higher proportion of patients developing bilateral FNP and a shorter duration to complete recovery. Laryngoscope, 133:1007–1013, 2023