bluuebunny/crossref_metadata_2025 huggingface dataset:
Surgical disorders in pediatric and adolescent gynecology: Vaginal and uterine anomalies
Authors: Mentessidou Anastasia , Mirilas Petros
Published: July 2022

Obstructive vaginal and uterine anomalies including imperforate hymen, transverse vaginal septum, and vaginal and/or cervical atresia or aplasia, might rarely present in infancy or childhood with hydrocolpos and/or hydrometra but they usually go unrecognized until presentation with amenorrhea and hematocolpos and/or hematometra in puberty. They should always be included in the differential diagnosis of a suprapubic and/or introital mass; in the latter case, vaginal vascular malformations and vaginal tumors should also be considered. Uterovaginal aplasia typically manifests with amenorrhea in puberty and needs to be differentiated from complete androgen insensitivity syndrome and gonadal dysgenesis of genetic males. Uterine fusion anomalies usually present with fertility and/or obstetrical complications in adulthood. However, a unicornuate uterus with a blind rudimentary contralateral horn containing functioning endometrium, and didelphys or septate uterus with a deviating obstructive septum might present in childhood or puberty with sequelae related with secretions or menstrual retention. This review provides a collective account of the most clinically important information about vaginal and uterine anomalies in childhood and adolescence for clinicians involved in the care of young females with the aim to provide guidance in appropriate evaluation and management.
Young people and adult stakeholders' reflections on how school staff should support students who self‐harm: A qualitative study
Authors: Meinhardt Inge , Cuthbert Sasha , Gibson Kerry , Fortune Sarah , Hetrick Sarah Elisabeth
Published: July 2022

Introduction

Self‐harm is a significant public health issue affecting school communities, students, and families. The school is an ideal environment for early intervention and prevention. This study aimed to explore the views of young people and stakeholders on how school staff should support students who self‐harm in the context of developing accessible and acceptable guidelines.

Methods

The study was nested within a larger Delphi study conducted in New Zealand. Two panels were asked to provide reflection in open text boxes in two questionnaires on how school staff can support students who self‐harm. The youth panel included 22 participants between 16 and 25 years, and 81.8% identified as female and 18.3% as male. The stakeholder panel (e.g., school staff) included 27 participants over 25 years, and 63.0% identified as female, and 37.0% as male. The data were analyzed using thematic analysis to identify key themes.

Results

Eight themes were identified; (1) an approach that prioritizes trust, (2) an approach that recognizes students' agency, (3) an individually tailored approach, (4) a whole‐school approach, (5) an approach that recognizes role boundaries, (6) an approach that prioritizes safety, (7) a nonpunitive approach, and (8) an appropriately‐resourced approach.

Conclusion

The eight themes identified highlighted ineffective practices in response to self‐harm in schools. The eight themes provide solutions to these practices. Our findings highlighted four recommendations that address ineffective management approaches in response to students who self‐harm. These recommendations included using a student‐centered approach, a whole‐school approach, avoiding punitive approaches, and providing adequate resourcing to schools.
Cultural dimensions of individualism and collectivism and risk of opioid misuse: A test of Social Cognitive Theory
Authors: Kim Shin Ye , Park Sung Yong , Mathai Babetta , Daheim Jacob , France Christopher , Delgado Betsaida
Published: July 2022

Background

Despite the critical role social and cultural contexts play in pain experience, limited theoretical and empirical attention has been devoted to the interplay between social, cognitive, cultural, and psychological factors in chronic pain management and the risk of opioid misuse.

Methods

Using structural equation modeling, the present study tested the Social Cognitive Theory (SCT) of chronic pain management and risk of opioid misuse in the context of intraindividual cultural dimensions of individualism and collectivism among 316 ethnically diverse adults with chronic pain in the United States.

Results

Social cognitive predictors account for a significant amount of variance in pain dysfunction and risk of opioid misuse in adults with chronic pain. Satisfaction with pain support was positively associated with both greater pain acceptance and greater pain self‐efficacy. Individualism was found to be positively associated with satisfaction with pain support, pain self‐efficacy, and pain acceptance but negatively associated with the risk of opioid misuse. Collectivism was positively associated with the risk of opioid misuse.

Conclusions

The study findings not only empirically support using SCT for adults with chronic pain, but also provide a more thorough conceptual framework that highlights the intracultural diversity and interplay among social, cognitive, and psychological factors that affect pain experience and the risk of opioid misuse among adults with chronic pain.
Barriers to access intimate partner violence services in female Romanian immigrants in Spain: A Delphi study
Authors: Cuesta‐García Andrea , Fernández‐Lansac Violeta , Crespo María
Published: July 2022

Immigrant women may be at higher risk of intimate partner violence (IPV) and may seek specialized services less frequently than other populations. In Spain, Romanian origin foreigners comprise the second‐highest proportion among immigrant population. This study aimed to identify, from the perspective of experts, (1) the main barriers faced by immigrant women of Romanian origin in accessing specialized services for IPV in Spain; and (2) the most useful strategies to combat these barriers. A Delphi study was conducted with a panel of 23 experts. The coefficient rWG was calculated to established agreement among participants. The results showed 58 barriers and 31 strategies with high agreement among the experts (rWG ≥ 0.80). Barriers in access to services that were considered to be highly influential included: having been in the host country for a short time; lack of language proficiency; job insecurity; difficulty with family‐work reconciliation; and fear of the social consequences for help‐seeking. The strategies considered most useful were: facilitating access to the job market and decent housing; promoting a social support network; translating material into Romanian; and increasing training among professionals. The findings offer guidelines for the improvement of the accessibility of specialized services to immigrant women of Romanian origin.
Management of opioid use disorder, opioid withdrawal, and opioid overdose prevention in hospitalized adults: A systematic review of existing guidelines
Authors: Calcaterra Susan L. , Bottner Richard , Martin Marlene , Englander Honora , Weinstein Zoe M. , Weimer Melissa B. , Lambert Eugene , Ronan Matthew V. , Huerta Sergio , Zaman Tauheed , Ullal Monish , Peterkin Alyssa F. , Torres‐Lockhart Kristine , Buresh Megan , O'Brien Meghan T. , Snyder Hannah , Herzig Shoshana J.
Published: July 2022

Background

Hospitalizations related to the consequences of opioid use are rising. National guidelines directing in‐hospital opioid use disorder (OUD) management do not exist. OUD treatment guidelines intended for other treatment settings could inform in‐hospital OUD management.

Objective

Evaluate the quality and content of existing guidelines for OUD treatment and management.

Data Sources

OVID MEDLINE, PubMed, Ovid PsychINFO, EBSCOhost CINHAL, ERCI Guidelines Trust, websites of relevant societies and advocacy organizations, and selected international search engines.

Study Selection

Guidelines published between January 2010 to June 2020 addressing OUD treatment, opioid withdrawal management, opioid overdose prevention, and care transitions among adults.

Data Extraction

We assessed quality using the Appraisal of Guidelines for Research and Evaluation (AGREE) II instrument.

Data Synthesis

Nineteen guidelines met the selection criteria. Most recommendations were based on observational studies or expert consensus. Guidelines recommended the use of nonstigmatizing language among patients with OUD; to assess patients with unhealthy opioid use for OUD using the Diagnostic Statistical Manual of Diseases—5th Edition criteria; use of methadone or buprenorphine to treat OUD and opioid withdrawal; use of multimodal, nonopioid therapy, and when needed, short‐acting opioid analgesics in addition to buprenorphine or methadone, for acute pain management; ensuring linkage to ongoing methadone or buprenorphine treatment; referring patients to psychosocial treatment; and ensuring access to naloxone for opioid overdose reversal.

Conclusions

Included guidelines were informed by studies with various levels of rigor and quality. Future research should systematically study buprenorphine and methadone initiation and titration among people using fentanyl and people with pain, especially during hospitalization.
Reinfection with SARS‐CoV‐2 in general population, South Korea; nationwide retrospective cohort study
Authors: Jang Eun Jung , Choe Young June , Yun Go‐Woon , Wang Seongjin , Cho U. Jin , Yi Seonju , Lee Sangwon , Park Young‐Joon
Published: July 2022

To better understand the epidemiology of SARS‐CoV‐2 reinfections, we analyzed national data from South Korean who were followed longitudinally from January 2020 to April 2022. We conducted a nationwide retrospective cohort study to estimate possible SARS‐CoV‐2 reinfection rates in all residents in South Korea, with at least two episodes of laboratory‐confirmed SARS‐CoV‐2 infection by reverse‐transcriptase polymerase chain reaction or rapid antigen test (RAT) performed at least 45 or more days between both episodes, between January 2020 and April 2022. There were 16 130 855 laboratory‐confirmed SARS‐CoV‐2 cases in South Korea, with 55 841 (346.2 per 100 000; or 0.3% of all infections) cases of possible reinfections. The reinfection rate has increased from 6.0 cases per 100 000 during Pre‐Delta period to 128.0 cases per 100 000 and 355.1 cases per 100 000 during Delta and Omicron periods, respectively. Persons with one dose of vaccination had the highest reinfection rate of 642.2 per 100 000, followed by unvaccinated persons (536.2/100 000) and two‐dose vaccinated persons (406.3/100 000). Our finding suggests that the majority of possible reinfections occurred following the emergence of new variants.
Divergent response of hay and grain yield of oat: effects of environmental factors and sowing rate
Authors: Zhang Hongbo , Liu Caiting , Mao Liping , Li Yuan , Shen Yuying
Published: July 2022

BACKGROUND

Oat (Avena sativaL.) is recognized for its impressive productivity in marginal environments, and the sowing rate is an important crop management practice that potentially enhances oat productivity. Previous studies have reported the effect of sowing rate on oat yield; however, the results from such studies are inconsistent. Thus, based on 43 studies across eight countries, this study aimed to assess changes in hay and grain yields in response to sowing rate and, in combination with a boosted regression tree, to evaluate and rank the dominant factors (e.g. climate conditions, soil conditions, and sowing rate) affecting changes in hay and grain yields of oat.

RESULTS

The results revealed that increasing the sowing rate significantly increased the response ratio of grain yields and hay yields by averages of 7.3% and 7.9% respectively. However, the response ratios of grain yields and hay yields in response to changes in sowing rate were affected by different factors. Climate condition and mean annual precipitation primarily affected the response ratios of hay yields, whereas the sowing rate dominated changes in the response ratios of grain yields, with the response ratios of grain yields peaking at a sowing rate of 85 kg ha−1.

CONCLUSION

Optimizing the sowing rate with site‐specific environmental conditions could be a potential strategy for profitable oat production, given that oat can be produced under marginal environments (e.g. cool–wet climates and soil with low fertility). © 2022 Society of Chemical Industry.
Necessary and sufficient optimality conditions for some robust variational problems
Authors: Treanţă Savin
Published: July 2022

In this article, we complete the study started in Treanţă on multidimensional scalar variational control problems with mixed constraints implying partial differential equations and inequations of second‐order. More specifically, under convexity assumptions of the involved uncertain functionals of multiple integral type, we state necessary and sufficient optimality conditions for a class of robust variational problems with uncertainty in the constraint and objective functionals.
Recent Advances in Single Cell Analysis by Electrochemiluminescence
Authors: Ding Hao , Su Bin , Jiang Dechen
Published: July 2022

Understanding biological mechanisms operating in cells is one of the major goals of biology. Since heterogeneity is the fundamental property of cellular systems, single cell measurements can provide more accurate information about the composition, dynamics, and regulatory circuits of cells than population‐averaged assays. Electrochemiluminescence (ECL), the light emission triggered by electrochemical reactions, is an emerging approach for single cell analysis. Numerous analytes, ranging from small biomolecules such as glucose and cholesterol, proteins and nucleic acids to subcellular structures, have been determined in single cells by ECL, which yields new insights into cellular functions. This review aims to provide an overview of research progress on ECL principles and systems for single cell analysis in recent years. The ECL reaction mechanisms are briefly introduced, and then the advances and representative works in ECL single cell analysis are summarized. Finally, outlooks and challenges in this field are addressed.
Synthesis of Mucin O‐Glycans Associated with Attenuation of Pathogen Virulence
Authors: Minzer Giulietta , Hevey Rachel
Published: July 2022

With the concerning rise in antibiotic‐resistant infections, novel treatment options against pathogens are urgently sought. Several recent studies have identified mucin O‐glycan mixtures as potent down‐regulators of virulence‐related gene expression in diverse pathogens. As individual mucin glycans cannot be isolated in sufficient purity and quantity for biological evaluation of discrete structures, we have developed an optimized synthetic approach to generate a small library of mucin glycans which were identified as most likely to display activity. The glycans have been prepared in sufficient quantity to assess biological function, studies of which are currently ongoing.
Cerebral sinus venous thrombosis in children with inherited bleeding disorders: A case series
Authors: Sheikh Irtiza N. , Srivaths Lakshmi , Li Emma , Steinberg‐Shemer Orna , Mandel‐Shorer Noa , Kenet Gili , Barg Assaf A.
Published: July 2022

In patients with inherited bleeding disorders, thrombus development poses a challenge in balancing the management of thrombosis and bleeding. Pediatric antithrombotic therapy guidelines do not address the treatment of a thrombus in the setting of a bleeding disorder. We present a case series of four children with inherited bleeding disorders presenting with cerebral sinus venous thrombosis and bleeding, in order to summarize the different therapeutic approaches and outcomes of these patients.
The UV stability of polyethylene pipes with different comonomer content: Effect of carbon black masterbatch
Authors: Davand Razieh , Hassanajili Shadi , Rahimpour Mohammad Reza , Rashedi Reza , Sepahi Abdolhannan , Hosseini Shahin , Afzali Kamal , Valieghbal Khosro
Published: July 2022

The relationship between career resin of carbon black (CB) masterbatch and the performance of bimodal polyethylene pipes (PE100) under ultraviolet (UV) irradiation and the long‐term stability of black PE100 with different comonomer content have been investigated. For this purpose, two different CB masterbatches varying in carrier resin were selected and added to two PE100 pipes. Samples were exposed to UV irradiation, and then thermal, mechanical, and rheological properties were explored using differential scanning coloriemetry (DSC), tensile, and rheometry analyses. Additionally, Fourier transformed‐infrared spectroscopy (FTIR) has been performed to characterize the structural changes of PE100 samples under UV irradiation. According to rheological results, the PE100 sample containing more comonomer underwent a higher degree of degradation. Thermal and mechanical results reveal that the masterbatch composed of high‐density polyethylene (HDPE) as carrier resin has a better influence on PE pipes' UV stability with less comonomer content.
The king of fruits
Authors: Thorogood Chris J. , Ghazalli Mohd Norfaizal , Siti‐Munirah Mat Yunoh , Nikong Dome , Kusuma Yayan Wahyu Candra , Sudarmono Sudarmono , Witono Joko Ridho
Published: July 2022

The durian (genus Durio) has aroused curiosity among botanists for centuries, and influenced local culture across Southeast Asia for millennia. Of the 30 described species of Durio, about a third produce edible fruits, yet just one (Durio zibethinus) is grown on a commercial scale. Several new species have been described recently, which may be a reservoir of important genetic resources. Meanwhile, unregulated durian cultivation triggered by rapidly growing demand and a high return on investment may pose a threat to natural forests. Here we review recent findings in the genus with a focus on Malaysia and Indonesia. We suggest that further research into obscure wild relatives and local cultivars, will be important in the context of growing international demand for durian, coupled with an increasing reliance on commercial cultivars of this economically and culturally important fruit. Finally we suggest greater attention should be given to the potential threat to biodiversity posed by illegal durian plantations in one of the most biodiverse regions of the planet.
Restoration of threatened plant species in Limahuli Valley on the Hawaiian Island of Kaua'i in the framework of the Global Tree Assessment
Authors: Rønsted Nina , Campbell Rhian , DeMotta Mike , Edmonds Merlin , Houck Kevin , Kahokuloa Matthew , Mayfield Kimberley K. , Nyberg Ben , Opgenorth Mike , Walsh Seana K. , Wolkis Dustin , Wood Kenneth R. , Nagendra Uma
Published: July 2022

Societal Impact Statement

Trees are an important part of many ecosystems. The Global Tree Assessment data can be used to focus conservation and restoration efforts for the circa 30% of tree species that are threatened worldwide. The conservation status for the tree flora of Limahuli Valley on Kaua'i Island and a restoration plan for 11 endangered tree species is evaluated in the Global Tree Assessment framework. Lessons learned from Limahuli Valley, one of the most biodiverse valleys in the Hawaiian Islands, provide recommendations for developing long‐term sustainable restoration projects.

Based on conservation status assessments of the world's circa 60,000 trees, the Global Tree Assessment (GTA) report revealed that 30% (17,500) of known tree species are currently at risk of extinction.

This study aims to evaluate the conservation status for the tree flora of Limahuli Valley and a restoration plan for 11 endangered tree species, in the Global Tree Assessment framework.

Of the 117 tree taxa found in Limahuli Valley, 83 (71%) have been assessed for the International Union for the Conservation of Nature (IUCN) Red List and 90% of the assessed tree taxa are threatened. However, only 19 (21%) of these are federally listed and nine tree taxa were not found under their current name or at all in the GlobalTree Portal, suggesting a need for additional curation as well as a conservation status assessment gap.

Progress has been made in Limahuli Valley on most restoration goals suggested by the GTA framework, but challenges remain related to both access to material for restoration, mitigation of threats, and understanding correlates of survivorship. Furthermore, trees only constitute about 40% of the flora in Limahuli Valley, and it is important to also consider nontrees including ferns and allies to strive for restoration of an ecosystem as well as the targeted species.
Using health insurance claims data to assess long‐term disease progression in a prostate cancer cohort
Authors: Khan Saira , Vohra Sanah , Farnan Laura , Elmore Shekinah N. C. , Toumbou Khadijah , K. C. Madhav , Fontham Elizabeth T. H. , Peters Edward S. , Mohler James L. , Bensen Jeannette T.
Published: July 2022

Background

Long‐term population‐based cohort studies of men diagnosed with prostate cancer are limited. However, adverse outcomes can occur many years after treatment. Herein, we aim to assess the utility of using claims data to identify prostate cancer progression 10−15 years after diagnosis.

Methods

The study population was derived from the North Carolina−Louisiana Prostate Cancer Project (PCaP). PCaP‐North Carolina (NC) included 1031 men diagnosed with prostate cancer from 2004 to 2009. An initial follow‐up with a survey and manual medical record abstraction occurred from 2008 to 2011 (Follow‐up 1). Herein, we extended this follow‐up with linkage to healthcare claims data from North Carolina (2011−2017) and a second, supplementary 10‐year follow‐up survey (2018−2020) (Follow‐up 2). Vital statistics data also were utilized. Long‐term oncological progression was determined using these data sources in combination with expert clinical input.

Results

Among the 1031 baseline PCaP‐NC participants, 652 were linked to medical claims. Forty‐two percent of the men had insurance coverage for the entire 72 months of follow‐up. In addition, 275 baseline participants completed the supplementary 10‐year follow‐up survey. Using all sources of follow‐up data, we identified a progression event in 259 of 1031 (25%) men with more than 10 years of follow‐up data after diagnosis.

Conclusions

Understanding long‐term clinical outcomes is essential for improving the lives of prostate cancer survivors. However, access and utility of long‐term clinical outcomes with claims alone remain a challenge due to individualized agreements required with each insurer for data access, lack of detailed clinical information, and gaps in insurance coverage. We were able to utilize claims data to determine long‐term progression due to several unique advantages that included the availability of detailed baseline clinical characteristics and treatments, detailed manually abstracted clinical data at 5 years of follow‐up, vital statistics data, and a supplementary 10‐year follow‐up survey.
Tetramisole is a new IK1 channel agonist and exerts IK1‐dependent cardioprotective effects in rats
Authors: Liu Qinghua , Sun Jiaxing , Dong Yangdou , Li Pan , Wang Jin , Wang Yulan , Xu Yanwu , Tian Xinrui , Wu Bowei , He Peifeng , Yu Qi , Lu Xuechun , Cao Jimin
Published: July 2022

Cardiac ischemia, hypoxia, arrhythmias, and heart failure share the common electrophysiological changes featured by the elevation of intracellular Ca2+ (Ca2+ overload) and inhibition of the inward rectifier potassium (IK1) channel. IK1 channel agonists have been considered a new type of anti‐arrhythmia and cardioprotective agents. We predicted using a drug repurposing strategy that tetramisole (Tet), a known anthelminthic agent, was a new IK1 channel agonist. The present study aimed to experimentally identify the above prediction and further demonstrate that Tet has cardioprotective effects. Results of the whole‐cell patch clamp technique showed that Tet at 1–100 μmol/L enhanced IK1 current, hyperpolarized resting potential (RP), and shortened action potential duration (APD) in isolated rat cardiomyocytes, while without effects on other ion channels or transporters. In adult Sprague–Dawley (SD) rats in vivo, Tet showed anti‐arrhythmia and anticardiac remodeling effects, respectively, in the coronary ligation‐induced myocardial infarction model and isoproterenol (Iso, i.p., 3 mg/kg/day, 10 days) infusion‐induced cardiac remodeling model. Tet also showed anticardiomyocyte remodeling effect in Iso (1 μmol/L) infused adult rat ventricular myocytes or cultured H9c2 (2‐1) cardiomyocytes. Tet at 0.54 mg/kg in vivo or 30 μmol/L in vitro showed promising protections on acute ischemic arrhythmias, myocardial hypertrophy, and fibrosis. Molecular docking was performed and identified the selective binding of Tet with Kir2.1. The cardioprotection of Tet was associated with the facilitation of IK1 channel forward trafficking, deactivation of PKA signaling, and inhibition of intracellular calcium overload. Enhancing IK1 may play dual roles in anti‐arrhythmia and antiventricular remodeling mediated by restoration of Ca2+ homeostasis.
INSPIRE: Safety and tolerability of inhaled Yutrepia (treprostinil) in pulmonary arterial hypertension (PAH)
Authors: Hill Nicholas S. , Feldman Jeremy P. , Sahay Sandeep , Benza Raymond L. , Preston Ioana R. , Badesch David , Frantz Robert P. , Patel Savan , Galloway Ashley , Bull Todd M. ,   the INSPIRE study investigators
Published: July 2022

The INSPIRE trial was a Phase 3, open‐label, multicenter trial (LTI‐301) that enrolled patients with pulmonary arterial hypertension (PAH) ≥ 18 years of age who transitioned to Yutrepia from nebulized treprostinil (Transition) or added Yutrepia to prostacyclin naïve patients on ≤2 nonprostacyclin oral therapies. The objectives of the trial were to evaluate the safety and tolerability of Yutrepia (dry‐powder formulation of treprostinil) in patients with PAH. The primary safety measures were the incidence of adverse events (AEs) and serious AEs. Exploratory efficacy measures were also assessed during the trial. Transition patients initiated Yutrepia at a dose comparable to their nebulized treprostinil dose while prostacyclin naïve patients received 26.5‐mcg QID; up‐titration in 26.5‐mcg increments was permitted for both groups. A total of 121 patients were enrolled, of which 29 patients discontinued from the trial, with the most common reason being AEs. Eighty percent of the Transition group and 96% of the prostacyclin naïve group titrated to a dose ≥79.5 mcg QID at Day 360, respectively, with one patient achieving a dose of 212‐mcg QID. The most common AEs were cough, headache, upper respiratory tract infection, dyspnea, dizziness, throat irritation, diarrhea, chest discomfort, fatigue, and nasopharyngitis. Most of these events were considered treatment‐related though mild to moderate in severity and expected for prostacyclin therapy administered by inhalation. In an evaluation of exploratory efficacy measures, patients remained stable or improved over the 1 year of treatment. Yutrepia was found to be a convenient, safe, and well‐tolerated inhaled prostacyclin treatment option for PAH patients.
An evaluation of ERA5 precipitation for climate monitoring
Authors: Lavers David A. , Simmons Adrian , Vamborg Freja , Rodwell Mark J.
Published: July 2022

A key aim of climate monitoring is to place the current conditions of climate variables, such as surface air temperature and precipitation, in their historical context. In Europe, a leading provider of this information is the Copernicus Climate Change Service (C3S), which is implemented by the European Centre for Medium‐Range Weather Forecasts (ECMWF) on behalf of the European Commission. To undertake this activity in close‐to‐real time, C3S predominantly uses the ECMWF ERA5 reanalysis, and ERA5 precipitation is widely used as a proxy for observed precipitation for hydrological monitoring. However, for there to be confidence in the ERA5 data, it is essential to evaluate its ability to capture observed precipitation. In this study, we therefore evaluate ERA5 precipitation against observations globally to inform C3S monitoring activities and the broader climate science community. Using 24 hr precipitation observations at 5,637 stations from 2001 to 2020, results show that the smallest ERA5 random errors occur in the winter Extratropics and the largest ERA5 errors are in the Tropics. The errors grow in the summer Extratropics and the errors in the Tropics move with the intertropical convergence zone. These findings are mirrored in the stable equitable error in probability space (SEEPS) score, with the SEEPS signifying that ERA5 is more able to discriminate between different precipitation events in the Extratropics. In general, an ERA5 wet bias is also found. The assessment of annual maximum 1 day (RX1) precipitation accumulations and four extreme events shows that ERA5 cannot model the highest observed precipitation totals but that it can generally capture their locations and patterns. Furthermore, an evaluation of monthly precipitation corroborated that ERA5 is more skilful in the Extratropics. These results imply that users can have confidence in ERA5 precipitation in extratropical regions, and therefore it is recommended that ERA5 is mostly used for extratropical precipitation monitoring.
Morphology‐Controlled Synthesis of a Novel Cu−Zn−S−O Nanocomposite for Pollutant Removal by Synergistic Effect of Adsorption and Photocatalysis
Authors: Zhu Wenli , Yang Qiaoling , Du Juan , She Xiaohong , Yin Pinpin
Published: July 2022

The novel Cu−Zn−S−O nanocomposites have been successfully synthesized via a green microwave technique using preprepared ZnS and CuO nanoparticles. The Cu−Zn−S−O nanocomposites were highly sensitive to visible light. Meanwhile, Cu−Zn−S−O nanocomposites showed excellent adsorption capacity towards dye pollutants. Under the synergistic effect of adsorption and photocatalysis, various types of dye pollutants could be removed more quickly and efficiently by Cu−Zn−S−O (M=2) nanocomposite than pure CuO and ZnS nanoparticles. Furthermore, due to morphology‐controlled CuO, Cu−Zn−S−O nanocomposites were also different in the morphology and photoresponse, and even in the removal performance. The photodegradation mechanism investigation indicated that different types of dyes were mediated by different decisive reactive species. Additionally, Cu−Zn−S−O nanocomposites could be easily reused with higher activity.
One‐pot Catalytic Conversion of Cellulose to Sorbitol and Isosorbide over Bifunctional Ni/TaOPO4 Catalysts
Authors: Wu Yuchen , He Minyao , Liu Xuefei , Wang Xincheng , Song Yongji , Li Cuiqing , Liu Shanshan , Huang Long
Published: July 2022

Preparation of isosorbide from cellulose by a catalytic one‐pot method under hydrothermal conditions is studied. Phosphate tantalum (TaOPO4) was prepared and used as support for the preparation of Ni/TaOPO4 via impregnation of Ni. The catalyst was characterized by X‐ray diffraction, H2‐TPR, NH3‐TPD, pyridine FTIR and Raman spectroscopy analysis. Results showed that the 5Ni/TaOPO4 (5 % loading of Ni) with a Brønsted/Lewis site (B/L) ratio of 0.153 showed the best catalytic performance and the total yields of sorbitol and isosorbide from cellulose reached 43 % under the conditions of 200 °C and 3 MPa H2 for 24 h. Both Lewis and Brønsted acid sites played crucial roles for the decomposition and dehydration reactions. The synergy of surface acid sites and reduction sites enhanced the cascade dehydration and hydrogenation reactions during the conversion of cellulose to isosorbide. This research is expected to broach a solution for the development of novel solid acid catalysts for the conversion of sugars into platform compounds.
Preparation of Paramylon Multifilament by Using the Viscose Method
Authors: Shibakami Motonari
Published: July 2022

The feasibility of preparing a novel wet‐spun multifilament derived from paramylon‐a linear β‐1,3‐glucan‐is investigated in this study. The decomposition temperature of the paramylon multifilament (∼300 °C) exceeds that of a wet‐spun cellulose one (∼270 °C). The distinctive feature of the paramylon multifilament is that its moisture regain is considerably higher than that of the cellulose multifilament (∼16 % vs ∼11 %). Scanning electron microscopy (SEM) observations of a homogenized aqueous dispersion containing paramylon multifilaments revealed that the shear‐force‐resistant and water‐insoluble fibrils detach from the paramylon multifilament, whereas the cellulose filament remains almost intact. SEM images provided two insights. First, the paramylon filament comprises many fibrils. Second, the adhesion between fibrils is susceptible to water molecules. The higher moisture regain is ascribable to this assembly architecture, i. e., the adhesion between the fibrils decreases upon exposure to moisture, which increases the surface area and fosters much more water absorption than that in the cellulose filament.
Ru Nanoparticles on Carbon Skeletons for an Efficient Hydrogen Evolution Reaction in Alkaline Electrolyte
Authors: Cao Youwei , Li Jinming , Li Yejun , Duan Ran , He Jun , Qi Weihong
Published: July 2022

The search of alkaline HER electrocatalysts with high performance have attracted great research attentions in recent years. For the construction of the electrocatalysts, a stable conductive substrate is generally required to the uniform distribution of the catalytic materials, where carbon‐based materials are widely utilized. Herein, porous carbon skeletons were prepared after the annealing treatment of Al‐porous coordination polymers with high specific surface area as the substrates for the growth of Ru nanoparticles via wet chemical reduction. The obtained electrocatalysts show a low overpotential of 39 mV at a current density of 10 mA cm−2 and a small Tafel slope of 26 mV dec−1 in 1 M KOH, outperforming the commercial Pt/C. The present work may provide new insights for the design of economy and high‐efficiency electrocatalysts for hydrogen production.
Identification of Potential Dual Farnesol X Receptor/Retinoid X Receptor α Agonists Based on Machine Learning Models, ADMET Prediction and Molecular Docking
Authors: Yang Ruo‐qi , Xia Yu , Xian Jin , Yu Hui‐juan , Yan Bin , Cheng Bin
Published: July 2022

Nuclear receptors (NRs) play a crucial role in the pathogenesis of metabolic syndrome. Farnesol X receptor (FXR) and retinoid X receptor (RXR) are members of the NR superfamily and are usually present as heterodimers in vivo. Screening for multi‐target NR activators is of great importance due to the complex pathogenesis of metabolic diseases. Virtual screening is often used for drug discovery. In this study, we first collected data on relevant compounds and subsequently constructed three machine learning models (Random Forest, Support Vector Machine, and Artificial Neural Network) with molecular descriptors. We then performed model fusion based on the soft voting strategy and the prediction accuracies of the fused models were 85.2 % for the FXR external validation set and 84.3 % for the RXRα external validation set, followed by virtual screening of compounds in the ZINC database according to a model score threshold of 0.7. The 499 hits commonly selected by both models were then subjected to a drug‐likeness filter and ADMET prediction using appropriate bioavailability parameters. The 10 compounds that met the criteria were processed by molecular docking using the AutoDock Vina software. The results showed that we screened four potential dual FXR/RXRα agonists with binding energies less than −8.0 kcal/mol for both targets (ZINC1557163, ZINC14824986, ZINC5273978 and ZINC40394465).
Tristable Memory Devices Based on Soluble Polyimides Containing Pendant Carbazole and Phenyl Groups
Authors: Chen Fang‐Yuan , Gao Yang , Zhu Ya‐Liang , Hu Kai‐Tai , Nan Jun‐Yi , Shen Ying‐Zhong
Published: July 2022

As an important component of highly functional macromolecule semiconductor, two kinds of new diamine monomers, bis(5‐amino‐6‐methoxy‐[1,1’‐biphenyl]‐3‐yl) methanone (BAMBPM) and bis(5‐amino‐4’‐(9H‐carbazol‐9‐yl)‐6‐methoxy‐[1,1’‐biphenyl]‐3‐yl) methanone (BACzMBPM) were used as raw materials. Two kinds of soluble aromatic polyimides were prepared from BAMBPM and BACzMBPM by polycondensation with 2,2’,3,3’‐biphenyl tetracarboxylic dianhydride (BPDA) via a two‐step procedure. The obtained polyimides were sufficiently characterized, and showed superior organic solubility and excellent thermal stability, with a weight loss of 5 % weight loss above 300 °C. Memory devices with Al/polyimide/ITO structure were prepared by the traditional method of solution spin coating. Both devices show tristable characteristics, with high ON/OFF current ratios as high as 104 and long maintenance times of 104 seconds in the environmental atmosphere.
Bis(thio)carbohydrazone Luminogens with AIEE and ACQ Features and Their In Silico Investigations with SARS‐CoV‐2
Authors: Mohammed Hashim K. K. , Manoj E. , Prathapachandra Kurup M. R.
Published: July 2022

Herein, we report two novel multidentate luminogen proligands bis(3,5‐diiodosalicylidene) carbohydrazone (H4L1) and bis(3,5‐diiodosalicylidene) thiocarbohydrazone (H4L2), which are suitable candidates for biomedical applications. Though the thiocarbohydrazone H4L2 shows aggregation caused quenching (ACQ), the carbohydrazone H4L1 exhibits stronger fluorescence due to aggregation induced emission enhancement (AIEE). Molecular docking studies of H4L1 and H4L2 along with four similar (thio)carbohydrazones with the active sites of SARS‐CoV‐2 main protease 3CLpro reveals that the thiocarbohydrazones, in general, are showing better propensity compared to their oxygen analogues. Both the thiocarbohydrazones and the carbohydrazones, however, exhibit better binding potential at the active sites than that of some of the repurposed drugs such as chloroquine, hydroxychloroquine, lopinavir, ritonavir, darunavir and remdesivir. Also, the carbohydrazone H4L1 can be a better bioprobe compared to H4L2 as the former is found to have better binding potential with SARS‐CoV‐2 spike glycoprotein along with AIEE feature.
Polyacrylonitrile Crosslinked with Diethylenetriamine and Its Use for the Removal of Lead Ions from Aquatic Systems
Authors: Archana Gupta Dr
Published: July 2022

Lead ions have become a pivotal concern for the global community and spurred a wide spectrum of research for the development of new generation decontamination materials. Herein, a highly effective detoxifying materials is presented for the removal of lead ion. Chelating beads of macroporous acrylonitrile‐ethyleneglycoldimethacrylate copolymer was prepared using suspension polymerization method and it was modified using diethylenetriamine to improve its ability to remove lead ions from aqueous solutions. The amine modified beads were used to extract lead ions by batch methodology at pH (5.0), the experiment was done at room temperature with varied metal concentrations ranging from (4.8309 to 2.4154 mmol L−1). In the single metal system, polyacrylonitrile diethylene‐triamine (PAN‐DETA) was found to adsorb lead ions. Functionalized polymer was characterized using Fourier transform infrared spectroscopy (FT‐IR) to know the functional group of polymers. The morphology and rise in nitrogen content of functionalized polymer was investigated using scanning electron microscope and an X‐ray energy dispersive spectrometer (SEM‐EDX). The morphology of the beads changed little when they were reacted to diethylenetriamine, as confirmed by a SEM image. According to a kinetics study, maximal sorption occurred within one hour.
Synthesis and Potentiometric Sensor Applications of a Hydrazone Derivative Molecule: Fast and Selective Determination of Cobalt(II) Ions
Authors: Özbek Oguz , Kalay Erbay , Cetin Alper , Isildak Ömer , Sinan Tokalı Feyzi , Nuri Aslan Osman , Isildak Ibrahim
Published: July 2022

In this study, a simple and highly selective potentiometric sensor has been developed for the determination of cobalt(II) ions based on a poly(vinly chloride) (PVC) membrane. As an ionophore, a hydrazone derivative molecule (3) was synthesized for the first time, and its characterization was completed using NMR, FT‐IR and Q‐TOF spectroscopic techniques. The developed sensor works well in the linear concentration range of 1.0×10−6–1.0×10−1 Μ with Nernstian slope of 28.6±1.7 mV/decade of activity. The developed cobalt(II)–selective sensor has a low detection limit of 3.09×10−7 Μ, and a very fast response time of 5 seconds. The sensor, which exhibits a highly selective behaviour towards cobalt(II) ions compared to other metal cations, works in the pH range of 6.0–10.0 without being affected by changes in pH. The developed sensor could be used as an indicator electrode in potentiometric titration of Co(II) ions with EDTA. Finally, the developed cobalt(II)‐selective sensor was successfully used for the determination of Co(II) in various water samples.
Gold‐Nanoparticles‐Decorated ZrO2‐CuO Nanocomposites: Synthesis, Characterization and A Novel Platform for Electrocatalytic Formaldehyde Oxidation
Authors: Özdokur Kemal Volkan , Koçak Çağrı Ceylan , Eden Çiğdem , Demir Zeynep , Çirak Çağrı , Yavuz Emre , Çağlar Bülent
Published: July 2022

In this study, gold nanoparticles decorated copper oxide‐ zirconium oxide mixture has been deposited on glassy carbon electrode surface by simple electrochemical technique. The obtained composite surface has been investigated by electrochemical impedance spectroscopy, scanning electron microscopy, energy dispersive X‐ray spectroscopy, X‐ray diffraction spectroscopy, X‐ray photoelectron spectroscopy in detail. The results of SEM images, XPS and XRD data indicated the surface of ZrO2‐CuO composite was successfully decorated with Au nanoparticles. The resulting ZrO2‐CuO/Au nanocomposite contained about 1.48 % Au nanoparticles with 70 nm average diameter. Then, the catalytic performance of ZrO2‐CuO/Au nanocomposites was investigated by using formaldehyde oxidation. The comparative studies have been revealed that the ZrO2‐CuO/Au nanocomposites exhibited a better current density towards formaldehyde oxidation than that of bare, ZrO2‐CuO, and Au modified electrodes in alkaline media. According to the best of our knowledge, this is the first study dealing with the usage of ZrO2‐CuO/Au nanocomposites in formaldehyde oxidation. As the electrochemically fabricated, stable ZrO2‐CuO/Au surface improved catalytic activity towards formaldehyde oxidation, this material is a promising candidate for application in fuel cells and removal of formaldehyde from aqueous solutions.
Determination of Sulfite Content in Wet FGD Slurry by No‐Acid‐Additive Iodimetry: Experimental and DFT Studies
Authors: Fang Xiaowei , He Yudong , Li Xinghua , Tao Ming , Yu Zhao , Wang Ze
Published: July 2022

In this paper, experimental and density functional theory (DFT) studies on determining sulfite content in wet flue gas desulfurization (FGD) slurry by no‐acid‐additive iodimetry were carried out. Three different raw materials of slurry, filtrate, and filter residue were employed to react with iodine. The measurement accuracy of acid‐additive iodimetry and no‐acid‐additive iodimetry was compared by conducting the reactions in an acidic open system (AOS) and non‐acidic open system (NAOS). It was found that no‐acid‐additive iodimetry has a higher measurement accuracy compared to that of acid‐additive iodimetry, even though acid‐additive iodimetry could slightly accelerate the reactions. In no‐acid‐additive iodimetry, it was confirmed by DFT calculations that SO32−, HSO3−, and H2SO3 had different reaction mechanisms when reacting with iodine, and SO32− showed the lowest energy barrier of 5.78 kcal/mol. According to the relative abundance of SO32−, HSO3− and H2SO3, the dominant reaction pathway of sulfite reacting with iodine could be summarized as
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Lawesson's Reagent‐Mediated Deoxygenation Reactions
Authors: Shi Tao , Wang Xiaodong , Xiong Yongxia , Yin Gaofeng , Liu Linyi , Wang Zhen
Published: July 2022

In recent years, some new functions of Lawesson's reagent have been revealed, among which the deoxygenation reactions account for the most and have been applied in the syntheses of natural products and functional materials. However, this field has not been reviewed in detail. In continuation of our research interest in sulfur chemistry, herein we reviewed the recent advances in LR‐mediated deoxygenation reactions from the following four aspects: deoxygenation, dehydration, decarbonylation, and miscellaneous. This review not only may provide ideas for removing oxygen atoms from various functional groups, but also may promote the divergent syntheses of natural products in different families.
In‐silico Computational Investigations of AntiViral Lignan Derivatives as Potent Inhibitors of SARS CoV‐2
Authors: Sureja Dipen K. , Shah Ashish P. , Gajjar Normi D. , Jadeja Shwetaba B. , Bodiwala Kunjan B. , Dhameliya Tejas M.
Published: July 2022

Due to alarming outbreak of pandemic COVID‐19 in recent times, there is a strong need to discover and identify new antiviral agents acting against SARS CoV‐2. Among natural products, lignan derivatives have been found effective against several viral strains including SARS CoV‐2. Total of twenty‐seven reported antiviral lignan derivatives of plant origin have been selected for computational studies to identify the potent inhibitors of SARS CoV‐2. Molecular docking study has been carried out in order to predict and describe molecular interaction between active site of enzyme and lignan derivatives. Out of identified hits, clemastatin B and erythro‐strebluslignanol G demonstrated stronger binding and high affinity with all selected proteins. Molecular dynamics simulation studies of clemastin B and savinin against promising targets of SARS CoV‐2 have revealed their inhibitory potential against SARS CoV‐2. In fine, in‐silico computational studies have provided initial breakthrough in design and discovery of potential SARS CoV‐2 inhibitors.
Stereoselective Synthetic Strategies to (−)‐Cannabidiol
Authors: Maiocchi Alice , Barbieri Jacopo , Fasano Valerio , Passarella Daniele
Published: July 2022

(−)‐Cannabidiol (CBD) is a non‐psychoactive compound that has already found many medical applications, from the treatment of epilepsy to other neurological disorders. (−)‐CBD is usually extracted from Cannabis Sativa, but unfortunately, its isolation among many other structurally related cannabinoids can be challenging. This, along with the increased demand for (−)‐CBD, prompted chemists to come up with synthetic strategies that could afford this cannabinoid in good yield and high enantiopurity. Herein, we aim to review the fundamental strategies employed in the stereoselective synthesis of (−)‐cannabidiol, spanning from classic approaches to automated ones, highlighting the challenges encountered in the total synthesis of this cannabinoid.
Correlating Acceptor Structure and Blend Nanostructure with the Photostability of Nonfullerene Organic Solar Cells
Authors: Paleti Sri Harish Kumar , Hultmark Sandra , Ramos Nicolas , Gasparini Nicola , Emwas Abdul-Hamid , Martin Jaime , Müller Christian , Baran Derya
Published: July 2022

The formation of photoinduced traps resulting in the loss of electron mobility deteriorates the performance of organic solar cells under continuous light soaking. The genesis of these loss mechanisms is elucidated by examining the structural stability of halogenated ITIC derivative films and the phase behavior of the respective binary systems by blending with the donor polymer PBDBT‐2F. Under constant illumination, ITIC‐4Cl is found to maintain its structural integrity, whereas fluorine on the peripheral moieties of ITIC‐4F undergoes chemical substitution to form a mixture of ITIC and ITIC‐4F. Thermal analysis of the light‐soaked binary films reveals that ITIC‐4Cl loses its crystalline phase while the crystallinity of ITIC‐4F does not undergo changes. Further, it is shown that the addition of a small amount of ITIC‐4F as a third component hinders the loss of ITIC‐4Cl crystalline phase in bulk heterojunction blends through the formation of cocrystals. These results suggest that long‐range ordering of NFAs does not necessarily improve the photostability of organic solar cells and that the addition of a third component, irrespective of the crystalline nature, can prevent changes in bulk heterojunction blend nanostructure.