bluuebunny/crossref_metadata_2025_split huggingface dataset:
Mental health literacy among primary healthcare workers in South Africa and Zambia
Authors: Korhonen Joonas , Axelin Anna , Stein Dan J. , Seedat Soraya , Mwape Lonia , Jansen Ronelle , Groen Gunter , Grobler Gerhard , Jörns‐Presentati Astrid , Katajisto Jouko , Lahti Mari ,   MEGA Consortium/Research Team
Published: November 2022

AbstractBackgroundIn developing countries, mental health literacy (MHL) still needs to be improved due to the high prevalence of mental disorders. It is widely recognized that MHL can improve health outcomes for both individuals and populations. Healthcare professionals’ development in MHL is crucial to the prevention of mental disorders. The aim of this study was to assess MHL of primary healthcare (PHC) workers in South Africa (SA) and Zambia and determinants thereof. Limited evidence is available on the levels of MHL among PHC workers in the sub‐Saharan Africa region, which faces a large burden of mental disorders.MethodsThe study population for this cross‐sectional survey comprised PHC workers (n = 250) in five provinces of SA and Zambia. MHL was measured with the Mental Health Literacy Scale (MHLS). We conducted a multivariate analysis to explore determinants of MHL.ResultsResults showed moderate MHL among PHC professionals, but with a wide range from low to high MHL. Knowledge‐related items had a greater dispersion than other attributes of MHL. PHC workers with more education showed a greater ability to recognize mental health‐related disorders. Those who had experience in the use of mental health‐related assessment scales or screening tools reported a higher total MHL. The results confirmed strong internal consistency for the MHLS.ConclusionThe results highlighted varying mental health perceptions and knowledge in PHC. Implementation of specifically developed formal training programs and interventions to improve MHL in PHC workers to strengthen their competence may help bridge the treatment gap.
Chemical Profile of the Pits Oil from the Tunisian ‘Alig’ Cultivar ofPhoenix dactyliferaL.:In VivoWound Healing Potential Evaluation of a Cream Formulated from the Extracted Oil and Insights from Molecular Docking and SAR Analysis
Authors: Chhoud Rihab , Said Bagga Mohamed , Ali Lassoued Mohamed , Jlizi Salma , Nabili Abdelkader , Sfar Souad , Ben Jannet Hichem , Majdoub Hatem 
Published: November 2022

AbstractSince ancient times the oil from date palm pits (Phoenix dactyliferaL.) has been used to heal wounds. In order to prove this traditional usage of the pits, this oil was extracted from the pits of the Tunisian cultivar ‘Alig’ and its physico‐chemical properties and the chemical composition were evaluated. The fatty acid profile, evidenced by GC, allowed to classify this oil as an oleic‐myristic acid oil with a clear abundance of oleic acid (53.66 %).1H and13C‐NMR as well as FT‐IR analyses confirmed the presence of fatty acids in triglyceride forms. Furthermore,in vivowound healing activity of a cream formulated from the extracted oil was performed, for the first time, using a rat model and was compared to placebo cream and a commercial formulation, MEBO®. This study showed that the test cream promoted the healing of pressure ulcers better than the placebo cream and the MEBO® ointment. The results showed that this vegetable oil is able to improve the healing of infected wounds in rats, thus supporting its traditional use. The contribution of the main oleic, linoleic and myristic acids that can be derived from enzymatic hydrolysis to the healing activity of the whole pits oil was predicted byin silicostudy and the calculated pharmacokinetics parameters.
Characterization of the Gateway Decarboxylase for Psilocybin Biosynthesis
Authors: Schäfer Tim , Kramer Kristina , Werten Sebastiaan , Rupp Bernhard , Hoffmeister Dirk 
Published: November 2022

AbstractThe l‐tryptophan decarboxylase PsiD catalyzes the initial step of the metabolic cascade to psilocybin, the major indoleethylamine natural product of the “magic” mushrooms and a candidate drug against major depressive disorder. Unlike numerous pyridoxal phosphate (PLP)‐dependent decarboxylases for natural product biosyntheses, PsiD is PLP‐independent and resembles type II phosphatidylserine decarboxylases. Here, we report on the in vitro biochemical characterization of Psilocybe cubensis PsiD along with in silico modeling of the PsiD structure. A non‐canonical serine protease triad for autocatalytic cleavage of the pro‐protein was predicted and experimentally verified by site‐directed mutagenesis.
Chemoenzymatic Synthesis of Sterically Hindered Biaryls by Suzuki Coupling and Vanadium Chloroperoxidase Catalyzed Halogenations
Authors: Huang Wansheng , Huang Shengtang , Sun Zhoutong , Zhang Wuyuan , Zeng Zhigang , Yuan Bo 
Published: November 2022

AbstractHalogenated biaryls are vital structural skeletons in bioactive products. In this study, an effective chemoenzymatic halogenation by vanadium‐dependent chloroperoxidase fromCurvularia inaeqaelis(CiVCPO) enabled the transformation of freely rotating biaryl bonds to sterically hindered axis. The yields were up to 84 % for the tribrominated biaryl products and up to 65 % when isolated. Furthermore, a one‐pot, two‐step chemoenzymatic strategy by incorporating transition metal catalyzed Suzuki coupling and the chemoenzymatic halogenation in aqueous phase were described. This strategy demonstrates a simplified one‐pot reaction sequence with organometallic and biocatalytic procedures under economical and environmentally beneficial conditions that may inspire further research on synthesis of sterically hindered biaryls.
Ru−RuO2 Nanoparticles Decorated on Various Substrates via Reduction‐Hydrolysis Strategy for Boosting Overall Water‐Splitting Performance
Authors: Hu Yanping , Zhou Jing , Sun Xuzhuo , Chen Jing , Li Bo , Wang Yujia , Wang Ning 
Published: November 2022

AbstractEngineering bifunctional nanocomposites with pronounced interfacial structure represents an effective design strategy for water‐splitting catalysts. Herein, a facile reduction‐hydrolysis method is described for the fabrication of Ru−RuO2 hybrid nanocomposites on various substrates [Ni foam (NF), carbon nanotubes (CNT) and graphene oxide (GO)] as overall water‐splitting catalysts. Polydopamine (PDA) is the key element for simultaneously fabricating the Ru−RuO2 hybrids as a moderate reductant by controlling the reduction rate. In the synthesis process, a gradual reduction of Ru3+ to Ru0 in the presence of PDA occurred during the hydrolytic process of Ru3+ to form RuO2 ⋅ n(H2O). After calcination, Ru−RuO2 hybrids with tight interfacial contacts and high electrical conductivity exhibited excellent performance for both HER and OER. Especially, Ru−RuO2 hybrids on the NF (Ru−RuO2/NC/NF) achieved outstanding catalytic activity toward HER and OER with overpotential of 24 mV and 223 mV at a current density 10 mA cm−2 in alkaline solution, respectively. This work provides a new method for facile synthesis and engineering of Ru−RuO2 nanoparticles on various substrates for boosting the HER/OER performance.
A Computational Study of the MoO2(acac)2 Catalyzed Epoxidation of Ethylene with Hydrogen Peroxide and t‐Butyl Hydroperoxide
Authors: Dhimba George , Muller Alfred , Lammertsma Koop 
Published: November 2022

AbstractThe cis‐MoO2(acac)2 catalyzed epoxidation of ethylene by H2O2 or tert‐butyl hydroperoxide (TBHP) was studied by density functional theory at ωB97x–D using the 6‐31G(d,p) and 6‐311G(2d,p) basis sets and the PCM model to include the effect of acetonitril solvation. Three initial MoO2(acac)2⋅H2O2 adducts were identified. An associative pathway with a barrier of 26.7 kcal/mol is favored for H2O2 which inserts first into an acac ligand coordination site of the catalyst. TBHP favors instead a step‐wise mechanism in which a catalyst's Mo=O bond inserts into the oxidant upon which ethylene gets epoxidized by the hepta‐coordinate MoO(OH)(acac)2 (TBHP‐κ2O,O’) intermediate with an activation energy of 33.8 kcal/mol. The reaction barriers for H2O2 and TBHP are both within the typical temperature range (70 °C) used for Mo catalyzed epoxidations. The results indicate that the mechanism depends largely on the nature of the oxidant and the dioxo molybdenum catalysts used.
Heterointerface Engineering of ZnO/CdS Heterostructures through ZnS Layers for Photocatalytic Water Splitting
Authors: Guo Xu , Liu Xing , Yan Junqing , Liu Shengzhong Frank 
Published: November 2022

AbstractSolar‐driven water splitting to produce clean and renewable hydrogen offers a green strategy to address the energy crisis and environmental pollution. Heterostructure catalysts are receiving increasing attention for photocatalytic hydrogen generation. ZnO/ZnS/CdS and ZnO/CdS heterostructures have been successfully designed and prepared according to two different strategies. By introducing a heterointerface layer of ZnS between ZnO and CdS, a Z scheme charge‐transfer channel was promoted and achieved superior photocatalytic performance. A highest hydrogen generation rate of 156.7 μmol g−1 h−1 was achieved by precise control of the thickness of the heterointerface layer and of the CdS shell. These findings demonstrated that heterostructures are promising catalysts for solar‐driven water splitting, and that heterointerface engineering is an effective way to improve the photocatalytic properties of heterostructures.
Boroleucine‐Derived Covalent Inhibitors of the ZIKV Protease
Authors: Braun Niklas J. , Huber Simon , Schmacke Luna C. , Heine Andreas , Steinmetzer Torsten 
Published: November 2022

AbstractThe Zika virus (ZIKV) remains a potential threat to the public health due to the lack of both an approved vaccination or a specific treatment. In this work, a series of peptidic inhibitors of the ZIKV protease with boroleucine as P1 residue was synthesized. The highest affinities with Ki values down to 8 nM were observed for compounds with basic residues in both P2 and P3 position and at the N‐terminus. The low potency of reference compounds containing leucine, leucine‐amide or isopentylamide as P1 residue suggested a covalent binding mode of the boroleucine‐derived inhibitors. This was finally proven by crystal structure determination of the most potent inhibitor from this series in complex with the ZIKV protease.
Assessing the Effect of Dopants on the C−H Activation Activity of γ‐Al2O3 using First‐Principles Calculations
Authors: Singh Priti , Gogoi Amrita , Aien Qurat Ul , Dixit Mudit 
Published: November 2022

AbstractIn recent years, the high availability of methane in the shale gas reserves has raised significant interest in its conversion to high‐value chemicals but this process is still not commercially viable. Metal oxides, due to their surface heterogeneity and the presence of Lewis acidic and basic site pairs are known to facilitate the activation of C−H bonds of methane. In this work, we investigate the C−H bond activation of methane on pristine and doped γ‐Al2O3 clusters using density functional theory (DFT) calculations. Our results demonstrate that the polar pathway is energetically preferred over the radical pathway on these systems. We found that the metal dopants (boron and gallium) not only alter the catalytic activity of dopant sites but this effect is more pronounced on some of the adjacent sites (non‐local). Among the selected dopants, gallium greatly improves the catalytic activity on most of the site pairs (including most active and least active) of pristine γ‐Al2O3. Additionally, we identified a correlation between H2 binding energies and the C−H activation free energies on Ga‐doped γ‐Al2O3.
Air‐Stable Solid‐State Photoluminescence Standards for Quantitative Measurements Based on 4′‐Phenyl‐2,2′ : 6′,2′′‐Terpyridine Complexes with Trivalent Lanthanides
Authors: Sedykh Alexander E. , Becker Mariia , Seuffert Marcel T. , Heuler Dominik , Maxeiner Moritz , Kurth Dirk G. , Housecroft Catherine E. , Constable Edwin C. , Müller‐Buschbaum Klaus 
Published: November 2022

AbstractCorrect photoluminescence quantum yield (PLQY) determination in the solid state is vital for numerous application fields, such as photovoltaics, solid lighting or the development of phosphors. In order to increase the limited number of suitable standards for such determinations, two new Ln3+‐based complexes with 4′‐phenyl‐2,2′ : 6′,2“‐terpyridine γ‐[Ln4(OAc)12(ptpy)2] (1‐Eu with europium and 1‐Tb with terbium) are presented. The corresponding complexes show solid‐state QYs of 58(4) % and 46(3) %, respectively, exhibiting broadband absorption in the UV range from 380–200 nm. As Ln3+ ions in general exhibit narrow f‐f transitions, spectral regions with a broadness of 20–35 nm can be checked. Both complexes have suitable thermal stability, up to 270 °C, and are stable with respect to air and humidity, for 1‐Eu up to 75 % and for 1‐Tb up to 53 % relative humidity. These complexes are altogether suitable as standards to increase the reliability of PLQY determination and proposed to be used for a relative PLQY determination in the solid state.
Distinctive, fine‐scale distribution of Eastern Caribbean sperm whale vocal clans reflects island fidelity rather than environmental variables
Authors: Vachon Felicia , Eguiguren Ana , Rendell Luke , Gero Shane , Whitehead Hal 
Published: November 2022

AbstractEnvironmental variables are often the primary drivers of species' distributions as they define their niche. However, individuals, or groups of individuals, may sometimes adopt a limited range within this larger suitable habitat as a result of social and cultural processes. This is the case for Eastern Caribbean sperm whales. While environmental variables are reasonably successful in describing the general distribution of sperm whales in the region, individuals from different cultural groups have distinct distributions around the Lesser Antilles islands. Using data collected over 2 years of dedicated surveys in the Eastern Caribbean, we conducted habitat modeling and habitat suitability analyses to investigate the mechanisms responsible for such fine‐scale distribution patterns. Vocal clan‐specific models were dramatically more successful at predicting distribution than general species models, showing how a failure to incorporate social factors can impede accurate predictions. Habitat variation between islands did not explain vocal clan distributions, suggesting that cultural group segregation in the Eastern Caribbean sperm whale is driven by traditions of site/island fidelity (most likely maintained through conformism and homophily) rather than habitat type specialization. Our results provide evidence for the key role of cultural knowledge in shaping habitat use of sperm whales within suitable environmental conditions and highlight the importance of cultural factors in shaping sperm whale ecology. We recommend that social and cultural information be incorporated into conservation and management as culture can segregate populations on fine spatial scales in the absence of environmental variability.
Patterns and controls of foliar nutrient stoichiometry and flexibility across United States forests
Authors: Dynarski Katherine A. , Soper Fiona M. , Reed Sasha C. , Wieder William R. , Cleveland Cory C. 
Published: November 2022

AbstractPlant element stoichiometry and stoichiometric flexibility strongly regulate ecosystem responses to global change. Here, we tested three potential mechanistic drivers (climate, soil nutrients, and plant taxonomy) of both using paired foliar and soil nutrient data from terrestrial forested National Ecological Observatory Network sites across the USA. We found that broad patterns of foliar nitrogen (N) and foliar phosphorus (P) are explained by different mechanisms. Plant taxonomy was an important control over all foliar nutrient stoichiometries and concentrations, especially foliar N, which was dominantly related to taxonomy and did not vary across climate or soil gradients. Despite a lack of site‐level correlations between N and environment variables, foliar N exhibited intraspecific flexibility, with numerous species‐specific correlations between foliar N and various environmental factors, demonstrating the variable spatial and temporal scales on which foliar chemistry and stoichiometric flexibility can manifest. In addition to plant taxonomy, foliar P and N:P ratios were also linked to soil nutrient status (extractable P) and climate, especially actual evapotranspiration rates. Our findings highlight the myriad factors that influence foliar chemistry and show that broad patterns cannot be explained by a single consistent mechanism. Furthermore, differing controls over foliar N versus P suggests that each may be sensitive to global change drivers on distinct spatial and temporal scales, potentially resulting in altered ecosystem N:P ratios that have implications for processes ranging from productivity to carbon sequestration.
Effects of microwave, ultrasound, and various treatments on the reduction of antinutritional factors in elephant foot yam: A review
Authors: Srivastava Shivangi , Pandey Vinay K. , Singh Poornima , Bhagya Raj Gurajala Venkata Siva , Dash Kshirod K. , Singh Rahul 
Published: November 2022

AbstractElephant foot yam (EFY) includes a high degree of nutritious fiber, carbohydrates, glucose, protein, and sugars. It also has plenty of calcium, sodium, potassium, and vitamin C, and is a promising source of starch. Due to the presence of oxalate and acridity, EFY has been extensively underused. Researchers have employed a variety of ways to decrease calcium oxalate, including boiling and NaCl treatment. A novel technique like ultrasound is a promising technique for the reduction of antinutritional factors effectively by keeping the natural phytoconstituents in it. The reduction of antinutritional factors by ultrasonication resulted from the high temperatures and pressures generated amid the collapse phase of cavitation bubbles. Microwave heating depends on the dielectric properties of the food. The dielectric constant is the ability to absorb the energy, and dielectric loss is the ability to reflect where it is dissipated as heat. Because of its heat‐labile nature and the formation of insoluble complexes, microwave treatment reduces the antinutrient component. This review focused on several studies on yam oxalate concentrations that were conducted using various treatments. This would help researchers and the food industry find more effective strategies to reduce the antinutritional factor using frequency‐controlled power ultrasound.
Assessment of the iodine status of children of pre‐school age (6 months–5 years) in Rivers State, Nigeria
Authors: Orisa Catherine Achese , Ujong Anim Ekpo , Ariye Elijah Oyindeinyefe 
Published: November 2022

AbstractThe study was to determine the iodine status of preschool children in Rivers State, Nigeria. A cross‐sectional study design and an experimental design were employed in the study. The population comprised all preschool children in Rivers State. A multistage sampling procedure was used to draw a sample size of 330 preschool children. Early morning casual urine samples were collected from the pupils for the analysis of urinary iodine concentration (UIC) using the sensitive colorimetric method of the Sandell–Kelthoff reaction. The result revealed that none of the children were severely deficient, 2.41% were moderately deficient, and 36.14% were mildly deficient; 53.01% were adequate, while 4.82% were more than adequate. The study population was found to have adequate iodine based on the median UIC of 143.3 µg/L, and within the optimal (100–199 µg/L) range of iodine, strongly suggesting that iodine deficiency seems not to be a public health problem among the preschool children.
Cryoballoon ablation for atrial fibrillation in patients with heart failure with mildly reduced and preserved ejection fraction
Authors: Chen Chaofeng , Cheng Kuan , Gao Xiaofei , Zou Tian , Pang Yang , Ling Yunlong , Xu Ye , Xu Yizhou , Chen Qingxing , Zhu Wenqing , Ge Junbo 
Published: November 2022

AbstractAimsLimited data are available on the outcomes of cryoballoon ablation (CBA)‐based pulmonary vein isolation (PVI) for atrial fibrillation (AF) in patients with heart failure (HF) with preserved ejection fraction (HFpEF) and mildly reduced ejection fraction (HFmrEF). The present study aimed to evaluate the safety and effectiveness of CBA in such patients.Methods and resultsConsecutive patients with AF referred for CBA‐based PVI from two highly experienced electrophysiology centres were included in this retrospective study. Of 651 patients undergoing CBA, 471 cases were divided into four groups: No HF (n = 255), HFpEF (n = 101), HFmrEF (n = 78), and HF with reduced ejection fraction (n = 37). Similar early recurrence of atrial arrhythmia was found among groups (16.2% vs. 15.4% vs. 14.9% vs. 12.2%, P = 0.798), and no significant difference of long‐term sinus rhythm (SR) maintenance was identified among the HFmrEF, HFpEF, and No HF groups (71.8% vs. 75.2% vs. 79.6%, P = 0.334). CBA is safe for patients with HFmrEF and HFpEF with similar complications compared with the No HF group (3.8% vs. 4.0% vs. 3.1%, P = 0.814). The reassessment of cardiac function after CBA showed that patients with HF indicated beneficial outcomes. Left atrial diameter (LAD) and left ventricular ejection fraction were significantly improved in the HFmrEF group. There were 41.6% of patients in the HFpEF group who were completely relieved from HF. LAD and New York Heart Association (NYHA) were associated with recurrence in the HFpEF and HFmrEF groups, and the maintenance of SR was an independent predictor of NYHA improvement for all HF groups.ConclusionsPatients with HFmrEF and HFpEF could benefit from CBA with high SR maintenance and significant HF improvement.
Weight change and clinical outcomes in heart failure with reduced ejection fraction: insights from EMPEROR‐Reduced
Authors: Anker Stefan D. , Khan Muhammad Shahzeb , Butler Javed , Ofstad Anne Pernille , Peil Barbara , Pfarr Egon , Doehner Wolfram , Sattar Naveed , Coats Andrew J. S. , Filippatos Gerasimos , Ferreira João Pedro , Zannad Faiez , Pocock Stuart , Packer Milton 
Published: November 2022

ABSTRACTAimsBaseline body mass index (BMI) and weight loss promoted by sodium–glucose cotransporter 2 inhibitors may impact outcomes in patients with heart failure with reduced ejection fraction (HFrEF). We assessed in the EMPEROR‐Reduced population treated with empagliflozin versus placebo the relationship between baseline BMI, weight loss and effects on the primary (time to first hospitalization for heart failure [HHF] or cardiovascular death) and key secondary outcomes.Methods and resultsWe categorized patients according to their baseline BMI: <20 kg/m2 (n = 180); 20 to <25 kg/m2 (n = 1038); 25 to <30 kg/m2 (n = 1345); 30 to <35 kg/m2 (n = 774) and ≥35 kg/m2 (n = 393). The treatment effect of empagliflozin on the primary outcome was consistent across all BMI categories (hazard ratios in subgroups 0.66–0.88, interaction trend p = 0.32), as was the effect on total (first plus recurrent) HHF (interaction trend p = 0.31). Empagliflozin reduced the rate of estimated glomerular filtration rate decline consistently across the BMI categories (interaction trend p = 0.67). Overall, incidence rates of any or serious adverse events were comparable between the treatment groups across all BMI categories. A total of 313 (17.4%) patients treated with empagliflozin experienced a weight loss of more than 5% at week 52 versus 230 (12.8%) in placebo. When analysed separately within each treatment group, presence of weight loss was similarly associated with an increased risk of all‐cause mortality.ConclusionThe benefits of empagliflozin versus placebo were consistently present across all BMI categories in HFrEF patients. Weight loss was associated with higher risk of all‐cause mortality, regardless of treatment group.