bluuebunny/crossref_metadata_2025_split huggingface dataset:
CSiGaAl2−/0andCGeGaAl2−/0having planar tetracoordinate carbon atoms in their global minimum energy structures
Authors: Das Prasenjit , Chattaraj Pratim Kumar 
Published: March 2022

AbstractDensity functional theory (DFT) is used to explore the structure, stability, and bonding in CSiGaAl2−/0and CGeGaAl2−/0systems having planar tetracoordinate carbon (ptC). The neutral systems have 17 valence electrons and the mono‐anionic systems have 18 valence electrons. The ab initio molecular dynamics simulations for 2000 fs time at two different temperatures (300 and 500 K) supported the kinetic stability of the systems. From the natural bond orbital (NBO) analysis it is shown that there is a strong electron donation from the ligand atoms to the ptC atom. We have used Li+ion for the neutralization of the mono‐anionic systems and more interestingly it does not disrupt the planar structure. The most preferable site for binding of Li+ion is along the AlAl bond in both of the mono‐anionic systems. All the systems in this work have both σ and π aromaticity which is predicted from the computations of nucleus independent chemical shift (NICS). Although the anionic species obey the 18 valence electronic rule, the neutral systems break the rule with 17 valence electrons. However, both sets of systems are stable in the planar form. The bonding analysis of the systems includes molecular orbital, adaptive natural density partitioning (AdNDP), quantum theory of atoms in molecules (QTAIM), electron localization function (ELF) basin, and aromaticity analyses. The energy decomposition analysis (EDA) determines the interaction of Li+ion with CSiGaAl2−and CGeGaAl2−in Li@SiGaAl2and Li@GeGaAl2, respectively.
Effects of oxidative adsorbates and cluster formation on the electronic structure of nanodiamonds
Authors: Kirschbaum Thorren , Petit Tristan , Dzubiella Joachim , Bande Annika 
Published: March 2022

AbstractNanodiamonds (NDs) are modern high‐potential materials relevant for applications in biomedicine, photocatalysis, and various other fields. Their electronic surface properties, especially in the liquid phase, are key to their function in the applications, but we show that they are sensitively modified by their interactions with the environment. Two important interaction modes are those with oxidative aqueous adsorbates as well as ND self‐aggregation towards the formation of ND clusters. For planar diamond surfaces it is known that the electron density migrates from the diamond towards oxidative adsorbates, which is known as transfer doping. Here, we quantify this effect for highly curved NDs of varying sizes (35–147 C atoms) and surface terminations (H, OH, F), focusing on their interactions with the most abundant aqueous oxidative adsorbates (H3O+, O2, O3). We prove that the concept of transfer doping stays valid for the case of the high‐curvature NDs and can be tuned via the ND's specific properties. Secondly, we investigate the electronic structures of clusters of NDs which are known to form in particular in aqueous dispersions. Upon cluster formation, we find that the optical gaps of the structures are significantly reduced, which explains why different experimental values were obtained for the optical gap of the same structures, and the cluster's LUMO shapes resemble atom‐type orbitals, as in the case of isolated spherical NDs. Our findings have implications for ND applications as photocatalysts or electronic devices, where the specific electronic properties are key to the functionality of the ND material.
What does community resilience mean in the context of trauma‐informed communities? A scoping review
Authors: King Lindsey M. , Zori Gaia , Collins Sarah L. , Lewis Carol , Hack George , Dixon Brittney N. , Hart Mark 
Published: March 2022

AbstractSeveral communities are implementing trauma‐informed, community‐level approaches focused on addressing/preventing adverse childhood experiences (ACEs), yet most community resilience definitions from published articles are based on acute traumas. This scoping review aims to determine how community resilience is defined and operationalized within the context of chronic/complex traumas. Methods: We performed a rigorous, comprehensive literature search using multiple databases. Results: The 38 included articles addressed multiple types of chronic traumas, including historical trauma, poverty, minority stress, mass incarceration, and ACEs. A variety of definitions of community resilience were cited, several of which stressed the ability to thrive despite risk factors and the safety and wellbeing of residents. Few articles operationalized community resilience within the context of ACEs, suggesting significant gaps in the literature. Conclusion: This review can serve as an important building block to develop expanded definitions of community resilience for chronic traumas and assist communities in promoting community‐wide responses to ACEs.
Experiences of homeless men in an affluent town in South Africa
Authors: Mostert Frederik , Greeff Abraham P. 
Published: March 2022

AbstractThe aim of this study was to explore experiences of homelessness in an affluent university town. Seven homeless men were recruited at a welfare program for homeless people to participate in in‐depth, semistructured interviews that explored their experiences of homelessness in the town. The ages of the participants ranged from 36 to 52 years. There were three White participants, two of mixed race, and two Black participants. Thematic analysis was used to analyze the data, from a bottom‐up systems perspective. The results revealed some of the participants' drug‐related experiences, their structural experiences (e.g., shelter policy, low wages, and the poverty trap), their social experiences (e.g., the loss of their families and the lack of social standards in the homeless community), and their psychological experiences (i.e., fatalism, complacency, and responsibility). Subsidized housing and social grants are unlikely to effectively address the homelessness of men if other components of their experience, such as their drug‐related experiences, their structural experiences, their social experiences, and their psychological experiences, are not attended to.
Implications of foliar epidermal micromorphology using light and scanning electron microscopy: A useful tool in taxonomy of Korean irises
Authors: Choi Bokyung , Ahn Yu‐Eun , Jang Tae‐Soo 
Published: March 2022

AbstractThe genus Iris L., comprising approximately 210 species, is one of the most species‐rich genera in the family Iridaceae. In this study, the first comprehensive leaf micromorphological characters of Korean irises were studied using light and scanning electron microscopy. Our objective was to evaluate the foliar micromorphological characteristics (namely epidermal cells, stomata types, and guard cell size) of Korean Iris taxa in a systematic context. All the investigated Korean Iris taxa had amphistomatic or hypostomatic leaves with anomocytic stomatal complexes. Guard cell length varied among species, ranging from 24.8 μm (I. rossii) to 56.0 μm (I. domestica). Although the presence of papillae on the outer periclinal wall is not of taxonomic significance, leaf margin pattern, guard cell size, and sunken stomata type were useful for species‐level identification of Korean Iris species. The occurrence of polymorphic stomatal types was reported here for the first time, and the correlation between genome size and epidermal guard cell length was discussed.
Cross‐sectional trends in HIV prevalence among pregnant women in Botswana: an opportunity for PrEP?
Authors: Kapoor Andrew , Mussa Aamirah , Diseko Modiegi , Mayondi Gloria , Mabuta Judith , Mmalane Mompati , Makhema Joseph , Morroni Chelsea , Lockman Shahin , Zash Rebecca , Shapiro Roger 
Published: March 2022

AbstractIntroductionYoung women in sub‐Saharan Africa are at particularly high risk of HIV acquisition. Recent shifts towards “test and treat” strategies have potential to reduce transmission in this age group but have not been widely studied outside of clinical trials. Using data from nationwide surveillance among pregnant women in Botswana, where a “test and treat” program was implemented in 2016, we describe trends in HIV prevalence over time and highlight opportunities for targeted prevention.MethodsThe Tsepamo study abstracted data from obstetric records of all women delivering at eight government hospitals in Botswana between 2015 and 2019, accounting for 45% of all births in the country (n = 120,755). We used a stratified analysis to identify prevalence trends and evaluated decreases in HIV prevalence over time using the Cochrane–Armitage test for linear trend. A multivariable logistic regression analysis was also performed to identify factors associated with declines in HIV prevalence.ResultsOverall HIV prevalence was 24.1% among 120,755 women who delivered during the study period. Prevalence differed by site of delivery, ranging from 16.1% to 28.2%, and increased markedly with age. Lower educational attainment (adjusted odds ratio [aOR] = 3.28; 95% confidence interval [CI] 3.07–3.50) and being unmarried (aOR = 1.98; 95% CI 1.88–2.08) were associated with HIV infection. HIV prevalence was 10.0% with a first pregnancy, 21.0% with a second and 39.2% with a third or greater (aOR = 2.20; for any prior pregnancy; 95% CI 2.10–2.29). The same age‐adjusted trends were seen when data were limited to women aged 15–24, with a two‐ to three‐fold increase in HIV prevalence between a first and third pregnancy. Prevalence decreased linearly during the 5‐year study period from 25.8% to 22.7% (p <0.001). Among age‐specific strata, the greatest absolute decline occurred in those aged 35–39, with an 8.7% absolute decrease in HIV prevalence from 2015 to 2019. Minimal declines were seen in those 15–24, with a decrease of only 1.5% over the same period.ConclusionsWhile overall trends in Botswana show HIV prevalence declining among pregnant women, prevalence among the youngest age group has remained stagnant. Preventative interventions utilizing pre‐exposure prophylaxis should be prioritized during the high‐risk period surrounding a woman's first pregnancy.
Negotiating marginality: Towards an understanding of diverse development pathways of ethnic minorities in Vietnam
Authors: Hiwasaki Lisa , Minh Thai Thi 
Published: March 2022

AbstractExisting studies on socio‐economic differentiation in Vietnam focus on the inequality between the ethnic majority and minorities while neglecting the disparitiesamongethnic minorities. Using a framework to analyse marginalisation at different scales, we identified through an extensive literature review the diverse ways in which ethnic groups develop strategies to transform or maintain their marginality. These strategies depend on, at the same time influence, inequalities that manifest in processes of social differentiations and power relations. Elucidating these processes of inequalities enables us to promote livelihood opportunities that support the diverse development pathways of different ethnic groups, thus increasing the relevance of development interventions.
VIP plasma levels associate with survival in severe COVID-19 patients, correlating with protective effects in SARS-CoV-2-infected cells
Authors: Temerozo Jairo R , Sacramento Carolina Q , Fintelman-Rodrigues Natalia , Pão Camila R R , de Freitas Caroline S , Dias Suelen Silva Gomes , Ferreira André C , Mattos Mayara , Soares Vinicius Cardoso , Teixeira Lívia , Azevedo-Quintanilha Isaclaudia G , Hottz Eugenio D , Kurtz Pedro , Bozza Fernando A , Bozza Patrícia T , Souza Thiago Moreno L , Bou-Habib Dumith Chequer 
Published: March 2022

AbstractInfection by SARS-CoV-2 may elicit uncontrolled and damaging inflammatory responses. Thus, it is critical to identify compounds able to inhibit virus replication and thwart the inflammatory reaction. Here, we show that the plasma levels of the immunoregulatory neuropeptide VIP are elevated in patients with severe COVID-19, correlating with reduced inflammatory mediators and with survival on those patients. In vitro, vasoactive intestinal peptide (VIP) and pituitary adenylate cyclase-activating polypeptide (PACAP), highly similar neuropeptides, decreased the SARS-CoV-2 RNA content in human monocytes and viral production in lung epithelial cells, also reducing cell death. Both neuropeptides inhibited the production of proinflammatory mediators in lung epithelial cells and in monocytes. VIP and PACAP prevented in monocytes the SARS-CoV-2-induced activation of NF-kB and SREBP1 and SREBP2, transcriptions factors involved in proinflammatory reactions and lipid metabolism, respectively. They also promoted CREB activation, a transcription factor with antiapoptotic activity and negative regulator of NF-kB. Specific inhibition of NF-kB and SREBP1/2 reproduced the anti-inflammatory, antiviral, and cell death protection effects of VIP and PACAP. Our results support further clinical investigations of these neuropeptides against COVID-19.
Opportunities and challenges in machine learning‐based newborn screening—A systematic literature review
Authors: Zaunseder Elaine , Haupt Saskia , Mütze Ulrike , Garbade Sven F. , Kölker Stefan , Heuveline Vincent 
Published: March 2022

AbstractThe development and continuous optimization of newborn screening (NBS) programs remains an important and challenging task due to the low prevalence of screened diseases and high sensitivity requirements for screening methods. Recently, different machine learning (ML) methods have been applied to support NBS. However, most studies only focus on single diseases or specific ML techniques making it difficult to draw conclusions on which methods are best to implement. Therefore, we performed a systematic literature review of peer‐reviewed publications on ML‐based NBS methods. Overall, 125 related papers, published in the past two decades, were collected for the study, and 17 met the inclusion criteria. We analyzed the opportunities and challenges of ML methods for NBS including data preprocessing, classification models and pattern recognition methods based on their underlying approaches, data requirements, interpretability on a modular level, and performance. In general, ML methods have the potential to reduce the false positive rate and identify so far unknown metabolic patterns within NBS data. Our analysis revealed, that, among the presented, logistic regression analysis and support vector machines seem to be valuable candidates for NBS. However, due to the variety of diseases and methods, a general recommendation for a single method in NBS is not possible. Instead, these methods should be further investigated and compared to other approaches in comprehensive studies as they show promising results in NBS applications.
Mendelian randomization study on the causal effects of COVID‐19 on childhood intelligence
Authors: Zhu Gaizhi , Zhou Shan , Xu Yaqi , Gao Ran , Li Huan , Su Wenting , Han Gencheng , Wang Renxi 
Published: March 2022

AbstractAlthough individuals with coronavirus disease 2019 (COVID‐19) are known to be at increased risk for other conditions resulting from pathogenic changes (including metaplastic or anaplastic) in the lungs and other organs and organ systems, it is still unknown whether COVID‐19 affects childhood intelligence. The present two‐sample Mendelian randomization study aims to identify the genetic causal link between COVID‐19 and childhood intelligence. Four COVID‐19 genetic instrumental variants (IVs) were chosen from the largest genome‐wide association studies (GWAS) for COVID‐19 (hospitalized vs. population) (6406 cases and 902 088 controls of European ancestry). The largest childhood intelligence GWAS (n = 12 441 individuals of European ancestry) was used to evaluate the effect of the identified COVID‐19‐associated genetic IVs on childhood intelligence. We found that as the genetic susceptibility to COVID‐19 increased, childhood intelligence followed a decreasing trend, according to mr_egger (β = −0.156; p = 0.601; odds ratio [OR] = 0.856; 95% confidence interval [CI]: 0.522–1.405), simple mode (β = −0.126; p = 0.240; OR = 0.882; 95% CI: 0.745–1.044), and weighted mode (β = −0.121; p = 0.226; OR = 0.886; 95% CI: 0.758–1.036) analyses. This trend was further demonstrated by the weighted median (β = −0.134; p = 0.031; OR = 0.875; 95% CI: 0.774–0.988) and the inverse variance weighted (β = −0.152; p = 0.004; OR = 0.859; 95% CI: 0.776–0.952). Our analysis suggests a causal link between genetically increased COVID‐19 and decreased childhood intelligence. Thus, COVID‐19 may be a risk factor for declines in childhood intelligence.
Improved accuracy of storm surge simulations by incorporating changing along‐track parameters
Authors: Sridharan Balakrishnan , Chaitanya Rachuri Krishna , Sudheer Kulamulla Parambath , Kuiry Soumendra Nath 
Published: March 2022

AbstractThe estimation of maximum storm surges along a coast is indispensable for emergency action planning, design, and adaptation of coastal infrastructure. The existing studies on the Bay of Bengal coast have used synthetic tracks with constant track parameters such as the maximum wind speed, radius of maximum wind, and central pressure to estimate the probable maximum storm surges. However, the analysis of the best tracks from the Joint Typhoon Warning Center during 1978–2019 shows that the track parameters vary from origin to landfall locations. The reported studies along the Bay of Bengal have failed to capture such variations and overestimated probable maximum storm surges due to constant track parameters. Therefore, this study proposes a methodology for estimating wind speed of various return periods and associated track parameters that vary along a synthetic track. The wind speed of different return periods is computed at each eye location using the probabilistic approach. Thus, the calculated wind speeds vary from origin to landfall locations, and such a pattern of wind speed variation is observed to be similar to the historical cyclones. The radius of maximum wind and central pressure is calculated using the regression equations derived from historical tracks. The accuracy of the proposed methodology is investigated by simulating the cyclones Thane and Vardah that occurred along the Tamil Nadu coast. The results suggest that the varying track parameters using the proposed methodology produce realistic surge values similar to parameters from best track data, and it overcomes the overestimation of surge heights. The proposed methodology is further utilized to analyse the maximum surge scenarios along the Tamil Nadu coast resulting from various track shifts and angles of attack. The proposed methodology is expected to improve the estimation of storm surges in other basins.
Meteorological droughts and water resources: Historical and future perspectives for Rio Grande do Norte state, Northeast Brazil
Authors: de Medeiros Felipe Jeferson , Gomes Rafaela dos Santos , Coutinho Maytê Duarte Leal , Lima Kellen Carla 
Published: March 2022

AbstractThe objective of this study was to relate the meteorological droughts in the present climate (1991–2016) and their projections for near future (2025–2050) under the RCP2.6 and RCP8.5 with the water resources of the Rio Grande do Norte (RN) state, located in the Northeast Brazil. For this, we proposed a relationship between the categories of the Standardized Precipitation Evapotranspiration Index (SPEI) and the water variation of four reservoirs. The SPEI was calculated using the regional climate models (RCM) and its ensemble (obtained through the principal component analysis – RCM_Ens_PCA) from the CORDEX‐CORE project for the South America domain (SAM‐22). The results indicated that approximately 70% of the times when the SPEI was classified in drought categories (SPEI ≤ −0.50), there was a decrease in the stored volume of the reservoirs, being this impact more evident in years in which the SPEI values were more intense. For wet years (SPEI > 0.50), we found that in 80.0% of the times there was an increase in the stored volume. For the near‐future climate, the analyses indicated higher spread between simulations, indicating greater uncertainties. However, the RCM members and the ensemble projected a predominance of more wet (dry) years during the 2025–2033 (2042–2047) periods, especially in the RCP2.6. Thus, it is expected that the RN state would not face water scarcity from 2025 to 2033 but would probably face water deficit from 2042 to 2047. Therefore, our results show information that can be useful for decision‐makers to plan strategic actions for water security.
Secretive marsh bird habitat relationships at mid‐continent spring migration stopover sites
Authors: Webb Elisabeth B. , Hill Evan B. , Malone Kristen M. , C. Mengel Doreen 
Published: March 2022

AbstractDespite several secretive marsh bird (SMB) species being listed as critically imperiled throughout the mid‐continent of North America, limited information on SMB distribution and habitat use within primary migratory corridors results in uncertainty on contributions of wetlands in mid‐latitude states toward their annual cycle needs. Our objectives were to quantify temporal patterns of SMB wetland occupancy during spring migration at a mid‐latitude state and evaluate the relationships between SMB colonization probability and water‐level management practices, and the resulting habitat conditions during spring migration. We conducted a 2‐year, dynamic occupancy study (2013–2014) that included 6 rounds of repeated call‐back surveys to detect the presence of 5 SMB species (i.e., Virginia rail [Rallus limicola], sora [Porzana carolina], king rail [R. elegans], least bittern [Ixobrychus exilis], and American bittern [Botaurus lentiginosus]) during spring (Apr–Jun) on 107 wetlands across 8 conservation areas and 4 national wildlife refuges throughout Missouri, USA. We detected sora most frequently, followed by least bittern, American bittern, Virginia rail, and king rail. Coefficient estimates indicated colonization probability for all species was positively associated with emergent vegetation cover and negatively associated with amount of open water. Open water was the only variable in the best supported model explaining American bittern site colonization, to which they were negatively associated. Virginia rail colonization had a strong positive association with vegetation height, whereas least bittern and sora site colonization were influenced positively by water depth and agriculture, respectively. Based on the habitat associations within and among SMB species identified in this study, wetland managers can tailor management strategies to optimize spring migration habitat for single‐ or multi‐species objectives.