bluuebunny/crossref_metadata_2025 huggingface dataset:
Phylogeny explains capture mortality of sharks and rays in pelagic longline fisheries: a global meta-analytic synthesis
Authors: Gilman Eric , Chaloupka Milani , Benaka Lee R. , Bowlby Heather , Fitchett Mark , Kaiser Michel , Musyl Michael
Published: October 2022

Apex and mesopredators such as elasmobranchs are important for maintaining ocean health and are the focus of conservation efforts to mitigate exposure to fishing and other anthropogenic hazards. Quantifying fishing mortality components such as at-vessel mortality (AVM) is necessary for effective bycatch management. We assembled a database for 61 elasmobranch species and conducted a global meta-synthesis to estimate pelagic longline AVM rates. Evolutionary history was a significant predictor of AVM, accounting for up to 13% of variance in Bayesian phylogenetic meta-regression models for Lamniformes and Carcharhiniformes clades. Phylogenetically related species may have a high degree of shared traits that explain AVM. Model-estimated posterior mean AVM rates ranged from 5% (95% HDI 0.1%–16%) for pelagic stingrays and 76% (95% HDI 49%–90%) for salmon sharks. Measures that reduce catch, and hence AVM levels, such as input controls, bycatch quotas and gear technology to increase selectivity are appropriate for species with higher AVM rates. In addition to reducing catchability, handling-and-release practices and interventions such as retention bans in shark sanctuaries and bans on shark finning and trade hold promise for species with lower AVM rates. Robust, and where applicable, phylogenetically-adjusted elasmobranch AVM rates are essential for evidence-informed bycatch policy.
Tracking footprints of artificial and natural selection signatures in breeding and non-breeding cats
Authors: Zhang Xuying , Jamwal Kokila , Distl Ottmar
Published: October 2022

Stray non-breeding cats (stray) represent the largest heterogeneous cat population subject to natural selection, while populations of the Siamese (SIAM) and Oriental Shorthair (OSH) breeds developed through intensive artificial selection for aesthetic traits. Runs of homozygosity (ROH) and demographic measures are useful tools to discover chromosomal regions of recent selection and to characterize genetic diversity in domestic cat populations. To achieve this, we genotyped 150 stray and 26 household non-breeding cats (household) on the Illumina feline 63 K SNP BeadChip and compared them to SIAM and OSH. The 50% decay value of squared correlation coefficients (r2) in stray (0.23), household (0.25), OSH (0.24) and SIAM (0.25) corresponded to a mean marker distance of 1.12 Kb, 4.55 Kb, 62.50 Kb and 175.07 Kb, respectively. The effective population size (Ne) decreased in the current generation to 55 in stray, 11 in household, 9 in OSH and 7 in SIAM. In the recent generation, the increase in inbreeding per generation (ΔF) reached its maximum values of 0.0090, 0.0443, 0.0561 and 0.0710 in stray, household, OSH and SIAM, respectively. The genomic inbreeding coefficient (FROH) based on ROH was calculated for three length categories. The FROH was between 0.014 (FROH60) and 0.020 (FROH5) for stray, between 0.018 (FROH60) and 0.024 (FROH5) for household, between 0.048 (FROH60) and 0.069 (FROH5) for OSH and between 0.053 (FROH60) and 0.073 (FROH5) for SIAM. We identified nine unique selective regions for stray through genome-wide analyses for regions with reduced heterozygosity based on FST statistics. Genes in these regions have previously been associated with reproduction (BUB1B), motor/neurological behavior (GPHN, GABRB3), cold-induced thermogenesis (DIO2, TSHR), immune system development (TSHR), viral carcinogenesis (GTF2A1), host immune response against bacteria, viruses, chemoattractant and cancer cells (PLCB2, BAHD1, TIGAR), and lifespan and aging (BUB1B, FGF23). In addition, we identified twelve unique selective regions for OSH containing candidate genes for a wide range of coat colors and patterns (ADAMTS20, KITLG, TYR, TYRO3—a MITF regulator, GPNMB, FGF7, RAB38) as well as congenital heart defects (PDE4D, PKP2) and gastrointestinal disorders (NLGN1, ALDH1B1). Genes in stray that represent unique selective events indicate, at least in part, natural selection for environmental adaptation and resistance to infectious disease, and should be the subject of future research. Stray cats represent an important genetic resource and have the potential to become a research model for disease resistance and longevity, which is why we recommend preserving semen before neutering.
A pilot study of microRNA assessment as a means to identify novel biomarkers of spontaneous osteoarthritis in dogs
Authors: Yamazaki Atsushi , Tomo Yuma , Eto Hinano , Tanegashima Koji , Edamura Kazuya
Published: October 2022

MicroRNAs (miRNAs) are important regulators of intercellular signaling and are promising biomarkers in osteoarthritis (OA). In this study, comprehensive analysis was performed to identify miRNAs involved in the pathogenesis of spontaneous OA in dogs. Dogs diagnosed with OA based on radiography and arthroscopy of the stifle joint were included in the OA group. Dogs without any evidence of orthopedic disease were included in the unaffected group. To investigate miRNA expression levels, RNA sequencing analysis (RNA-seq) was performed in synovial tissue (OA group: n = 3, Unaffected group: n = 3) and RT-qPCR was performed in synovial tissue, synovial fluid and serum (OA group: n = 17, Unaffected group: n = 6), and compared between the two groups. The RNA-seq results showed that 57 miRNAs were significantly upregulated and 42 were significantly downregulated in the OA group. Specifically, miR-542 and miR-543 expression levels in the synovial tissue, synovial fluid, and serum were consistently higher in the OA group than in the unaffected group, suggesting that these miRNAs may be used as biomarkers for detecting canine OA. This is the first report to comprehensively analyze the expression patterns of miRNAs in the synovial tissue of dogs with spontaneous OA.
Global genomic methylation related to the degree of parasitism in cattle
Authors: de Soutello Ricardo Velludo Gomes , Rodrigues Maria Gabriela Fontanetti , Gonçalves Juliana Alencar , Bello Hornblenda Joaquina Silva , Pavan Bruno Ettore , Ramos Ester Silveira
Published: October 2022

The objective of the present study was to characterize a herd of 72 ½ Angus × ½ Nellore heifers, identify the resistant, resilient and susceptible animals to parasites, relate the overall DNA methylation of these animals with the degree of parasitism, evaluated by the egg count per gram of feces (EPG), Haematobia irritans count (horn fly) and Rhipicephalus microplus count (bovine tick). The experiment was carried out in a completely randomized design, containing 72 treatments, with each animal considered a treatment, and 11 repetitions, with each collection within a year considered a repetition. The data obtained from the counts of the evaluated parasites were subjected to statistical analysis using the SISVAR program, to classify heifers according to the degree of parasitism in low (resistant), intermediary (resilient) and high (susceptible) parasite load for infection by nematodes, infestation by ticks and flies. Addition the animals in these three groups, by hierarchical grouping using the GENES program, heifers were classified as to the degree of parasitism by the three parasites along with the DNA methylation content of the animals in each group. A negative relationship was observed between resistance and methylated DNA content in both classifications, with the resistant, resilient, and susceptible animals showing the highest, intermediate, and lowest methylated DNA quantifications, respectively. Thus, the methodologies used herein enabled the classification of 72 heifers according to the degree of collective infection by gastrointestinal nematodes and infestation by ticks and horn flies, thereby establishing a link between the degree of parasitic resistance in cattle and the global methylated DNA quantification.
Growth characteristics of Cunninghamia lanceolata in China
Authors: Jiang Yangao , Hu Zhe , Han Zhiguang , Zhang Junhui , Han Shijie , Hao Lin
Published: October 2022

Chinese fir (Cunninghamia lanceolata) is one of southern China's most important native tree species, which has experienced noticeable climate-induced changes. Published papers (1978–2020) on tree growth of Chinese fir forests in China were collected and critically reviewed. After that, a comprehensive growth data set was developed from 482 sites, which are distributed between 102.19° and 130.07°E in longitude, between 21.87° and 37.24°N in latitude and between 5 and 2260 m in altitude. The dataset consists of 2265 entries, including mean DBH (cm), mean H (m), volume (m3), biomass (dry weight) (kg) (stem (over bark) biomass, branches biomass, leaves biomass, bark biomass, aboveground biomass, roots biomass, total trees biomass) and related information, i.e. geographical location (Country, province, study site, longitude, latitude, altitude, slope, and aspect), climate (mean annual precipitation-MAP and mean annual temperature-MAT), stand description (origin, age, canopy density and stand density), and sample regime (plot size, number and investigation year). Our results showed that (1) the best prediction of height was obtained using nonlinear composite model Height = $$1.3 + 34.23*(1 - {\text{e}}^{{\left( { - 0.01025*{\text{DBH}}^{1.347} } \right)}} )$$

1.3
+
34.23

∗
(
1
-

e

-
0.01025

∗

DBH

1.347

)

, (R2 = 0.8715, p < 0.05), (2) the equation Volume = DBH2/(387.8 + 19,190/Height) (R2 = 0.9833, p < 0.05) was observed to be the most suitable model for volume estimation. Meanwhile, when the measurements of the variables are difficult to carry out, the volume model Volume = 0.03957 − 0.01215*DBH + 0.00118*DBH2 (R2 = 0.9573, p < 0.05) is determined from DBH only has a practical advantage, (3) the regression equations of component biomass against DBH explained more significant than 86% variability in almost all biomass data of woody tissues, which were ranked as total trees (97.25%) > aboveground (96.55%) > stems (with bark) (96.17%) > barks (88.95%) > roots (86.71%), and explained greater than 64% variability in branch biomass. The foliage biomass equation was the poorest among biomass components (R2 = 0.6122). The estimation equations derived in this study are particularly suitable for the Chinese fir forests in China. This dataset can provide a theoretical basis for predicting and assessing the potential of carbon sequestration and afforestation activities of Chinese fir forests on a national scale.
Bioactive VEGF-C from E. coli
Authors: Rauniyar Khushbu , Akhondzadeh Soheila , Gąciarz Anna , Künnapuu Jaana , Jeltsch Michael
Published: October 2022

Vascular endothelial growth factor-C (VEGF-C) stimulates lymphatic vessel growth in transgenic models, via viral gene delivery, and as a recombinant protein. Expressing eukaryotic proteins like VEGF-C in bacterial cells has limitations, as these cells lack specific posttranslational modifications and provisions for disulfide bond formation. However, given the cost and time savings associated with bacterial expression systems, there is considerable value in expressing VEGF-C using bacterial cells. We identified two approaches that result in biologically active Escherichia coli-derived VEGF-C. Expectedly, VEGF-C expressed from a truncated cDNA became bioactive after in vitro folding from inclusion bodies. Given that VEGF-C is one of the cysteine-richest growth factors in humans, it was unclear whether known methods to facilitate correct cysteine bond formation allow for the direct expression of bioactive VEGF-C in the cytoplasm. By fusing VEGF-C to maltose-binding protein and expressing these fusions in the redox-modified cytoplasm of the Origami (DE3) strain, we could recover biological activity for deletion mutants lacking the propeptides of VEGF-C. This is the first report of a bioactive VEGF growth factor obtained from E. coli cells circumventing in-vitro folding.
Investigating the associations between cognitive appraisals, emotion regulation and symptoms of posttraumatic stress disorder among Asian American and European American trauma survivors
Authors: Jobson Laura , Willoughby Casey , Specker Philippa , Wong Joshua , Draganidis Adriana , Lau Winnie , Liddell Belinda
Published: October 2022

This study investigated whether the associations between emotion regulation and cognitive appraisals and symptoms of posttraumatic stress disorder (PTSD) differ between Asian American and European American trauma survivors. Asian American (n = 103) and European American (n = 104) trauma survivors were recruited through mTurk and completed an on-line questionnaire assessing cognitive appraisals, emotion regulation and PTSD symptomatology. The European American group reported greater trauma-specific rumination, psychological inflexibility, seeking out others for comfort, and negative self-appraisals than the Asian American group. The Asian American group reported greater secondary control appraisals and cultural beliefs about adversity than the European American group. Second, cultural group moderated the associations between (a) brooding rumination, (b) fatalism, (c) self-blame, and (d) negative communal self-appraisals and PTSD symptoms. These associations were larger for the European American group than the Asian American group. Third, there was an indirect pathway from self-construal (independent and interdependent) to PTSD symptoms through certain emotion regulation approaches and cognitive appraisals. Additionally, cultural group was found to moderate several of these indirect effects. These findings highlight the importance of considering cultural background and cultural values in understanding the processes involved in PTSD. Further research in this area is needed.
A neural network for the detection of soccer headers from wearable sensor data
Authors: Kern Jan , Lober Thomas , Hermsdörfer Joachim , Endo Satoshi
Published: October 2022

To investigate the proposed association between soccer heading and deleterious brain changes, an accurate quantification of heading exposure is crucial. While wearable sensors constitute a popular means for this task, available systems typically overestimate the number of headers by poorly discriminating true impacts from spurious recordings. This study investigated the utility of a neural network for automatically detecting soccer headers from kinematic time series data obtained by wearable sensors. During 26 matches, 27 female soccer players wore head impacts sensors to register on-field impact events (> 8 g), which were labelled as valid headers (VH) or non-headers (NH) upon video review. Of these ground truth data, subsets of 49% and 21% each were used to train and validate a Long Short-Term Memory (LSTM) neural network in order to classify sensor recordings as either VH or NH based on their characteristic linear acceleration features. When tested on a balanced dataset comprising 271 VHs and NHs (which corresponds to 30% and 1.4% of ground truth VHs and NHs, respectively), the network showed very good overall classification performance by reaching scores of more than 90% across all metrics. When testing was performed on an unbalanced dataset comprising 271 VHs and 5743 NHs (i.e., 30% of ground truth VHs and NHs, respectively), as typically obtained in real-life settings, the model still achieved over 90% sensitivity and specificity, but only 42% precision, which would result in an overestimation of soccer players’ true heading exposure. Although classification performance suffered from the considerable class imbalance between actual headers and non-headers, this study demonstrates the general ability of a data-driven deep learning network to automatically classify soccer headers based on their linear acceleration profiles.
Droplet microfluidics-based high-throughput bacterial cultivation for validation of taxon pairs in microbial co-occurrence networks
Authors: Jiang Min-Zhi , Zhu Hai-Zhen , Zhou Nan , Liu Chang , Jiang Cheng-Ying , Wang Yulin , Liu Shuang-Jiang
Published: October 2022

Co-occurrence networks inferred from the abundance data of microbial communities are widely applied to predict microbial interactions. However, the high workloads of bacterial isolation and the complexity of the networks themselves constrained experimental demonstrations of the predicted microbial associations and interactions. Here, we integrate droplet microfluidics and bar-coding logistics for high-throughput bacterial isolation and cultivation from environmental samples, and experimentally investigate the relationships between taxon pairs inferred from microbial co-occurrence networks. We collected Potamogeton perfoliatus plants (including roots) and associated sediments from Beijing Olympic Park wetland. Droplets of series diluted homogenates of wetland samples were inoculated into 126 96-well plates containing R2A and TSB media. After 10 days of cultivation, 65 plates with > 30% wells showed microbial growth were selected for the inference of microbial co-occurrence networks. We cultivated 129 bacterial isolates belonging to 15 species that could represent the zero-level OTUs (Zotus) in the inferred co-occurrence networks. The co-cultivations of bacterial isolates corresponding to the prevalent Zotus pairs in networks were performed on agar plates and in broth. Results suggested that positively associated Zotu pairs in the co-occurrence network implied complicated relations including neutralism, competition, and mutualism, depending on bacterial isolate combination and cultivation time.
Viral metagenomics reveals persistent as well as dietary acquired viruses in Antarctic fur seals
Authors: Martínez-Puchol Sandra , Cardona Luis , Drago Massimiliano , Gazo Manel , Bofill-Mas Sílvia
Published: October 2022

Viruses linked to animals inhabiting Antarctic latitudes remain poorly studied. Remote environments hosting large pinniped populations may be prone to exposure of immunologically naïve animals to new infectious agents due to increasing human presence or introduction of new animal species. Antarctic fur seals (Arctocephalus gazella)inhabiting the Western Antarctic Peninsula and the South Shetland Islands are challenged because of climate change and increased anthropogenic activity. In the present study, the fecal and serum virome ofA. gazellawas characterized by applying target enrichment next generation sequencing. The resulting viromes were dominated by CRESS-DNA sequences. Viruses known to infect vertebrate and invertebrate hosts were also observed in fecal samples. Fur seal picornavirus was present in all the fecal pools studied suggesting it is a prevalent virus in these species. Six different viruses presenting similarities with previously describedA. gazellaviruses or other otariids and mammal viruses were identified as potential newA. gazellaviruses. Also, diet-derived viruses such as crustacean viruses were present in fecal content. Penguin viruses, but not fish viruses, were also detected. Obtained results contribute to a better understanding of the viral community present in these species, which is relevant for its conservation.
Shared mechanisms and crosstalk of COVID-19 and osteoporosis via vitamin D
Authors: Liu Fei , Song Chao , Cai Weiye , Chen Jingwen , Cheng Kang , Guo Daru , Duan Dayue Darrel , Liu Zongchao
Published: October 2022

Recently accumulated evidence implicates a close association of vitamin D (VitD) insufficiency to the incidence and clinical manifestations of the COVID-19 caused by severe acute respiratory syndrome coronavirus-2 (SARS-COV-2). Populations with insufficient VitD including patients with osteoporosis are more susceptible to SARS-COV-2 infection and patients with COVID-19 worsened or developed osteoporosis. It is currently unknown, however, whether osteoporosis and COVID-19 are linked by VitD insufficiency. In this study, 42 common targets for VitD on both COVID-19 and osteoporosis were identified among a total of 243 VitD targets. Further bioinformatic analysis revealed 8 core targets (EGFR, AR, ESR1, MAPK8, MDM2, EZH2, ERBB2 and MAPT) in the VitD-COVID-19-osteoporosis network. These targets are involved in the ErbB and MAPK signaling pathways critical for lung fibrosis, bone structural integrity, and cytokines through a crosstalk between COVID-19 and osteoporosis via the VitD-mediated conventional immune and osteoimmune mechanisms. Molecular docking confirmed that VitD binds tightly to the predicted targets. These findings support that VitD may target common signaling pathways in the integrated network of lung fibrosis and bone structural integrity as well as the immune systems. Therefore, VitD may serve as a preventive and therapeutic agent for both COVID-19 and osteoporosis.
Prediction of global omicron pandemic using ARIMA, MLR, and Prophet models
Authors: Zhao Daren , Zhang Ruihua , Zhang Huiwu , He Sizhang
Published: October 2022

Globally, since the outbreak of the Omicron variant in November 2021, the number of confirmed cases of COVID-19 has continued to increase, posing a tremendous challenge to the prevention and control of this infectious disease in many countries. The global daily confirmed cases of COVID-19 between November 1, 2021, and February 17, 2022, were used as a database for modeling, and the ARIMA, MLR, and Prophet models were developed and compared. The prediction performance was evaluated using mean absolute error (MAE), mean absolute percentage error (MAPE), and root mean square error (RMSE). The study showed that ARIMA (7, 1, 0) was the optimum model, and the MAE, MAPE, and RMSE values were lower than those of the MLR and Prophet models in terms of fitting performance and forecasting performance. The ARIMA model had superior prediction performance compared to the MLR and Prophet models. In real-world research, an appropriate prediction model should be selected based on the characteristics of the data and the sample size, which is essential for obtaining more accurate predictions of infectious disease incidence.
Artificial intelligence for strengthening healthcare systems in low- and middle-income countries: a systematic scoping review
Authors: Ciecierski-Holmes Tadeusz , Singh Ritvij , Axt Miriam , Brenner Stephan , Barteit Sandra
Published: October 2022

In low- and middle-income countries (LMICs), AI has been promoted as a potential means of strengthening healthcare systems by a growing number of publications. We aimed to evaluate the scope and nature of AI technologies in the specific context of LMICs. In this systematic scoping review, we used a broad variety of AI and healthcare search terms. Our literature search included records published between 1st January 2009 and 30th September 2021 from the Scopus, EMBASE, MEDLINE, Global Health and APA PsycInfo databases, and grey literature from a Google Scholar search. We included studies that reported a quantitative and/or qualitative evaluation of a real-world application of AI in an LMIC health context. A total of 10 references evaluating the application of AI in an LMIC were included. Applications varied widely, including: clinical decision support systems, treatment planning and triage assistants and health chatbots. Only half of the papers reported which algorithms and datasets were used in order to train the AI. A number of challenges of using AI tools were reported, including issues with reliability, mixed impacts on workflows, poor user friendliness and lack of adeptness with local contexts. Many barriers exists that prevent the successful development and adoption of well-performing, context-specific AI tools, such as limited data availability, trust and evidence of cost-effectiveness in LMICs. Additional evaluations of the use of AI in healthcare in LMICs are needed in order to identify their effectiveness and reliability in real-world settings and to generate understanding for best practices for future implementations.
Synchronization induced by directed higher-order interactions
Authors: Gallo Luca , Muolo Riccardo , Gambuzza Lucia Valentina , Latora Vito , Frasca Mattia , Carletti Timoteo
Published: October 2022

Non-reciprocal interactions play a crucial role in many social and biological complex systems. While directionality has been thoroughly accounted for in networks with pairwise interactions, its effects in systems with higher-order interactions have not yet been explored as deserved. Here, we introduce the concept ofM-directed hypergraphs, a general class of directed higher-order structures, which allows to investigate dynamical systems coupled through directed group interactions. As an application we study the synchronization of nonlinear oscillators on 1-directed hypergraphs, finding that directed higher-order interactions can destroy synchronization, but also stabilize otherwise unstable synchronized states.
Projected climate variability of internal waves in the Andaman Sea
Authors: Yadidya B. , Rao A. D.
Published: October 2022

The Andaman Sea, in the northeast Indian Ocean, is renowned for large-amplitude internal waves. Here, we use a global climate model (CanESM5) to investigate the long-term variability of internal waves in the Andaman Sea under a range of shared socioeconomic pathway (SSP) scenarios. SSPs are future societal development pathways related to emissions and land use scenarios. We project that mean values of depth-averaged stratification will increase by approximately 6% (SSP1-2.6), 7% (SSP2-4.5), and 12% (SSP5-8.5) between 1871-1900 and 2081-2100. Simulating changes in internal tides between the present (2015-2024) and the end-century (2091-2100), we find that the increase in stratification will enhance internal tide generation by approximately 4 to 8%. We project that the propagation of internal tides into the Andaman Sea and the Bay of Bengal will increase by 8 to 18% and 4 to 19%, respectively, under different SSP scenarios. Such changes in internal tides under global warming will have implications for primary production and ecosystem health not only in the Andaman Sea but also in the Bay of Bengal.
Presence of algal symbionts affects denitrifying bacterial communities in the sea anemone Aiptasia coral model
Authors: Xiang Nan , Rädecker Nils , Pogoreutz Claudia , Cárdenas Anny , Meibom Anders , Wild Christian , Gärdes Astrid , Voolstra Christian R
Published: October 2022

The coral-algal symbiosis is maintained by a constant and limited nitrogen availability in the holobiont. Denitrifiers, i.e., prokaryotes reducing nitrate/nitrite to dinitrogen, could contribute to maintaining the nitrogen limitation in the coral holobiont, however the effect of host and algal identity on their community is still unknown. Using the coral model Aiptasia, we quantified and characterized the denitrifier community in a full-factorial design combining two hosts (CC7 and H2) and two strains of algal symbionts of the family Symbiodiniaceae (SSA01 and SSB01). Strikingly, relative abundance of denitrifiers increased by up to 22-fold in photosymbiotic Aiptasia compared to their aposymbiotic (i.e., algal-depleted) counterparts. In line with this, while the denitrifier community in aposymbiotic Aiptasia was largely dominated by diet-associated Halomonas, we observed an increasing relative abundance of an unclassified bacterium in photosymbiotic CC7, and Ketobacter in photosymbiotic H2, respectively. Pronounced changes in denitrifier communities of Aiptasia with Symbiodinium linucheae strain SSA01 aligned with the higher photosynthetic carbon availability of these holobionts compared to Aiptasia with Breviolum minutum strain SSB01. Our results reveal that the presence of algal symbionts increases abundance and alters community structure of denitrifiers in Aiptasia. Thereby, patterns in denitrifier community likely reflect the nutritional status of aposymbiotic vs. symbiotic holobionts. Such a passive regulation of denitrifiers may contribute to maintaining the nitrogen limitation required for the functioning of the cnidarian-algal symbiosis.
Spatio-temporal dynamics of three diseases caused by Aedes-borne arboviruses in Mexico
Authors: Dong Bo , Khan Latifur , Smith Madison , Trevino Jesus , Zhao Bingxin , Hamer Gabriel L. , Lopez-Lemus Uriel A. , Molina Aracely Angulo , Lubinda Jailos , Nguyen Uyen-Sa D. T. , Haque Ubydul
Published: October 2022

Background

The intensity of transmission of Aedes-borne viruses is heterogeneous, and multiple factors can contribute to variation at small spatial scales. Illuminating drivers of heterogeneity in prevalence over time and space would provide information for public health authorities. The objective of this study is to detect the spatiotemporal clusters and determine the risk factors of three major Aedes-borne diseases, Chikungunya virus (CHIKV), Dengue virus (DENV), and Zika virus (ZIKV) clusters in Mexico.

Methods

We present an integrated analysis of Aedes-borne diseases (ABDs), the local climate, and the socio-demographic profiles of 2469 municipalities in Mexico. We used SaTScan to detect spatial clusters and utilize the Pearson correlation coefficient, Randomized Dependence Coefficient, and SHapley Additive exPlanations to analyze the influence of socio-demographic and climatic factors on the prevalence of ABDs. We also compare six machine learning techniques, including XGBoost, decision tree, Support Vector Machine with Radial Basis Function kernel, K nearest neighbors, random forest, and neural network to predict risk factors of ABDs clusters.

Results

DENV is the most prevalent of the three diseases throughout Mexico, with nearly 60.6% of the municipalities reported having DENV cases. For some spatiotemporal clusters, the influence of socio-economic attributes is larger than the influence of climate attributes for predicting the prevalence of ABDs. XGBoost performs the best in terms of precision-measure for ABDs prevalence.

Conclusions

Both socio-demographic and climatic factors influence ABDs transmission in different regions of Mexico. Future studies should build predictive models supporting early warning systems to anticipate the time and location of ABDs outbreaks and determine the stand-alone influence of individual risk factors and establish causal mechanisms.
Asymmetric Autocatalysis Initiated by Enantioenriched Chiral Organic Compounds: The Link Between Circularly Polarized Light and Nearly Enantiopure Organic Compounds
Authors: Kawasaki Tsuneomi , Matsumoto Arimasa , Soai Kenso
Published: October 2022

Various enantioenriched chiral compounds act as chiral initiators for asymmetric autocatalysis without sufficient enantiomeric excess (ee) and significant chiral directing power. Through the reaction between pyrimidine-5-carbaldehyde and diisopropylzinc in the presence of enantioenriched chiral compound, a highly enantioenriched 5-pyrimidyl alkanol can be synthesized with a corresponding absolute configuration to the handedness of the chiral compound thanks to the significant amplification of ee by asymmetric autocatalysis. Asymmetric autocatalysis is a powerful sensor for recognizing the chiral factor of target materials, thereby discriminating the hidden cryptochirality such as seen in chiral saturated quaternary hydrocarbons and isotactic polystyrene, a highly enantioenriched 5-pyrimidyl alkanol with an easily analyzable chiral carbon center can be synthesized as a reaction outcome. Moreover, chiral compounds whose enantioimbalance is induced by the irradiation of circularly polarized light (CPL) can act as a chiral initiator for the asymmetric autocatalysis of 5-pyrimidyl alkanol. Thus, CPL is linked with an enantiomerically pure organic compound, mediated by asymmetric autocatalysis with amplification of ee. Therefore, CPL can be an origin of homochirality of organic compounds in conjunction with asymmetric autocatalysis.
Asymmetric Autocatalysis Triggered by the Chirality of Minerals, Organic Crystals, and Surfaces
Authors: Matsumoto Arimasa , Kawasaki Tsuneomi , Soai Kenso
Published: October 2022

The crystal chirality and surface chirality of achiral compounds is an attractive topic not only for the development of chiral separation and detection techniques but also for the study of the origin of homochirality. The phenomenon of achiral compounds forming chiral crystals is not that rare. Even in the case of chiral crystals, if we focus on the surface chirality, few substances have no chirality at all. In this chapter, we will show that the chirality of crystals and surfaces can act as the origin of molecular chirality by leveraging the high chiral amplification of asymmetric autocatalysis.
Mechanism of the Soai Reaction – DFT and Kinetic Computations of the Catalytic Cycle
Authors: Gridnev Ilya D. , Vorobiev Andrey Kh. , Bogdanov Alexey V.
Published: October 2022

This chapter surveys the results of quantum chemical calculations and kinetic measurements of the Soai reaction presented in the literature. Two computed mechanisms are compared. Contradictions and weaknesses of available kinetic data, as well as the lack of reliable experimental results are illuminated. Possible ways to overcome this shortage are discussed.
Demystifying the Soai Reaction
Authors: Athavale Soumitra V. , Denmark Scott E.
Published: October 2022

Displaying robust asymmetric amplification, extraordinary sensitivity toward initial chiral imbalances, a capacity for statistical symmetry breaking, and a natural predisposition to evolve towards homochirality, the sui generis Soai reaction stands as a monumental challenge for mechanistic elucidation. The recent discovery of amplifying autocatalysis in a related pyridine system proved that only one nitrogen atom is necessary for the Soai phenomenon. Spectroscopic enquiries led to a ‘pyridine assisted cube-escape’ model for the generation of the active square-macrocycle-square (SMS) tetrameric alkoxide aggregate. Further kinetic and computational studies suggested that this homochiral cluster facilitates enantioselective alkylation of the substrate through a floor-to-floor binding pathway. Such binding is naturally precluded in the heterochiral tetramer, providing a basis for the non-linear effect in the reaction. The strategy of mixed catalyst–substrate experiments provided an opportunity to dissect structural contributions in the Soai reaction and revealed new aspects of (auto)catalyst function. Finally, a study of three related autocatalytic systems allowed an assessment of the role played by the strength of nitrogen–zinc interactions in influencing autocatalytic progression. By providing a logic for autocatalyst evolution and function, these findings address longstanding questions about the Soai reaction and provide new observations that should stand as a test for alternative mechanistic proposals.
Elucidation of Soai's Asymmetric Autocatalysis
Authors: Trapp Oliver
Published: October 2022

Soai's asymmetric autocatalysis is a highly fascinating and striking reaction, showing spontaneous symmetry breaking and amplification of the enantiomeric excess triggered by a small imbalance in the enantiomeric excess of the added product alcohol, many chiral additives or even enantiomorphic surfaces. Understanding the reaction mechanism is of fundamental interest, because it provides not only a conceptional explanation for symmetry breaking, leading to homochirality, but paves the avenue to the design of Soai-type asymmetric autocatalytic reactions to broaden the reaction scope. In this chapter the experimental results of detailed kinetic analyses and in situ reaction analysis by high-resolution Orbitrap mass spectrometry are summarized. These results and structural proof of the formation of a transient hemiacetalate complex allowed us to propose a catalytic reaction cycle that explains the autocatalytic amplification involving these hemiacetal complexes. Detailed kinetic measurements, investigation of the hemiacetal formation equilibria by NMR spectroscopy and comprehensive kinetic analysis provides a mechanistic model of the Soai reaction allowing the precise prediction of the reaction progress, the enantiomeric excess as well as the enantiomeric excess dependent time shift in the induction period. Furthermore, the experimental structural data give insights into the privileged properties of the pyrimidyl moieties and the efficient amplification of even minimal enantiomeric excesses, respectively.
Unusual Aspects of Asymmetric Induction and Amplification Observed in the Soai Reaction
Authors: Kawasaki Tsuneomi , Matsumoto Arimasa , Soai Kenso
Published: October 2022

Asymmetric autocatalysis, that is, the Soai reaction, has an enormous power to amplify the chiral effects of catalysts or ligands. Although they can control the enantioselectivity in asymmetric reactions, their sense of enantioselectivity might be changed by the influence of other factors, such as achiral/chiral additives and reaction temperature. Asymmetric autocatalysis with amplification of enantiomeric excess (ee) can sensitively detect and enhance such factors as seemingly unusual chiral effects to give highly enantioenriched (S)- or (R)-5-pyrimidyl alkanols, even though the influence is slight. Moreover, while examining the asymmetric autocatalysis of bis(pyrimidyl alkanols) with conformationally flexible long alkyl spacers, rapid enhancement of ee was observed with a remarkable decrease of the fraction of meso-compounds in the reaction products. Thus, ultra-remote intramolecular 1,39-asymmetric induction, based on the principle of the direct orientation of catalytic and reactive moieties, is discussed in this chapter.
Simultaneous determination of deuterium-labeled ergosterol and brassicasterol in stroke-prone spontaneously hypertensive rats by ultra-high performance liquid chromatography-electrospray ionization-tandem mass spectrometry
Authors: Machida Koichi , Koseki Yuji , Kotani Akira , Yamamoto Kazuhiro , Miura Tsuyoshi , Hakamata Hideki
Published: October 2022

A highly sensitive LC-MS/MS method disclosed that deuterium-labeled brassicasterol in serum was increased in a time-dependent manner, when deuterium-labeled ergosterol was orally administrated to stroke-prone spontaneously hypertensive rats.
Hydrophobicity and dielectric properties across an isostructural family of MOFs: a duet or a duel?
Authors: Sorbara Simona , Mukherjee Soumya , Schneemann Andreas , Fischer Roland A. , Macchi Piero
Published: October 2022

Impedance spectroscopy measurements are combined with surface and pore hydrophobicity signatures to offer a new protocol for examining hydrophobic solids.
Colorimetric and electrochemical integrated dual-mode detection of glucose by utilizing CoOOH@Cu nanosheets as peroxidase mimetics
Authors: Cheng Hong , Wang Zhaoyang , Sun Huanhuan , Chen Biao , Huang Jin , Jia Ruichen , He Xiaoxiao , Wang Kemin
Published: October 2022

We developed a colorimetric and electrochemical integrated dual-mode assay with OPD as signal reporter. The CoOOH@Cu nanosheets as peroxidase mimetics could couple with GOx to monitor the change of glucose level.
Cobalt phthalocyanine sensitized MOF on MOF: UiO-66@MIL-88B(Fe)/CoTAPc, photocatalytic activity in the degradation of acid black 210
Authors: Yan Boyi , Wang Na , Sun Zhongqiao , Han Yide , Meng Hao , Xu Yan , Zhang Xia
Published: October 2022

A novel photocatalyst is composed of UiO-66 as the core, MIL-88B(Fe) as the petal, and tiny CoTAPc well anchored on the surface.
A new route for enantio-sensitive structure determination by photoelectron scattering on molecules in the gas phase
Authors: Fehre Kilian , Novikovskiy Nikolay M. , Grundmann Sven , Kastirke Gregor , Eckart Sebastian , Trinter Florian , Rist Jonas , Hartung Alexander , Trabert Daniel , Janke Christian , Pitzer Martin , Zeller Stefan , Wiegandt Florian , Weller Miriam , Kircher Max , Nalin Giammarco , Hofmann Max , Schmidt Lothar Ph. H. , Knie André , Hans Andreas , Ben Ltaief Ltaief , Ehresmann Arno , Berger Robert , Fukuzawa Hironobu , Ueda Kiyoshi , Schmidt-Böcking Horst , Williams Joshua B. , Jahnke Till , Dörner Reinhard , Demekhin Philipp V. , Schöffler Markus S.
Published: October 2022

Combination of Coulomb explosion imaging, molecular frame diffraction imaging, and ab initio computations provide a route for enantio-sensitive structure determination.
New trends and challenges in surface phenomena, carbon nanostructures and helium droplets – Festschrift for Giorgio Benedek
Authors: Bernasconi Marco , Muiño Ricardo Díez , Echenique Pedro Miguel , Manson Joseph R. , Miret-Artés Salvador , Toennies J. Peter
Published: October 2022

This themed collection includes a collection of articles on new trends and challenges in surface phenomena, carbon nanostructures and helium droplets.
DFT based microkinetic modeling of confinement driven [4 + 2] Diels–Alder reactions between ethene and isoprene in H-ZSM5
Authors: Rzepa Christopher , Rangarajan Srinivas
Published: October 2022

Diels–Alder reactions between ethene and isoprene can be catalyzed on the Brønsted acid sites of H-ZSM5 primarily due to confinement.
Risk for the release of an enormous amount of nanoplastics and microplastics from partially biodegradable polymer blends
Authors: Wei Xin-Feng , Hedenqvist Mikael S. , Zhao Luyao , Barth Andreas , Yin Haiyan
Published: October 2022

Non-biodegradable polymers are released as microplastics into the environments during the biodegradation of partially biodegradable polymer blends.
Valorisation of phenols to coumarins through one-pot palladium-catalysed double C–H functionalizations
Authors: Brufani Giulia , Valentini Federica , Sabatelli Flavio , Di Erasmo Benedetta , Afanasenko Anastasiia M. , Li Chao-Jun , Vaccaro Luigi
Published: October 2022

Herein a one-pot double C–H functionalization for constructing C8-alkyl substituted coumarins from phenols is reported. For the first time Pd/C as heterogenous catalyst was used to enable the synthesis of structurally divers coumarins.
Effect of P on hydrodeoxygenation performance of Ni–P/SiO2 catalysts for upgrading of m-cresol
Authors: Wang Jing , Zhang Mei , Li Feng , Wang Huan , Chen Yanguang , Song Hua
Published: October 2022

Ni–P/SiO2-1.0 exhibited much higher MCH selectivity than Ni/SiO2, which is due to the increase in acidity caused by the introduction of P.
Engineering atomic Fe–N–C with adjacent FeP nanoparticles in N,P-doped carbon for synergetic oxygen reduction and zinc–air battery
Authors: Luan Xiujuan , Bian Weiwei , Guo Di , Wang Bin , Tan Wei , Peng Fujun , Zhou Baolong
Published: October 2022

FeP-900 doped with transition metals (FeP and Fe–N–C) and heteroatoms (N,P) was prepared via pyrolysis of a conjugated microporous polymer constituted by Fe–phthalocyanine and cyclotriphosphazene, in which FeP was wrapped in N,P-rich carbon matrix.
Molecular states and spin crossover of hemin studied by DNA origami enabled single-molecule surface-enhanced Raman scattering
Authors: Dutta Anushree , Tapio Kosti , Suma Antonio , Mostafa Amr , Kanehira Yuya , Carnevale Vincenzo , Bussi Giovanni , Bald Ilko
Published: October 2022

The study of biologically relevant molecules and their interaction with external stimuli on a single molecular scale is of high importance due to the availability of distributed rather than averaged information.
Microstructure-regulated inverted pyramidal Si photocathodes for efficient hydrogen generation
Authors: Liu Yumeng , Zhao Shuai , Zhang Di , Liu Zhiqiang , Yuan Guodong
Published: October 2022

Formation of micro-pits and regulation of inverted pyramid arrays are first studied for efficient hydrogen generation.
Effect of the physicochemical changes in the antimicrobial durability of green synthesized silver nanoparticles during their long-term storage
Authors: Habibullah Giyaullah , Viktorova Jitka , Ulbrich Pavel , Ruml Tomas
Published: October 2022

A new method for light induced green synthesis of silver nanoparticles that supports long-term stability. Elevation of oxidation and dissolution levels with time directly impacts the long-term stability and antimicrobial durability.
Investigation of the synergistic effect of nonionic surfactants on emulsion resolution using response surface methodology
Authors: Raya Sofiah Atirah , Saaid Ismail Mohd , Mohd Aji Aminah Qayyimah , A Razak Ahmad Amirhilmi
Published: October 2022

Response surface methodology (RSM) plot of formulation optimization showing the effect of variables on hexitol and glycol. Response surface plots of the predicted stability as a function of hexitol and glycol.
Synthesis of novel chiral spiro-β-lactams from nitrile oxides and 6-(Z)-(benzoylmethylene)penicillanate: batch, microwave-induced and continuous flow methodologies
Authors: Alves Américo J. S. , Silvestre João A. D. , Pinho e Melo Teresa M. V. D.
Published: October 2022

The first examples of the diastereoselective 1,3-dipolar cycloaddition reaction of nitrile oxides and 6-alkylidene penicillanates leading to chiral spiroisoxazoline-penicillanates are reported.
Probing elemental speciation in hydrochar produced from hydrothermal liquefaction of anaerobic digestates using quantitative X-ray diffraction
Authors: Sudibyo Hanifrahmawan , Tester Jefferson W.
Published: October 2022

Understanding elemental speciation in the hydrothermal liquefaction-derived hydrochar paves the way for more profitable and sustainable wet biomass waste biorefineries.
Multifunctional, superhydrophobic and highly elastic MXene/bacterial cellulose hybrid aerogels enabled via silylation
Authors: Zhao Daqiang , Dang Le-Yang , Wang Gui-Gen , Sun Na , Deng Xianyu , Han Jie-Cai , Zhu Jia-Qi , Yang Ya
Published: October 2022

Silylated MXene/BC aerogels demonstrate great potential for practical applications, considering the simultaneous realization of high electrical conductivity, superior hydrophobicity, and excellent reversible compressibility.
Graphene oxide wrapped hollow mesoporous carbon spheres as a dynamically bipolar host for lithium–sulfur batteries
Authors: Zhe Rongjie , Zhu Ting , Wei Xianhe , Ren Yuanfu , Qing Chen , Li Neng , Wang Hong-En
Published: October 2022

An all-carbon based composite composed of hollow mesoporous carbon covered with graphene oxide sheets has been designed as a novel dynamically bipolar cathode host for lithium–sulfur batteries with impressive electrochemical performances.
A recyclable, adhesive and fast self-healable ionic conducting elastomer based on a poly-zwitterionic liquid for soft iontronics
Authors: Li Longwei , Wang Jing , Yang Kai , Guo Zi Hao , Zhang Jingmin , Pu Xiong
Published: October 2022

We prepared an impressive recyclable, adhesive and fast self-healable ionic conducting elastomer and found that weak interaction of noncovalent crosslink was effective for recyclable and self-healable ionic conductors.
High thermal stability phosphors with a rigid structure similar to the benzene ring and application in plant growth
Authors: Zhang Xibao , Dong Langping , Zhang Liang , Xu Yonghui , Wu Xiudi , Yin Shuwen , Zhong Chuansheng , You Hongpeng
Published: October 2022

A new phosphor with ultra-narrow emission band, high thermostability and a rigid net structure similar to benzene ring was investigated, which has potential applications in pc-LED for plant growth.