bluuebunny/crossref_metadata_2025_split huggingface dataset:
A combined experimental and computational approach for the rationalization of the catalytic activity of lipase B from Candida antarctica in water–organic solvent mixtures
Authors: Vetrano Alice , Daidone Isabella , Spreti Nicoletta , Capone Matteo 
Published: June 2023

AbstractBackgroundThe addition of organic solvents to an aqueous medium for enzymatic reactions offers several advantages, as they can increase the solubility of substrates but can also lead to enzyme inactivation and/or aggregation.ResultsThe effect of adding 30% of several water‐soluble organic solvents on the catalytic activity of lipase B from Candida antarctica (CalB) was studied and the results showed that the highest activity was obtained with the addition of t‐butanol. t‐Butanol and acetonitrile were selected and the kinetic parameters, determined to deepen their effect on CalB activity, showed that the addition of acetonitrile improved the enzyme–substrate affinity, while water–t‐butanol mixtures led to a more than ninefold increase in kcat. To rationalize at a molecular level the kinetic results, molecular dynamic simulations were performed. Analysis of the accessibility of the active‐site cavity, solvent occupancy in the site and in the oxyanion hole, and the stability of the catalytic triad in the two solvent mixtures, provided insight into their effects on the catalytic properties of CalB.ConclusionThe lower occupancy in the oxyanion hole of water molecules and a shorter residence time in the active site of acetonitrile molecules in the acetonitrile–water mixture contribute to the higher enzyme–substrate affinity found experimentally. Conversely, the higher kcat in the t‐butanol mixture is explained by the higher stability of the catalytic triad and by an increase in the nucleophilicity of the catalytic serine due to the persistent presence of t‐butanol molecules in the active site. © 2023 The Authors. Journal of Chemical Technology and Biotechnology published by John Wiley & Sons Ltd on behalf of Society of Chemical Industry (SCI).
Steroidogenic potential of the gonad during sex differentiation in the rice field frog Hoplobatrachus rugulosus (Anura: Dicroglossidae)
Authors: Traijitt Thrissawan , Jaroenporn Sukanya , Nagasawa Kazue , Osada Makoto , Kitana Noppadon , Kitana Jirarach 
Published: June 2023

AbstractPrior studies demonstrated that gonadal differentiation in the rice field frog, Hoplobatrachus rugulosus, was of an undifferentiated type since all individuals had ovaries at complete metamorphosis. However, the steroidogenic potential of the gonad is still unknown. In this study, H. rugulosus were obtained by stimulating fertilization in the laboratory under natural light and temperature conditions. The gonads were collected and their steroidogenic potential was evaluated by determining the expression level of messenger RNA (mRNA) encoding for cytochrome P450 17‐hydroxylase/C17–20 lyase (CYP17) and cytochrome P450 aromatase (CYP19) using quantitative real‐time RT‐PCR and the localization of CYP17 mRNA in tissues by in situ hybridization. The CYP17 mRNA levels in males at 4–11 weeks postmetamorphosis were higher than in female and intersex gonads. This corresponded to their localization in the gonadal tissues, where CYP17 signals were specifically detected in the Leydig cells of the testis at 5–16 weeks postmetamorphosis but was undetectable in all ovary samples. The CYP19 mRNA levels in females at 4–11 weeks postmetamorphosis was higher than in male and intersex gonads, which corresponded with gonadal development, indicating the potential steroidogenic function of the ovary. Based on the present results, the role of CYP17 and CYP19 mRNA in sex differentiation in H. rugulosus may occur after gonadal sex differentiation and the steroidogenic potential of the gonads exhibited a sexual dimorphic pattern. These results provide a crucial basis for further research on the developmental biology in anuran species.
Sequencing of monkeypox virus from infected patients reveals viral genomes with APOBEC3‐like editing, gene inactivation, and bacterial agents of skin superinfection
Authors: Colson Philippe , Penant Gwilherm , Delerce Jeremy , Boschi Céline , Wurtz Nathalie , Bedotto Marielle , Branger Stéphanie , Brouqui Philippe , Parola Philippe , Lagier Jean‐Christophe , Cassir Nadim , Tissot‐Dupont Hervé , Million Matthieu , Aherfi Sarah , La Scola Bernard 
Published: June 2023

AbstractA large outbreak of Monkeypox virus (MPXV) infections has arisen in May 2022 in nonendemic countries. Here, we performed DNA metagenomics using next‐generation sequencing with Illumina or Nanopore technologies for clinical samples from MPXV‐infected patients diagnosed between June and July 2022. Classification of the MPXV genomes and determination of their mutational patterns were performed using Nextclade. Twenty‐five samples from 25 patients were studied. A MPXV genome was obtained for 18 patients, essentially from skin lesions and rectal swabbing. All 18 genomes were classified in clade IIb, lineage B.1, and we identified four B.1 sublineages (B.1.1, B.1.10, B.1.12, B.1.14). We detected a high number of mutations (range, 64−73) relatively to a 2018 Nigerian genome (genome GenBank Accession no. NC_063383.1), which were harbored by a large part of a set of 3184 MPXV genomes of lineage B.1 recovered from GenBank and Nextstrain; and we detected 35 mutations relatively to genome ON563414.3 (a B.1 lineage reference genome). Nonsynonymous mutations occurred in genes encoding central proteins, among which transcription factors and core and envelope proteins, and included two mutations that would truncate a RNA polymerase subunit and a phospholipase d‐like protein, suggesting an alternative start codon and gene inactivation, respectively. A large majority (94%) of nucleotide substitutions were G > A or C > U, suggesting the action of human APOBEC3 enzymes. Finally, >1000 reads were identified as from Staphylococcus aureus and Streptococcus pyogenes for 3 and 6 samples, respectively. These findings warrant a close genomic monitoring of MPXV to get a better picture of the genetic micro‐evolution and mutational patterns of this virus, and a close clinical monitoring of skin bacterial superinfection in monkeypox patients.
Time‐series transcriptome analysis of peripheral blood mononuclear cells obtained from individuals who received the SARS‐CoV‐2 mRNA vaccine
Authors: Watanabe Yoshiyuki , Yamamoto Hiroyuki , Matsuba Ikuro , Watanabe Karin , Kunishima Tomoyuki , Takechi Yukako , Takuma Tetsuo , Araki Yasushi , Hirotsu Nobuo , Sakai Hiroyuki , Oikawa Ritsuko , Danno Hiroki , Fukuda Masakazu , Sugino Ryuichi , Futagami Seiji , Wada Kota , Itoh Fumio , Tateishi Keisuke , Oda Ichiro , Hatori Yutaka , Degawa Hisakazu 
Published: June 2023

AbstractMessenger ribonucleic acid (mRNA) vaccination against coronavirus disease 2019 (COVID‐19) is an effective prevention strategy, despite a limited understanding of the molecular mechanisms underlying the host immune system and individual heterogeneity of the variable effects of mRNA vaccination. We assessed the time‐series changes in the comprehensive gene expression profiles of 200 vaccinated healthcare workers by performing bulk transcriptome and bioinformatics analyses, including dimensionality reduction utilizing the uniform manifold approximation and projection (UMAP) technique. For these analyses, blood samples, including peripheral blood mononuclear cells (PBMCs), were collected from 214 vaccine recipients before vaccination (T1) and on Days 22 (T2, after second dose), 90, 180 (T3, before a booster dose), and 360 (T4, after a booster dose) after receiving the first dose of BNT162b2 vaccine (UMIN000043851). UMAP successfully visualized the main cluster of gene expression at each time point in PBMC samples (T1–T4). Through differentially expressed gene (DEG) analysis, we identified genes that showed fluctuating expression levels and gradual increases in expression levels from T1 to T4, as well as genes with increased expression levels at T4 alone. We also succeeded in dividing these cases into five types based on the changes in gene expression levels. High‐throughput and temporal bulk RNA‐based transcriptome analysis is a useful approach for inclusive, diverse, and cost‐effective large‐scale clinical studies.
HSP90: A potential drug target in inflammatory skin diseases
Authors: Rittig A. H. , Bregnhøj A. , Johansen C. , Iversen L. 
Published: June 2023

AbstractHeat shock protein 90 (HSP90) is a chaperone protein belonging to the HSP family. HSP90 modulates clients by stabilising, folding, maturing, and tagging clients for proteasomal degradation. Several clients of HSP90 are involved in cancer development and HSP90 is required for some oncoproteins, making HSP90 a potential target in anticancer treatment. Recently HSP90 has also been suggested as a potential drug target in inflammatory skin diseases based on both in vitro and in vivo studies in animal models and human clinical trials. The role of HSP90 in blistering skin diseases has been studied in vitro, ex vivo, and in vivo using animal models. Human clinical studies investigating HSP90 inhibition in psoriasis and hidradenitis suppurativa have either been conducted or are ongoing and in vitro and ex vivo studies have investigated the role of HSP90 in systemic lupus erythematosus and diffuse cutaneous systemic sclerosis. Here, we review the current literature investigating the role of HSP90 in these diseases.
University board composition and institutional outcomes
Authors: Coffey Katherine , Monks James 
Published: June 2023

AbstractNumerous studies examine corporate boards of directors' composition and firm performance. Far less is known about the factors influencing university boards' composition and university outcomes. This paper fills this void by examining the relationship between university board selection processes and constituent representation, board composition in terms of size and demographic composition, and the influence of board composition on institutional outcomes. We find that institutional sector, Carnegie classification, and wealth predict board size, and that institutions with larger boards tend to have more favorable institutional outcomes. Board gender and racial composition is less correlated with outcomes than is board size.
Relationship between work engagement and healthy work environment among Chinese ICU nurses: The mediating role of psychological capital
Authors: Xue Xiujuan , Qiao Jianhong , Li Yupei , Zhang Qiuyue , Wang Yeqing , Wang Jianhao , Xu Cuiping 
Published: June 2023

AbstractAimTo evaluate the relationship between healthy work environment and work engagement considering the effect of psychological capital among ICU nurses.DesignThe study was cross‐sectional design.MethodsThe subjects were 671 registered nurses from 20 ICUs in 18 general hospitals in Shandong province between October 2021 and December 2021. The questionnaires testing nurses' perception of healthy work environment, their work engagement, and psychological capital were used. Structural equation modeling was used to explore their relationship.ResultsWork engagement was positively affected by a healthy work environment and psychological capital. The structural equation modeling showed psychological capital mediated the relationship between healthy work environment and their work engagement.Patient or Public ContributionThere were 681 clinical nurses reported at public contribution for responding to the questionnaires and providing valuable data for the study and there was no patient contribution in this study.
Changing the landscape of automotive 3D sensing
Authors: Everett Matthew , Skidmore Jay , Ju Alex 
Published: June 2023

AbstractVCSEL‐based lidar solutions can accelerate the adoption of ADAS – and ultimately, fully autonomous vehicles – by providing higher performance, greater efficiency, increased accuracy, and higher reliability at a lower cost, compared to existing systems. The flexibility of VCSEL technology makes these systems suitable for 3D sensing applications throughout the car, including in‐cabin sensing, short‐range sensing (<1 m), and long‐range sensing (>200 m).
Identification and functional characterization of eight novel tpp family genes from Bacillus thuringiensis
Authors: Cao Beibei , Sun Xiaoni , Shu Changlong , Geng Lili , Zhang Jie 
Published: June 2023

AbstractBACKGROUNDBacillus thuringiensis (Bt) and its transgenic crops are widely used as biological control agents for agricultural pests. The tpp family is a branch of Bt insecticidal genes and consists of a few members. Research on the Tpp family proteins has focused on the binary toxins Gpp34Ab/Tpp35Ab and Tpp1/Tpp2, which need to function together to achieve insecticidal activity. However, only a few tpp family genes have been reported to exert insecticidal activity independently. This study aimed to identify and characterize tpp family genes that independently perform insecticidal functions.RESULTSA total of 162 nucleotide sequences homologous to the single component Bt insecticidal gene tpp78Aa were obtained from the genome data of 1368 wild‐type Bt strains, and 25 new full‐length tpp family genes were identified. Eight new tpp family genes were successfully cloned and expressed, and bioassays of the expressed products were performed against five different pests. Bioassay results showed that these proteins exerted high insecticidal activity only against Laodelphax striatellus, a globally important rice pest, and were named Tpp78Ab1, Tpp78Bb1, Tpp78Ca1, Tpp78Da1, Tpp80Aa3, Tpp80Ac1, Tpp80Ad1, and Tpp80Ae1. The LC50 values of Tpp78Ab1, Tpp78Bb1, Tpp78Ca1, and Tpp80Ae1 against L. striatum were 8.1, 8.6, 10.1, and 9.6 μg mL−1, respectively. The phylogenetic tree and conserved motifs indicated that the Tpp family had a common evolutionary ancestor. During evolution, the C‐terminal pore‐forming domain of the Tpp family adopted a similar arrangement; however, the N‐terminal conserved motif showed high variability.CONCLUSIONTwenty‐five full‐length tpp family genes were identified. Eight new tpp family genes were cloned successfully, which could independently achieve insecticidal activity against L. striatellus. This provides abundant genetic resources for the biological control of important rice pests. In this study, we found that the relative conservation of the Tpp family proteins in the lengthy evolutionary process and the diversity generated for adapting to the environment can lay a theoretical foundation for an in‐depth analysis of the function and evolution of the Tpp family. © 2023 Society of Chemical Industry.
Dynamics of spatial and temporal population structure of Pyricularia oryzae in Taiwan
Authors: Chen Yi‐Nian , Wu Dong‐Hong , Chen Mei‐Chun , Hsieh Meng‐Ting , Jwo Woei‐Shyuan , Lin Guo‐Cih , Chen Rong‐Kuen , Chou Hau‐Ping , Chen Pei‐Chen 
Published: June 2023

AbstractBACKGROUNDTo gain a better understanding of how Pyricularia oryzae population shifts is important for selecting suitable resistance genes for rice breeding programs. However, the relationships between P. oryzae pathogenic dynamics, geographic distribution, rice varieties, and timeline are not well studied.RESULTSResistance genes Piz‐5, Pi9(t), Pi12(t), Pi20(t), Pita‐2, and Pi11 showed stable resistance to the Taiwan rice blast fungus over 8 years of observations. Furthermore, 1749 rice blast isolates were collected from 2014 to 2021 and categorized into five pathotype clusters based on their correlation analysis between the geographic sources and virulence of Lijiangxintuanheigu monogenic lines. A detailed map of their distributions in Taiwan is presented. Isolates collected from the western region of Taiwan had greater pathotype diversity than those from the east region. Isolates collected from the subtropical region had greater diversity than those from the tropical region. Rice cultivars carrying Pik alleles were highly susceptible to pathotype L4. Cultivars with Piz‐t were highly susceptible to pathotype L5, and those with Pish were highly susceptible to pathotype L1. The geographical distribution of each pathotype was distinct, and the population size of each pathotype fluctuated significantly each year.CONCLUSIONThe regional mega cultivars significantly impact the evolution of Pyricularia oryzae in Taiwan within the span of 8 years. However, the annual fluctuation of pathotype populations likely correlate to the rising annual temperatures that selected pathotype clusters by their optimal growth temperature. The results will provide useful information for effective disease management, and enable the R‐genes to prolong their function in the fields. © 2023 Society of Chemical Industry.
What's keeping kids up at night? How psychosocial stressors exacerbate the relationship between sleep and mental health
Authors: Malika Nipher , Van Dyk Tori R. , Alemi Qais , Belliard Juan Carlos , Fisher Catherine , Ortiz Larry , Montgomery Susanne 
Published: June 2023

AbstractBackgroundAlthough it is well established that healthy sleep promotes positive mental health, little is known about how sleep operates in children and adolescents who experience a range of psychosocial stressors. This study examined the association between sleep duration and serious mental illness (SMI) and how this pathway is moderated by psychosocial stressors (discrimination, bullying, and perceived school and neighborhood safety).MethodsA cross‐sectional study was conducted among students in a California school district serving a low‐income community in 2019–2020. A non‐probability convenience sampling method was used, and surveys were administered in English, in a single class period. Basic descriptive statistics and a hierarchical linear regression analysis were used.ResultsStudents (n = 24,439) in grades 5–12 were surveyed. An average of 18.7% of the students reported having SMI; however, distribution increased by grade from 13.6% in 5th grade to 24.5% in 11th grade. Sleep duration was inversely associated with SMI, as the hours of sleep decreased, the risk of SMI increased. The negative effect of poor sleep on SMI was further exacerbated by perceived discrimination at school (β = 0.13, p < 0.001), feeling unsafe in one's neighborhood (β = 0.32, p < 0.001), feeling unsafe at school (β = 0.23, p < 0.001), and being bullied at school (β = 0.54, p < 0.001).ConclusionThis study was demonstrated that increased sleep among children and adolescents was associated with reduced SMI. However, in the presence of psychosocial stressors (discrimination, bullying, and perceived school and neighborhood safety), the effect of sleep on SMI was moderated and despite increased sleep.
Metal‐Free, Oxidative Condensation of Heteroaryl‐ and Aryl Carbaldehydes towards Functionalized Carbonitriles
Authors: Agyei Eric A. , Carrick Jesse D. 
Published: June 2023

AbstractFunctionalization of pyridines with the carbonitrile group for advanced cyclization reactions routinely incorporates metals, toxic oxidants, and cyanide reagents, often in linear synthetic sequences. Motivated by the strategic need of a heteroaryl carbonitrile synthon for further elaboration, we disclose an efficient, metal‐free, one‐pot reaction sequence that uses ammonium acetate as the nitrogen source and bis‐acetoxyiodobenzene as the oxidant with low loadings. The developed method tolerates a diverse substrate scope including heteroaryl, aryl, and alkyl substrates with similar efficiency and expands the practitioner's reaction. Method development, optimization, substrate scope, preliminary mechanistic observations, competition experiments, and a scale up reaction are delineated herein.
2D Nano Covalent Organic Frameworks – A Porous Polymeric Promising Material Exploring New Prospects of Drug Delivery in Cancer Therapeutics
Authors: Chandran Akash , Abhirami N. , Sudhina S. , Chandran Mahesh , Janeesh P. A. 
Published: June 2023

AbstractCancer is one of the leading causes of death worldwide. Despite there are numerous treatments available for cancer therapy, early detection and efficient treatment with least side effects is still challenging. Covalent organic frameworks (COFs) are emerging crystalline porous polymeric material comprised of light weight atoms like H, B, C, N and O. The Unique characteristics of COFs is its porosity, large surface area and bio‐compatibility which makes them a suitable candidate for potential biomedical applications especially in cancer therapeutics, through targeted drug delivery. This review focused on general introduction of porous materials, history of COFs, an overview on cancer, brief discussion on the various synthetic strategies, dynamic linkages in COFs and potential biomedical application of COFs such as targeted drug delivery, photo thermal therapy (PTT) and photodynamic therapy (PDT). This review aims to provide in‐depth knowledge about COFs and its application in cancer therapeutics.
A liquid chromatography‐tandem mass spectrometry method for the analysis of sucralose and five glycoside sweeteners
Authors: Moldoveanu Serban C. 
Published: June 2023

AbstractThe present study describes sensitive liquid chromatography‐tandem mass spectrometry methods for the analysis of sucralose, mogroside V, neohesperidin dihydrochalcone, rebaudioside A, stevioside, and glycyrrhizic acid. All these compounds are used as sugar substitutes in food, beverages, and dietary supplements, and can be present in environmental and biological samples. The method describes the quantitation at levels as low as 10 ng/ml with a signal‐to‐noise significantly higher than 10 for the lowest standard, indicating a very low limit of quantification for all analytes. The method uses positive ionization liquid chromatography‐tandem mass spectrometry with the molecular ion [M + Cs]+ and Cs+ fragment ion (M is the analyte). The molecular ion [M + Cs]+ is generated by adding a low level of Cs+ in the mobile phase of high‐performance liquid chromatography separation. The advantages obtained using [M + Cs]+ as molecular ions are related to the high sensitivity and simplicity of the method compared to other liquid chromatography‐tandem mass spectrometry procedures. As proof of functionality, the method was utilized for the analysis of sweeteners in several energy drinks. The high sensitivity of the liquid chromatography‐tandem mass spectrometry method was not needed for this type of analysis but for samples with low levels of sweeteners, the method can be highly beneficial.
Experimental and analytical studies on shrinkage and creep behavior of RC walls and prisms
Authors: Shariff Mohammad Najeeb , Menon Devdas , Saravanan Umakanthan 
Published: June 2023

AbstractA component level experimental study has been carried out on four reinforced concrete (RC) walls subjected to a sustained compressive load for a period of 1 year and shrinkage tests on 10 prisms under ambient environmental conditions. Two extreme longitudinal reinforcement percentages and two grades of concrete were considered and their influence on the time‐dependent behavior studied. It was observed that both longitudinal percentage of steel and concrete grade have a significant influence on the time‐dependent strains. The evolution of time‐dependent strain in RC member was also predicted, adequately accounting for the effect of reinforcement, using a theoretical model which can employ any linear viscoelastic constitutive law for concrete and a linear elastic constitutive law for reinforcing steel. The ACI 209 and fib MC 10 recommendations for creep and shrinkage of plain concrete have been used for the prediction of long‐term strains. It is demonstrated that the analysis predicts the time‐dependent strains reasonably well (with a statistical mean deviation error of 1.16 and 1.00) for the creep tests on RC walls, when the compliance function proposed by ACI and fib is used. However, in the case of shrinkage tests, the accuracy with both ACI and fib models was limited (1.64 and 1.66, respectively). It is further demonstrated that by suitably recalibrating the compliance and shrinkage parameters in both ACI and fib models, the accuracy of shrinkage prediction in the companion RC specimens improves significantly with mean deviation error of 1.07 and 1.05 for ACI and fib models, respectively.