bluuebunny/crossref_metadata_2025_split huggingface dataset:
A longitudinal study of the mediating role of resilience in the impact of trait mindfulness on anxiety and aggression in Chinese college students with left‐behind experiences
Authors: Chen Jing , Zhang Chunyang , Zhou Yuyang , Xu Wei 
Published: August 2023

AbstractThe present study investigated how trait mindfulness is related to anxiety and aggression by considering the mediating role of resilience with the longitudinal data among Chinese college students with left‐behind experience. A total of 391 Chinese college students with left‐behind experiences completed the Mindful Attention Awareness Scale, the Connor‐Davidson Resilience Scale, the Chinese college students’ version of the Buss‐Perry Aggression Questionnaire, and the Depression Anxiety Stress Scales at two‐time points. Structural equation modeling was used to analyze the data, and the results indicated that resilience (T1) mediated the relationship between trait mindfulness (T1) and anxiety (T2) (indirect effect = −0.053, 95% confidence interval [CI] = [−0.119, −0.005]) as well as aggression (T2) (indirect effect = −0.070, 95% CI = [−0.127, −0.029]). Therefore, trait mindfulness had direct and indirect negative associations with anxiety and aggression, and resilience mediated the relationship between trait mindfulness and both anxiety and aggression. The findings of the study provide valuable insights into the potential benefits of trait mindfulness and resilience in improving mental health outcomes and suggest clinical potential in the improvement of mental health among college students with left‐behind experiences.
Ready but irresponsible? Analysis of the Government Artificial Intelligence Readiness Index
Authors: Nzobonimpa Stany , Savard Jean‐François 
Published: August 2023

AbstractMany are the promises of artificial intelligence (AI) and algorithms. Governments around the world are increasingly investing in AI and multiple voices have touted this seemingly unmatched revolution. Better performance, cost reduction, efficient management, crime prediction, and prevention are but a few of the pledges of the AI era. While such promises are recognized, research shows that AI benefits could be overstated. Issues of equity, ethics, justice, and fairness have raised concerns and have been seen as potentially threatening democratic principles. As countries get ready to tap into the AI power, researchers are asking whether preparedness is followed by responsibility checks. In this article, we use the Oxford Insights AI Readiness Index to explore why innovation and readiness in artificial intelligence are not always accompanied by accountability, even for some of the most advanced democracies around the world. Using the Fuzzy‐Set Qualitative Comparative Analysis (fsQCA) approach, we show that advancement in AI is not enough: privacy, transparency, inclusion, and accountability principles are key to ensuring governments tackle the AI challenge responsibly.
Group transfer polymerization in bulk methacrylates
Authors: Pieringer Florian , Catel Yohann , Liska Robert , Moszner Norbert , Knaack Patrick 
Published: August 2023

AbstractGroup transfer polymerization (GTP) is a polymerization method developed to obtain targeted (meth)acrylic polymers in solution at ambient temperatures. In this work, it is employed with methacrylic monomers to obtain low Ð polymers in bulk. In this regard, different initiator systems that exhibit different mechanisms are compared concerning the molecular weight, the polydispersity and double bond conversion of the resulting bulk polymers. The respective systems were chosen carefully to give a broad overview of earlier developed initiator‐catalyst combinations 1‐methoxy‐1‐(trimethylsiloxy)‐2‐methylprop‐1‐ene (MTS) & tetrabutylammonium cyanide (TBACN) and more recently investigated initiating systems MTS & trityl tetrakis(pentafluorophenyl)borate (TTPB) or dimethyl phenyl silane (DMPS) & tris(pentafluorophenyl)borate (BCF). The described initiating systems are applied as a two‐component (2K) system to ensure a homogeneous distribution of the respective initiator and catalyst in the bulk monomer. In addition to the 2K experiments, photochemical initiation is also applied to bulk formulations. Therefore, a photoacid generator (PAG) and MTS is used to trigger the polymerization reaction by irradiation with UV light. A highly controlled photopolymerization method in bulk was developed that way achieving a low polydispersity polymer with high double bond conversion.
A robust and efficiently reprocessable poly(dimethylsiloxane) elastomers enhanced by self‐catalysis Zn(II)‐ligand bonds and silyl ethers
Authors: Wu Yingdong , Bai Lu , Zheng Junping 
Published: August 2023

AbstractIn recent years, as an emerging dynamic bonding, silyl ether linkages have been concerned and applied. However, the reprocessability of vitrimers based on it is far from satisfactory because of the inactive dynamic exchange reaction. At the same time, the mechanical properties of polysiloxane elastomers are poor because of the high flexibility of polysiloxane molecular chains and weak intermolecular forces. Herein, we have successfully synthesized a PDMS elastomer incorporating Zn(II)‐amine coordination bonds as sacrificial units, which are crosslinked through dynamic silyl ether linkages. Importantly, the presence of Zn ions promotes the exchange between the silyl ether linkages and hydroxyl groups. The elastomers exhibited excellent mechanical properties (35 times improvement in toughness) and outstanding reprocessability. The mechanical property recovery of the PDMS elastomers reached approximately 90% after four reprocessing cycles. Meanwhile, small‐molecule simulation experiments were conducted to verify the significant catalytic effect of Zn (II) ions as Lewis acid catalysts on the exchange reaction of silyl ether linkages and hydroxyl groups. In a word, this work provides a facile strategy to simultaneously enhance the mechanical properties and reprocessing performance of silyl ether‐linked polysiloxane elastomers.
Fear of cancer recurrence and mental health: A comprehensive meta‐analysis
Authors: Podina Ioana R. , Todea Diana , Fodor Liviu‐Andrei 
Published: August 2023

AbstractObjectiveThis study aimed to examine the relationship between fear of cancer recurrence (FCR) and symptoms of anxiety, depression, and emotional distress in cancer survivors. Additionally, potential effect modifiers of this link were investigated.MethodsA systematic search was conducted in PsychInfo, PubMed/Medline, Web of Science, and the Cochrane Central Register of Controlled Trials until June 2022. Studies reporting the association between FCR and mental health indices in adolescent and young adult survivors (15–39 years) and adult survivors (>18 years) were included. Study quality was assessed using the Joanna Briggs Institute checklist for cross‐sectional studies.ResultsA total of 72 primary studies with 31,740 participants were identified, with the majority having a low risk of bias. The results revealed a significant association between FCR and depression, anxiety, and emotional distress. This association was observed whether FCR was examined in relation to each factor individually or collectively. The effect sizes fell within the medium range. Notably, the relationship between FCR and mental health strengthened over the years of publication. Additionally, lengthier FCR assessment instruments yielded larger effect sizes compared to shorter and single‐item instruments, underscoring the significance of instrument selection.ConclusionsThis meta‐analysis provides further evidence that FCR is linked to a range of common mental health problems. The medium effect sizes observed indicate the need to consider FCR when evaluating the mental health of cancer survivors, and vice versa. Further research is required to elucidate the underlying mechanisms of the FCR‐mental health link.
Gender dynamics and poverty decomposition in rural Nigeria
Authors: Obayelu Oluwakemi Adeola , Oyewunmi Oyetola Folake , Sowunmi Fatai Abiola 
Published: August 2023

AbstractPoverty in sub‐Saharan Africa is largely a rural phenomenon that is associated with an inequitable distribution of resources among gender groups. This study therefore assessed poverty decomposition in rural Nigeria along gender lines. Data for the study came from the General Household Survey panel data for 2010/2011 (wave 1) and 2015/2016 (wave 3) and were analyzed with Foster Greer and Thorbecke poverty classes and the Shapley decomposition method. Total poverty change and poverty elasticity were −0.0690 and 0.1394, respectively, in women‐led households, −0.0973 and 0.1825 in men‐led households, and −0.1152 and 0.2906 in gender‐balanced households. Between‐group (0.9773) elasticity was higher than the within‐group (0.1853) component for the poverty headcount, while within‐group elasticity was higher than the between‐group component for poverty depth and severity. Thus, an effective poverty reduction strategy in Nigeria should be gender‐inclusive.
Structural and functional characterization of Aedes aegypti pupal cuticle protein that controls dengue virus infection
Authors: Huang Qingqing , Gavor Edem , Tulsian Nikhil Kumar , Fan Jingsong , Lin Qingsong , Mok Yu Keung , Kini R. Manjunatha , Sivaraman J. 
Published: August 2023

AbstractThe pupal cuticle protein from Aedes aegypti (AaPC) inhibits dengue virus (DENV) infection; however, the underlying mechanism of this inhibition remains unknown. Here, we report that AaPC is an intrinsically disordered protein and interacts with domain I/II of the DENV envelope protein via residues Asp59, Asp61, Glu71, Asp73, Ser75, and Asp80. AaPC can directly bind to and cause the aggregation of DENV, which in turn blocks virus infection during the virus‐cell fusion stage. AaPC may also influence viral recognition and attachment by interacting with human immune receptors DC‐SIGN and CD4. These findings enhance our understanding of the role of AaPC in mitigating viral infection and suggest that AaPC is a potential target for developing inhibitors or antibodies to control dengue virus infection.
AQcalc: A web server that identifies weak molecular interactions in protein structures
Authors: Afshinpour Maral , Smith Logan A. , Chakravarty Suvobrata 
Published: August 2023

AbstractWeak molecular interactions play an important role in protein structure and function. Computational tools that identify weak molecular interactions are, therefore, valuable for the study of proteins. Here, we present AQcalc, a web server (https://aqcalcbiocomputing.com/) that can be used to identify anion–quadrupole (AQ) interactions, which are weak interactions involving aromatic residue (Trp, Tyr, and Phe) ring edges and anions (Asp, Glu, and phosphate ion) both within proteins and at their interfaces (protein–protein, protein‐nucleic acids, and protein–lipid bilayer). AQcalc identifies AQ interactions as well as clusters involving AQ, cation–π, and salt bridges, among others. Utilizing AQcalc we analyzed weak interactions in protein models, even in the absence of experimental structures, to understand the contributions of weak interactions to deleterious structural changes, including those associated with oncogenic and germline disease variants. We identified several deleterious variants with disrupted AQ interactions (comparable in frequency to cation–π disruptions). Amyloid fibrils utilize AQ to bury anions at frequencies that far exceed those observed for globular proteins. AQ interactions were detected three and five times more frequently than the hydrogen‐bonded AQ (HBAQ) in fibril structures and protein–lipid bilayer interfaces, respectively. By contrast, AQ and HBAQ interactions were detected with similar frequencies in globular proteins. Collectively, these findings suggest AQcalc will be effective in facilitating fine structural analysis. As other web utilities designed to identify protein residue interaction networks do not report AQ interactions, wide use of AQcalc will enrich our understanding of residue interaction networks and facilitate hypothesis testing by identifying and experimentally characterizing these comparably weak but important interactions.
Mechanistic study of dual‐function inhibitors targeting topoisomerase II and Rad51‐mediated DNA repair pathway against castration‐resistant prostate cancer
Authors: Chiang Yi‐Chang , Leu Wohn‐Jenn , Chen Yi‐Chin , Ye Pei‐Chen , Hsu Yu‐Tung , Hsiao Yu‐Chi , Hsu Jui‐Ling , Chan She‐Hung , Hsu Lih‐Ching , Huang Hsu‐Shan , Guh Jih‐Hwa 
Published: August 2023

AbstractBackgroundCastration‐resistant prostate cancer (CRPC) is refractory to hormone treatment and the therapeutic options are continuously advancing. This study aims to discover the anti‐CRPC effects and underlying mechanisms of small‐molecule compounds targeting topoisomerase (TOP) II and cellular components of DNA damage repair.MethodsCell proliferation was determined in CRPC PC‐3 and DU‐145 cells using anchorage‐dependent colony formation, sulforhodamine B assay and flow cytometric analysis of CFSE staining. Flow cytometric analyses of propidium iodide staining and JC‐1 staining were used to examine the population of cell‐cycle phases and mitochondrial membrane potential, respectively. Nuclear extraction was performed to detect the nuclear localization of cellular components in DNA repair pathways. Protein expressions were determined using Western blot analysis.ResultsA series of azathioxanthone‐based derivatives were synthesized and examined for bioactivities in which WC‐A13, WC‐A14, WC‐A15, and WC‐A16 displayed potent anti‐CRPC activities in both PC‐3 and DU‐145 cell models. These WC‐A compounds selectively downregulated both TOP IIα and TOP IIβ but not TOP I protein expression. WC‐A13, WC‐A14, and WC‐A15 were more potent than WC‐A16 on TOP II inhibition, mitochondrial dysfunction, and induction of caspase cascades indicating the key role of amine‐containing side chain of the compounds in determining anti‐CRPC activities. Furthermore, WC‐A compounds induced an increase of γH2AX and activated ATR‐Chk1 and ATM‐Chk2 signaling pathways. P21 protein expression was also upregulated by WC‐A compounds in which WC‐A16 showed the least activity. Notably, WC‐A compounds exhibited different regulation on Rad51, a major protein in homologous recombination of DNA in double‐stranded break repair. WC‐A13, WC‐A14, and WC‐A15 inhibited, whereas WC‐A16 induced, the nuclear translocation of Rad51.ConclusionThe data suggest that WC‐A compounds exhibit anti‐CRPC effects through the inhibition of TOP II activities, leading to mitochondrial stress‐involved caspase activation and apoptosis. Moreover, WC‐A13, WC‐A14, and WC‐A15 but not WC‐A16 display inhibitory activities of Rad51‐mediated DNA repair pathway which may increase apoptotic effect of CRPC cells.
Evolution of ACCase‐inhibitor resistance in Chloris virgata is conferred by a Trp2027Cys mutation in the herbicide target site
Authors: Ferreira Luiz Augusto Inojosa , de Oliveira Rubem Silvério , Constantin Jamil , Brunharo Caio 
Published: August 2023

AbstractBACKGROUNDChloris virgata is a troublesome weed in tropical regions. With the evolution of glyphosate resistance in key grass species, acetyl CoA carboxylase (ACCase) inhibitors have become a commonly used tool in soybean production areas in Brazil. We assessed if suspected resistant populations exhibited cross resistance to the different classes of ACCase inhibitors and investigated the resistance mechanisms in C. virgata.RESULTSDose–response experiments revealed resistance to haloxyfop‐methyl and pinoxaden, with 432‐ and 3‐fold resistance, respectively, compared to susceptible populations. Due to the lack of genetic resources for C. virgata, we sequenced, assembled, and annotated the genome using short‐read Illumina technology. The k‐mer analysis estimated a genome size of approximately 336 Mbp, with BUSCO completeness of 97%, and over 36 000 gene models were annotated. We examined if ACCase copy number variation and increased gene expression were involved in the resistance phenotype and found no difference when compared to a susceptible population. A mutation was detected in ACCase that encodes for amino acid position 2027, resulting in a tryptophan‐to‐cysteine (Trp2027Cys) substitution. We found the resistant population absorbed 11.4% less herbicide and retained 21% more herbicide on the treated leaf compared to the susceptible population. We developed a genotyping assay targeting the resistance‐endowing Trp2027Cys substitution for quick resistance diagnosis.CONCLUSIONA Trp2027Cys amino acid substitution in ACCase confers resistance to haloxyfop and pinoxaden in C. virgata. We provide important insights into the evolutionary history of C. virgata and a draft genome as a useful resource to further our understanding of the biology in the genus Chloris. © 2023 The Authors. Pest Management Science published by John Wiley & Sons Ltd on behalf of Society of Chemical Industry.
A pH‐responsive MOF‐functionalized hollow mesoporous silica controlled herbicide delivery system exhibits enhanced activity against ACCase‐herbicide‐resistant weeds
Authors: Deng Xi‐le , Li Jia‐qing , Yi Ji‐ming , Lian Ren‐jie , Zhang Zhao‐yang , Li Jian‐hong , He Shun , Bai Lian‐yang 
Published: August 2023

AbstractBACKGROUNDWeeds grow aggressively in agricultural fields, leading to reduced crop yields and an inability to meet the growing demand for food. Herbicides are currently the most effective method for weed control. However, the overuse of herbicides has resulted in the evolution of resistance mutants and has caused environmental pollution. Therefore, new technologies are urgently required to address this global challenge.RESULTSWe report a copper‐benzene‐1,4‐dicarboxylate metal organic framework (Cu‐BDC MOF)‐functionalized carboxyl hollow mesoporous silica (HMS‐COOH) delivery system for the pH‐controlled release of the acetyl‐CoA carboxylase (ACCase)‐inhibiting herbicide quizalofop‐p‐ethyl (QE). The delivery system (QE@HMS@Cu‐BDC) enabled the efficient control of barnyard grasses that are susceptible and resistant to ACCase‐inhibiting herbicides, which showed 93.33% and 88.33% FW control efficacy at 67.5 g ha−1, respectively. With the lowest pH value (3), QE and copper ion were released slowly to total 70.30% and 78.55% levels (respectively) from QE@HMS@Cu‐BDC after 89 h. QE@HMS@Cu‐BDC showed better absorption, conduction, transportation and ACCase activity inhibition performance than that of QE emulsifiable concentrate (EC) in both susceptible and ACCase‐herbicide resistant barnyard grasses. In addition, with the safener effect of carrier HMS@Cu‐BDC and the aid of the safener fenchlorazole‐ethyl (FE), the application of QE@HMS@Cu‐BDC was shown to mitigate the damage caused by QE to rice plants.CONCLUSIONThis work found that the new material HMS‐COOH@Cu‐BDC can be used to mitigate herbicide‐induced oxidative stress and improve rice plant safety. Futhermore, the QE@HMS‐COOH@Cu‐BDC constructed in this research might be used as an efficient nanopesticide formulation for weed controls in paddy rice fields. © 2023 Society of Chemical Industry.
Achyrocline satureioides as an adjuvant therapy for the management of mild viral respiratory infections in the context of COVID‐19: Preliminary results of a randomized, placebo‐controlled, and open‐label clinical trial
Authors: Bastos Catherina Isdra Moszkowicz , Dani Caroline , Cechinel Laura Reck , da Silva Neves Arthur Hipolito , Rasia Fabiana Briato , Bianchi Sara Elis , da Silveira Loss Eloisa , Lamers Marcelo Lazzaron , Meirelles Gabriela , Bassani Valquiria Linck , Siqueira Ionara Rodrigues 
Published: August 2023

AbstractWe evaluated the impact of an Achyrocline satureioides inflorescence infusion on the clinical outcomes of viral respiratory infections, including those caused by SARS‐CoV‐2, in a monocentric, randomized, open‐label, placebo‐controlled clinical trial. Patients with symptoms of viral respiratory infection, including suspected cases of COVID‐19, were included and assigned to receive either A. satureioides (n = 57) or Malus domestica (n = 67) infusions twice a day for 14 days. All participants were included before the RT‐PCR results, performed using a nasopharyngeal swab. The patients were further divided into subgroups according to real‐time polymerase chain reaction results: SARS‐CoV‐2‐positive and SARS‐CoV‐2‐negative subgroups for statistical analyses. We assessed clinical outcomes, such as the latency to resolution of cough, dyspnea, fever, sore throat, chest pain, smell and taste dysfunctions, diarrhea, nausea, abdominal pain, and loss of appetite; hospitalization; and mortality with questionnaires and medical records. The subjects that received early A. satureioides infusion showed a significant reduction in the average number of days with respiratory and neurological symptoms compared with the control group (M. domestica infusion). We conclude that A. satureioides is a safe agent and, in combination with standard care, improves viral respiratory infection symptoms, especially those related to COVID‐19.
QSPR analysis through graph models for predicting ADMET properties of antifungal drugs to treat fungal diseases
Authors: Parveen S. Thilsath , Balamurugan B. J. 
Published: August 2023

AbstractThe chemical structure of a drug is considered as a chemical graph where the vertex set is the set of atoms and the edge set is the set of bonds between the atoms. Fungi‐related diseases are becoming a more serious medical problem as a result of changes in the worldwide environment. In this article, the QSPR analysis is performed to predict the ADMET properties of the drugs used to treat fungal infections such as mucormycosis, blastomycosis, invasive candidiasis, talaromycosis, cryptococcus, neoformans, and so forth. The antifungal drugs posaconazole, isavuconazole, and amphotericin B and its analogs are considered to carry out the QSPR analysis. The domination numbers of these drugs are determined to correlate with their ADMET properties through cubic regression and the analysis suggests a high association between the domination numbers of drugs and their ADMET properties. The ADMET properties of the analog structures of the drug amphotericin B are also predicted in this QSPR analysis.
Theoretical insight on Cm(III) and Eu(III) competing with Am(III) for binding to N‐donor extractants with different dentate numbers
Authors: Wu Shouqiang , Zhang Yiying , Li An Yong 
Published: August 2023

AbstractThe separation of actinides (An) from lanthanides (Ln) is crucial for nuclear resource recovery and reducing long‐term radiotoxicity. While numerous N‐donor ligands have been examined for the extraction separation of An and Ln, few studies have investigated the effect of the number of ligand dentate on bonding and extraction separation. To address this issue, we designed six pyridine‐based ligands with different numbers of coordination dentate. We employed density functional methods to investigate their bonding properties with Am(III), Cm(III), and Eu(III), as well as the thermodynamic differences in extracting and separating these metal ions. The NBO and QTAIM analyses indicate that the metal–ligand bonds are predominantly ionic. However, the Am‐N bond exhibits higher covalency compared to the Cm‐N and Eu‐N bonds, and it is also stronger than the latter two. This difference in bonding can be attributed to the greater involvement of the 5f orbitals of Am in coordination with the ligands, in contrast to the involvement of the Cm 5f and Eu 4f orbitals. Thermodynamic analysis reveals that the coordination ability of the ligands with metals does increase with the number of coordination teeth. However, the extraction separation effect of the ligand for Am/Cm and Am/Eu does not show a strong correlation with the number of coordination dentate. We hope that this study can offer valuable theoretical support for the design of ligands aimed at the separation of actinide(III) and lanthanide(III) ions.