bluuebunny/crossref_metadata_2025_split huggingface dataset:
Life without sex: Large-scale study links sexlessness to physical, cognitive, and personality traits, socioecological factors, and DNA
Authors: Abdellaoui Abdel , Wesseldijk Laura W. , Gordon Scott D. , Pasman Joëlle A. , Smit Dirk J.A. , Androvičová Renáta , Martin Nicholas G. , Ullén Fredrik , Mosing Miriam A. , Zietsch Brendan P. , Verweij Karin J.H. 
Published: July 2024

AbstractRomantic (typically sexual) relationships are important to personal, physical, mental, social, and economic wellbeing, and to human evolution. Yet little is known about factors contributing to long-term lack of intimate relationships. We investigated phenotypic and genetic correlates of never having had sex in ∼400,000 UK residents aged 39 to 73 and ∼13,500 Australian residents aged 18 to 89. The strongest associations revealed that sexless individuals were more educated, less likely to use alcohol and smoke, more nervous, lonelier, and unhappier. Sexlessness was more strongly associated with physical characteristics (e.g. upper body strength) in men than in women. Sexless men tended to live in regions with fewer women, and sexlessness was more prevalent in regions with more income inequality. Common genetic variants explained 17% and 14% of variation in sexlessness in men and women, with a genetic correlation between sexes of 0.56. Polygenic scores predicted a range of related outcomes in the Australian dataset. Our findings uncover multifaceted correlates of human intimacy of evolutionary significance.
Haptoglobin and glutamine synthetase may biomark cachexia induced by anti-acute myeloid leukemia chemotherapy
Authors: Campelj Dean G. , Timpani Cara A. , Spiesberger Guinevere , Formosa Luke E. , Steele Joel R. , Zhang Haijian , Schittenhelm Ralf B. , Leow Lewis , Goodman Craig A. , Rybalka Emma 
Published: July 2024

AbstractBackgroundAnti-cancer chemotherapy is an underappreciated contributor to cancer cachexia, an often irreversible body-wasting condition that causes 20-30% of cancer-related deaths. An obstacle to predicting, monitoring and understanding the mechanisms underlying chemotherapy cachexia is that each cancer (and sub-type) is assigned different chemotherapeutic compounds, typically in multi-agent regimens. Here, we investigate the chemotherapy induction regimen (CIR) used in the haematological cancer, acute myeloid leukemia (AML). We hypothesized that the AML CIR would induce cachexia, including loss of lean tissue mass and skeletal muscle atrophy.MethodsUsing an unbiased proteomics approach we interrogated the underlying molecular mechanisms. 3-month-old male Balb/c mice were treated with the AML CIR via intraperitoneal injections of daunorubicin (1.7 mg/kg) on days 1-3, and cytarabine (33.2 mg/kg) administered on days 1-7 or vehicle. Mice were assessed 24 hours after the last treatment, on day 8, or allowed to recover for 2 weeks and assessed on day 22. A third cohort was given access to running wheels in cages. We assessed body composition, whole body metabolism and assessed the muscle proteome using quantitative tandem mass tag labelling LC-MS/MS analysis.ResultsThe AML CIR-induced acute cachexia involved a ∼10% loss of body mass, ∼10% loss of lean mass and ∼20% reduction in skeletal muscle fibre size. Whole body metabolism and ambulatory activity declined. This cachexic phenotype did not recover over the 2-week post-CIR period (lean mass loss post-CIR: 1 week ∼7% vs 2 weeks ∼9%). In voluntarily active CIR-treated mice, body wasting was exacerbated due to unchecked loss of fat mass (CIR sedentary: ∼31% vs CIR active: ∼51%). Muscle proteome studies revealed upregulation of haptoglobin (Hp) and glutamine synthetase (Glul), which were positively correlated with body and lean mass loss. Hp was sensitive to the conditional induction, recovery and exacerbation of AML CIR-mediated cachexia, suggestive of biomarker potential.ConclusionsThe AML CIR induces an acute reduction of body, lean and fat mass underpinned by skeletal muscle atrophy, hypermetabolism and catabolism. Our data uncovered a conditionally sensitive muscle biomarker in Hp, which may be useful as a prognostic tool across other scenarios of chemotherapy-induced myopathy and cachexia or as a target for therapeutic discovery in follow-up studies.
Overcoming the challenges of cascade reactions and complex substrates in natural product biocatalysis: Immobilization of a cyclodipeptide synthase
Authors: Alvarado-Ramírez Lynette , Sutherland Emmajay , Melchor-Martínez Elda M. , Parra-Saldívar Roberto , Bonaccorso Alfredo D. , Czekster Clarissa Melo 
Published: July 2024

AbstractCyclodipeptide synthases (CDPSs) use aminoacylated tRNAs to produce cyclic dipeptide natural products which can have anticancer and neuroprotective activity. Despite their potential, applications involving CDPSs are hindered by enzyme instability and challenges in producing aminoacylated tRNAs. Immobilizing enzymes can enhance stability and recyclability, yet studies on immobilized enzymes using aminoacylated tRNAs are lacking. Here, we immobilized the CDPS enzyme fromParcubacteria bacteriumRAAC4_OD1_1 (PbCDPS) using three sustainable supports: biochar from waste materials, calcium-alginate beads, and chitosan beads. Active PbCDPS immobilization led to production of the cyclodipeptide cyclo (His-Glu) (cHE). Notably, following activation with glutaraldehyde, a five-fold increase in cHE production was observed, while the immobilized enzyme remained active for seven consecutive cycles. Furthermore, we co-immobilized three enzymes required for the cascade reaction yielding cHE, all of which require aminoacyl-tRNA substrates (PbCDPS, histidyl-tRNA synthetase, and glutamyl-tRNA synthetase). This enzymatic cascade successfully generated the cyclic dipeptide of interest, showcasing the potential of immobilizing complex enzymes operating in cascade on a single support. We demonstrated that tRNAs remained free in solution without adsorption onto beads. This work paves the way for the immobilization of enzymes utilizing tRNAs and potentially other complex substrates, expanding the spectrum of reactions exploitable with this technology.Graphical AbstractFor Table of Contents Only
PrePR-CT: Predicting Perturbation Responses in Unseen Cell Types Using Cell-Type-Specific Graphs
Authors: Alsulami Reem , Lehmann Robert , Khan Sumeer A. , Lagani Vincenzo , Gómez-Cabrero David , Kiani Narsis A. , Tegner Jesper 
Published: July 2024

AbstractPredicting the transcriptional response of chemical perturbations is crucial to understanding gene function and developing drug candidates, promising a streamlined drug development process. Single-cell sequencing has provided an ideal data basis for training machine learning models for this task. Recent advances in deep learning have led to significant improvements in predictions of chemical as well as genetic perturbations at the single cell level. Experiments have shown that different cell types exhibit distinct transcriptional patterns and responses to perturbation. This poses a fundamental problem for predicting transcriptional responses of drugs or cell types outside the training data. Accordingly, existing methods lack cell-type-specific modeling or do not explicitly provide an interpretable mechanism for the gene features. In this study, we introduce a novel approach that employs a network representation of various cell types as an inductive bias, improving prediction performance in scenarios with limited data while acknowledging cellular differences. We applied our framework to four small-scale single-cell perturbation datasets and one large-scale screening experiment, demonstrating that this representation can inherently generalize to previously unseen cell types. Furthermore, our method outperforms the state-of-the-art methods in predicting the post-perturbation response in unobserved cell types.
Meta-analysis of spatial genetic patterns among European saproxylic beetles - the influence of history and contemporary forest quality
Authors: Krovi Rama Sarvani , Amer Nermeen , Oczkowicz Maria , Kajtoch Łukasz 
Published: July 2024

AbstractThe phylogeography of forest-dwelling species in Europe is well understood, although our knowledge regarding the genetics of saproxylic beetles remains insufficient. This knowledge gap extends to understanding the influence of both quaternary history and contemporary forest dynamics on population genetics. To fill this gap, we conducted a systematic review and meta-analysis of recent literature concerning saproxylic beetle taxa with available genetic data. We include both threatened and common species in our study which enabled us to generalize our findings to the whole saproxylic community. Results suggest a latitudinal decrease in diversity in most species, likely influenced by Pleistocene glaciation and subsequent population expansions from southern refugia. Additionally, we observed an east-west gradient in diversity, with threatened species exhibiting higher diversity towards the east. This may reflect historical forest dynamics and anthropogenic pressures, such as heavy wood logging in Western Europe. Similarly, we found a pattern along altitude, with populations in higher elevation forests, which are often more natural, exhibiting higher diversity. Furthermore, we identified distinct phylogenetic units or genetic clusters in southern Europe reflecting the distribution of glacial refugia. For some taxa, distinct units were also reported in eastern Europe where populations spread from Asian refugia. Central Europe showed a high number of phylogenetic units, although unique (private) clades or clusters were absent. Most likely it is an effect of the presence of beetles that originated from various refugia belonging to different phylogenetic units.This study brings insights into general phylogeographic patterns, which have previously been examined only for single representatives of saproxylic beetles. It should also help in the proper planning of conservation and management efforts of wood-dwelling beetles.
A comprehensive guide through the fold and stability of cytochrome c with implications for disease
Authors: Yousaf Muhammad Abrar , Meli Massimiliano , Colombo Giorgio , Savoia Anna , Pastore Annalisa 
Published: July 2024

AbstractCytochrome c (Cyt-c), encoded byCYCSgene, is crucial for electron transport, peroxidase activity, and apoptosis. Mutations inCYCScan cause thrombocytopenia 4 (THC4), a disorder with low platelet counts. We have, for instance, recently described six Italian families with five different heterozygous missenseCYCSvariants. These mutations likely enhance peroxidase and apoptotic activities, yet mechanisms causing reduced platelet production and increased apoptosis are unclear. This study investigates all clinically important Cyt-c variants using an integrated bioinformatics approach. Our findings reveal that all variants are at evolutionarily conserved sites, potentially disrupting Cyt-c function and contributing to disease phenotypes. Specific variants are predicted to affect phosphorylation (T20I, V21G, Y49H), and ubiquitination (G42S, A52T, A52V, T103I). Cyt-c variants may influence the function of interacting genes and proteins involved in apoptosis and mitochondrial function. Molecular dynamics simulations (500 ns) reveal significant structural differences from the wild-type protein, with mutants showing reduced stability and increased unfolding and flexibility, particularly in the Ω-loop regions. These changes result in the displacement of the Ω-loops away from the heme iron, weakening critical hydrogen bonds and consequently opening the heme active site. This open conformation may enhance accessibility to small molecules such as H₂O₂, thereby promoting peroxidase activity, which may enhance apoptosis and likely impact megakaryopoiesis and platelet homeostasis in THC4.
Different RNA recognition by ProQ and FinO depends on the sequence surrounding intrinsic terminator hairpins
Authors: Mamońska Maria D. , Basczok Maciej M. , Stein Ewa M. , Olejniczak Mikołaj 
Published: July 2024

ABSTRACTEscherichia coliProQ and FinO proteins both have RNA-binding FinO domains, which bind to intrinsic transcription terminators, but each protein recognizes distinct RNAs. To explore how ProQ and FinO discriminate between RNAs we transplanted sequences surrounding terminator hairpins between RNAs specific for each protein, and compared their binding to ProQ, the isolated FinO domain of ProQ (ProQNTD), and FinO. The results showed that the binding specificity of chimeric RNAs towards ProQ, ProQNTD, or FinO was determined by the origin of the transplanted sequence. Further analysis showed that the sequence surrounding the terminator hairpin, including a purine-purine mismatch, in natural RNA ligands of FinO and in chimeric RNAs weakened their binding by ProQNTD. Overall, our studies suggest that the discrimination between RNAs by ProQ and FinO is determined by RNA sequence elements surrounding the intrinsic terminator hairpin.
Vocal recognition of partners by female prairie voles
Authors: Warren Megan R. , Young Larry J. , Liu Robert C. 
Published: July 2024

ABSTRACTRecognizing conspecifics is vitally important for differentiating kin, mates, offspring and social threats.1Although often reliant upon chemical or visual cues, individual recognition across the animal kingdom is also facilitated by unique acoustic signatures in vocalizations.2–4However, amongst the largeMuroideasuperfamily of rodents that encompasses laboratory species amenable to neurobiological studies, there is scant behavioral evidence for individual vocal recognition despite individual acoustic variation.5–10Playback studies have found evidence for coarse communicative functions like mate attraction and territorial defense, but limited finer ability to discriminate known individuals’ vocalizations.11–17Such a capacity would be adaptive for species that form lifelong pair bonds requiring partner identification across timescales, distances and sensory modalities, so to improve the chance of finding individual vocal recognition in aMuroidrodent, we investigated vocal communication in the prairie vole (Microtus ochrogaster) – one of the few socially monogamous mammals.18We found that the ultrasonic vocalizations of adult prairie voles can communicate individual identity. Even though the vocalizations of individual males change after cohabitating with a female to form a bond, acoustic variation across individuals is greater than within an individual so that vocalizations of different males in a common context are identifiable above chance. Critically, females behaviorally discriminate their partner’s vocalizations over a stranger’s, even if emitted to another stimulus female. These results establish the acoustic and behavioral foundation for individual vocal recognition in prairie voles, where neurobiological tools19–22enable future studies revealing its causal neural mechanisms.HighlightsMuroid rodents can display individual vocal recognitionAdult prairie vole USVs are more variable across individuals than social experienceIndividual vole identity can be decoded from their vocalizationsCarefully constructed protocol sustains vole’s interest in vocal playbackFemale prairie voles behaviorally recognize their mate’s vocalizations
How Accurate Are Simulations and Experiments for the Lattice Energies of Molecular Crystals?
Authors: Della Pia Flaviano , Zen Andrea , Alfè Dario , Michaelides Angelos 
Published: July 2024

Molecular crystals play a central role in a wide range of scientific fields, including pharmaceuticals and organic semiconductor devices. However, they are challenging systems to model accurately with computational approaches because of a delicate interplay of intermolecular interactions such as hydrogen bonding and Van der Waals dispersion forces. Here, by exploiting recent algorithmic developments, we report the first set of diffusion Monte Carlo lattice energies for all 23 molecular crystals in the popular and widely used X23 dataset. Comparisons with previous state-of-the-art lattice energy predictions (on a subset of the dataset) and a careful analysis of experimental sublimation enthalpies reveals that high-accuracy computational methods are now at least as reliable as (computationally derived) experiments for the lattice energies of molecular crystals. Overall, this work demonstrates the feasibility of high-level explicitly correlated electronic structure methods for broad benchmarking studies in complex condensed phase systems, and signposts a route towards closer agreement between experiment and simulation.

Published by the American Physical Society
2024
Creative efforts in banking services: a moderated mediation analysis of perceived organizational obstruction and knowledge sharing behavior
Authors: Khan Mohammad Saud , Zulfiqar Sehar 
Published: July 2024

PurposeDrawing on broaden and build theory and the job demands–resources (JD–R) perspective, this study aims to test a moderated mediation model to explain the mediating effect of knowledge sharing behavior and the moderating role of perceived organizational obstruction on the dynamics of work engagement and creative effort.Design/methodology/approachData from 497 banking service employees constitute the sample of the study, and PROCESS macro in Statistical Package for the Social Sciences (SPSS) was used to test the hypotheses.FindingsThe positive impact of work engagement on creative effort is mediated by knowledge sharing behavior and the direct effect of work engagement on creative effort and the mediating effect of knowledge sharing behavior are contingent on perceived organizational obstruction. These effects were weaker for employees who experienced high perceived organizational obstruction.Originality/valueThis work unfolds how and when work engagement impacts the creative efforts of banking sector employees, highlighting when engaged work matters the most. It provides bidirectional richness at the intersection of knowledge management and creativity literature by focusing on the banking industry of a developing country.
Exploring the human consequences of crisis in the hospitality sector: a study from India
Authors: Abas Basit , Srikanth V. , Bukhari Shazia , Fayaz Ishret 
Published: July 2024

PurposeThe present study aimed to explore the socio-psychological linkages between perceived job insecurity, loneliness, social support, depression, and interpersonal misconduct among hotel workers during a global crisis. The primary motivation behind this research was the significant problem of increased occupational stress resulting from the negative consequences of the pandemic on all hotel employees, including frontline workers and management personnel. This study aimed to investigate the impact of the pandemic on occupational stress within the hotel sector.Design/methodology/approachThis research obtained 269 original survey data from employees in the Indian hotel industry by distributing a questionnaire and employing a convenience sampling method. Subsequently, the data were examined using (SEM).FindingsThe research findings suggest that there is a positive correlation between interpersonal deviance and depression. Additionally, this study demonstrated that social support can alleviate loneliness but has no significant association with depression.Research limitations/implicationsThis study can help hotel managers create guidelines that address the perceived insecurity and psychological issues faced by employees.Originality/valueBy understanding the psychological position of their employees, hoteliers can implement strategies to mitigate the negative impacts of the pandemic on their workforces.
Translation and validation of the Portuguese version of the discrimination in medical settings scale: a cross-sectional study with Portuguese Roma
Authors: Pereira Tiago Melo , Martinho Sara , Barbosa Miguel 
Published: July 2024

Purpose
Perceived discrimination in medical setting is associated to adverse healthcare outcomes. Yet, few tools exist for assessing such discrimination among patients in Portugal. This study aimed to validate the Discrimination in Medical Settings (DMS) scale for the Portuguese Roma population, explore their experiences of healthcare discrimination and analyze the association between perceived discrimination, health perception and healthcare trust.

Design/methodology/approach
In this cross-sectional study, 84 Roma adults (60,7% women) completed the DMS, along with microaggression assessments, health perception and healthcare trust evaluations.

Findings
The seven-item DMS scale yielded a one-factor structure that explained 71.80% of variance, with strong reliability (a = 0.89). The average DMS-measured perceived discrimination was 2.46. Discrimination correlated inversely with health perception and was strongly negatively associated to trust in healthcare.

Originality/value
The DMS scale exhibited reliability, single-dimensionality and validity among the Roma. High perceived discrimination in medical settings among Portuguese Roma was notably associated with individual health perception and healthcare trust.
What is healthy hybrid work? Exploring employee perceptions on well-being and hybrid work arrangements
Authors: Dale Gemma , Wilson Hannah , Tucker Matthew 
Published: July 2024

PurposeThis research investigates the personal experiences of hybrid workers, exploring their perspectives on their health and well-being when undertaking hybrid working arrangements. The research further explores how organisations can proactively support the health and wellbeing of hybrid workers, mitigating any potential health risks.Design/methodology/approachA cross-sectional, qualitative online survey was used to collect data from 412 hybrid workers. The data were analysed thematically. This approach allows for nuanced insights into the personal experiences of hybrid workers to be understood.FindingsFindings indicate that employees who undertake hybrid work experience both positive and negative effects on their subjective well-being; hybrid work arrangement has the potential to act as a job resource or job demand. The study further identifies actions that can support healthy hybrid work that will be of value to organisations offering these working arrangements.Originality/valueAlthough empirical research has previously examined the relationship between remote work and employee well-being, there is a lack of in-depth understanding about employees’ experiences of well-being whilst undertaking hybrid work – an emerging and relatively unexplored working arrangement. This research therefore addresses a significant gap in the literature by providing a deep understanding of how hybrid work influences employee well-being. Furthermore, previous research has not yet explored how hybrid worker health can be enabled and supported by organisations and individuals themselves.