bluuebunny/crossref_metadata_2025_split huggingface dataset:
Cyclization diversity of meroditerpenoids from endophytic fungi of medicinal plants driven by synthetic biology strategies
Authors: Jiang Yuntao , Xiao Zonghua , Du Lianqiong , Suo Yukai , Zhang Xuping , Wang Weiguang 
Published: January 2025

Abstract

Background
Medicinal plants rich in endophytic fungi are a significant source of natural lead compounds. Meroterpenoids, which are hybrid natural products originating from partially terpenoid pathways, exhibit impressive structural complexity and substantial potential as drug candidates. The structural diversity of meroterpenoids is largely attributed to the functional diversity of terpenoid cyclases, which generate a variety of terpenoid compounds with different ring systems. This enzymatic versatility underscores the biochemical potential of endophytic fungi and their invaluable role in drug discovery.

Objective
The aim of the study was to investigate the role of endophytic fungi from Paris polyphylla var. yunnanensis in facilitating diverse cyclization modifications of meroditerpenoids through four terpene cyclases (TCs) from the Pyr4 family.

Methods
This study utilized a recombinant strategy to successfully reconstruct four distinct TCs from endophytic fungi in the heterologous host, Aspergillus oryzae NSAR1. The structural characterization of the resulting secondary metabolites was performed using mass spectrometry and NMR techniques.

Results
The substitution of TCs from the endophytes Aspergillus felis 0260 and Fusarium graminearum 1962 in Aspergillus oryzae through hydrophobic intermediates 1 and 2, led to the production of meroditerpenoids sartorypyrone C (3) and a new compound, 4′-methylchevalone E (4), respectively. This study demonstrates the critical role of endophytic fungi in enhancing structural diversity.

Conclusions
These findings provide valuable insights into the compatibility of pathway combinations and the interchangeability of terpene cyclases derived from endophytic fungi in medicinal plants, which advanced the understanding of meroditerpenoid biosynthesis and highlighted the importance of endophytic fungi in drug discovery.
Changes in Cerebral Hemodynamic Among Patients With Schizophrenia or Bipolar Disorder Receiving Electroconvulsive Therapy
Authors: Chhoa Keng-hong , Chiang Soon-kiat , Ong Kheng-yee , Yong Choon-keat , Ng Bee-zhen , Othman Siti- Zubaidah , McIntyre Roger S. , Choi Jongkwan , Cha Jihyun , Ho Roger C. , Chee Kok-yoon 
Published: January 2025

Abstract
There remains a scarcity of studies to evaluate the treatment effect of electroconvulsive therapy (ECT). Functional near-infrared spectroscopy (fNIRS) offers a cost-effective method to measure cerebral hemodynamics. This study used fNIRS to evaluate the effect of ECT in patients suffering from schizophrenia or bipolar disorder (manic phase). Thirty patients with mania and 31 with schizophrenia were recruited. Each participant received 6 sessions of ECT. This study utilized the Positive and Negative Syndrome Scale, Young Mania Rating Scale, and fNIRS-verbal fluency test paradigm at baseline and after each session of ECT. The prefrontal cortex hemodynamic response during the performance of verbal fluency test was recorded via a commercial wireless high-density continuous-wave fNIRS system device. The effect of categorical and continuous variables was determined using Pearson's chi-square test and Student's t test or 1-way analysis of variance with Bonferroni-corrected post hoc pairwise comparison, respectively. Comparing the Positive and Negative Syndrome Scale and Young Mania Rating Scale scores between baseline, sessions 3 and 6, the scores were significantly decreased (P < 0.001), with both patient groups achieving more than 50% reduction in scores from baseline to session 6. The fNIRS also showed significant increases in oxy-hemoglobin levels (session 6 vs baseline) in the right ventrolateral prefrontal cortex and left dorsolateral prefrontal cortex for both patient groups (P < 0.05). There were significant correlations in the reduction of symptom severity and increase in HbO2 levels in people with bipolar disorder (manic phase) and schizophrenia (P < 0.05). Monitoring the activation in the right ventrolateral prefrontal cortex and left dorsolateral prefrontal cortex is an objective ECT monitoring indicator for patients suffering from bipolar disorder (manic phase) or schizophrenia.
Molecular Drivers of RNA Phase Separation
Authors: Ramachandran V , Potoyan DA 
Published: January 2025

AbstractRNA molecules are essential in orchestrating the assembly of biomolecular condensates and membraneless compartments in cells. Many condensates form via the association of RNA with proteins containing specific RNA binding motifs. However, recent reports indicate that low-complexity RNA sequences can self-assemble into condensate phases without protein assistance. Divalent cations significantly influence the thermodynamics and dynamics of RNA condensates, which exhibit base-specific lower-critical solution temperatures (LCST). The precise molecular origins of these temperatures remain elusive. In this study, we employ atomistic molecular simulations to elucidate the molecular driving forces governing the temperature-dependent phase behavior of RNA, providing new insights into the origins of LCST. Using RNA tetranucleotides and their chemically modified analogs, we map RNA condensates’ equilibrium thermodynamic profiles and structural ensembles across various temperatures and ionic conditions. Our findings reveal that magnesium ions promote LCST behavior by inducing local order-disorder transitions within RNA structures. Consistent with experimental observations, we demonstrate that the thermal stability of RNA condensates follows the Poly(G) > Poly(A) > Poly(C) > Poly(U) order shaped by the interplay of base-stacking and hydrogen bonding interactions. Furthermore, our simulations show that ionic conditions and post-translational modifications can fine-tune RNA self-assembly and modulate condensate physical properties.Author SummaryRNA molecules are essential for organizing membraneless compartments that play critical roles in cellular processes. While many of these condensates form through interactions between RNA and proteins, recent studies have shown that certain RNA sequences can self-assemble into condensates without protein assistance. This ability is influenced by the sequence composition of RNA and the presence of ions like magnesium. Using detailed molecular simulations we carried out systematic study to reveal how temperature and ionic conditions affect RNA condensation. We discovered that magnesium ions play a key role in driving RNA molecules to condense at lower temperatures by promoting structural changes within the RNA. Our findings also revealed that the stability of RNA condensates varies depending on the RNA sequence, with guanine-rich sequences being the most stable. Additionally, we demonstrated how chemical modifications and ionic conditions can fine-tune the properties of RNA condensates. This study provides new insights into how RNA forms condensates and highlights potential strategies to control their behavior, which could have implications for understanding cellular organization and developing new therapies.
Role of the Nucleotide Excision Repair endonuclease XPF in the kinetoplastid parasiteTrypanosoma brucei
Authors: Gómez-Liñán Claudia , Sáez-Maldonado María , Ruíz-Pérez Luís Miguel , González-Pacanowska Dolores , Vidal Antonio E. 
Published: January 2025

ABSTRACTThe nucleotide excision repair (NER) mechanism is responsible for the removal of bulky DNA damage such as pyrimidine dimers induced by ultraviolet light. The NER pathway detects such lesions and excises the damaged strand through incisions at 5 ’ and 3’ of the damage. The 5’ incision is catalyzed by a heterodimeric endonuclease composed of XPF (catalytic subunit) and ERCC1 (non-catalytic). Here, we show that the genome ofTrypanosoma brucei, the causal agent of human African trypanosomiasis or sleeping sickness, codes for an XPF ortholog. RNAi silencing of TbXPF sensitizes cells to UV irradiation, thus providing evidence that NER operates in these parasites. In addition, TbXPF confers protection against intra- and inter-strand crosslinks induced by cisplatin and mitomycin C respectively. Consistent with a role in DNA repair, XPF localizes to the cell nucleus, and is found associated to nucleoplasmic and nucleolar regions. The presence of a functional NER pathway in trypanosomes suggests thatin vivo, they are susceptible to undergo replication and transcription-blocking DNA damages. The results obtained with various antitumor agents provide proof of concept for the potential of NER inhibition as a means to improve antiparasitic therapies.
Loss-of-function mutations inASIPandMC1Rare associated with coat color variation in marsupials
Authors: Sauermann Ryan , Fancourt Bronwyn , Faulkner Tim , Shute Hayley , Reid Dean , Pask Andrew J. , Feigin Charles Y. 
Published: January 2025

AbstractIn mammals, coat color is determined by deposition of pigments into the growing hair shaft. The production of these pigments is governed in part by Agouti Signaling Protein (ASIP) and the Melanocortin 1 Receptor (MC1R) to which it binds. The most common background coat colors in mammals result from alternating bands of dark eumelanin and light pheomelanin within individual hairs. However, coats dominated by a single type of melanin have arisen several times. Here, we examine the genetic basis of two instances among the marsupials: a melanistic morph of the eastern quoll (Dasyurus viverrinus) found at high frequency in the wild, and a rare case of fixed xanthism in the marsupial moles. In the eastern quoll, we show that a deletion encompassing part of theASIPcoding sequence likely explains melanism in this species. Notably, this mutation is convergent with that recently discovered in its dark-coated relative, the Tasmanian devil (Sarcophilus harrisii). Conversely, we show that a nonsense mutation which severely truncatesMC1Rin the southern marsupial mole (Notoryctes typhlops) is a strong candidate driver of its pheomelanin-predominant coat. Together with other recent findings, our results suggest that loss-of-function mutations have occurred repeatedly within the marsupials, representing an important mechanism underpinning coat color variation.
A Monte Carlo algorithm for large-scale magnetic simulations
Authors: Ziółkowski Grzegorz , Chrobak Artur , Chrobak Dariusz 
Published: January 2025

PurposeThe paper refers to Monte Carlo (MC) magnetic simulations and finite element scaling rules, allowing the simulation of magnetic mesoscopic systems. The scaling rules consist of a redefinition of the system Hamiltonian as a function of a scaling factor, including spin values and exchange integral parameters attributed to system nodes. This approach leads to a disturbance of the thermodynamic balance expressed by acceptance probability in the Metropolis steps. This paper aims to explain the effect and solve the problem.Design/methodology/approachThe change of the acceptance probability is derived from energy change and the scaling roles. As a test, a set of thermomagnetic curves was simulated in the temperature ranges related to ferro-paramagnetic transitions for the systems with different enlargement factors.FindingsThe presented approach allows the simulation of thermomagnetic curves of large magnetic systems using the MC Metropolis algorithm modified by the scaling rules.Originality/valueThe presented approach allows the simulation of thermomagnetic curves of large magnetic systems, using the MC Metropolis algorithm modified by the scaling rules.
Designing scenario-based experiments in retail SCM: methodological approaches and practical insights
Authors: Ta Ha , Hofer Adriana Rossiter , Jin Yao “Henry” , Peinkofer Simone T. , Sodero Annibal 
Published: January 2025

Purpose Considering the transformational impact of technological advances in modern retail on the consumer experience and the associated growth of experimental studies in consumer-centric supply chain management (SCM) research, this paper presents a practical overview of key steps in the design of scenario-based experiments (SBEs) in the context of retail SCM.Design/methodology/approach Following a conceptual approach, this paper discusses essential aspects in the designing process, including the connection to theory, vignette design considerations, experimental checks and ensuring managerial relevance.Findings This paper presents a resource for SCM researchers in their pursuit of designing rigorous, context-focused SBEs in consumer-centric retail SCM research. Major design considerations and potential pitfalls are highlighted.Practical implications A well-designed experiment, including its vignettes, manipulations and checks, offers strong potential to inform actionable guidance for managers in the feasibility, strategy design, customization and consumer segmentation of retail SCM strategies.Originality/valueThis paper connects the steps in the design of SBEs to consumer-centric retail SCM questions, supporting future research in this realm.
Mindfulness as a mediating mechanism between health importance and positive mental well-being
Authors: Borges Ana Pinto , Rodrigues Paula , Brochado Ana , Sousa Ana 
Published: January 2025

Purpose
This paper aims to evaluate the links between health importance, mindfulness aspects and positive mental health outcomes in consumers. It uses both symmetric and asymmetric methods to study these complex relationships.

Design/methodology/approach
A structured questionnaire was distributed to obtain data from consumers, and 721 completed the questionnaire considering our research objectives. Structural Equation Modelling (SEM) was used to analyse the links between the constructs, whereas Fuzzy Set Qualitative Comparative Analysis (fsQCA) was used to find sets of conditions associated with beneficial mental health outcomes.

Findings
The study found substantial positive correlations between health importance and all aspects of mindfulness, including attention to one’s body, environment and emotions. Furthermore, attention to one’s body is identified as a strong predictor of positive mental health, highlighting the relevance of bodily awareness in promoting well-being. However, causal asymmetry is evident, implying that diverse combinations of causes result in higher or lower levels of positive mental health.

Research limitations/implications
While the study sheds light on the relationship between health importance, mindfulness and healthy mental health, it is not without limits. The survey-based methodology of the research may create biases, and the sample is predominantly made up of customers, limiting the generalisability of the results. Future study could investigate these correlations in more diverse groups, using longitudinal designs to gain a better grasp of causality.

Practical implications
The findings have practical implications for programmes designed to promote positive mental health. Individuals’ well-being and resilience can be improved by emphasising the value of health and fostering mindfulness activities. Targeted therapies can use these findings to create successful strategies for improving mental health outcomes.

Originality/value
This study fills a gap in the literature by adopting a holistic approach to examine the interplay between health importance, mindfulness and positive mental health. Unlike prior research focusing on isolated mindfulness aspects or singular methods, it uniquely integrates symmetric and asymmetric analyses. This approach reveals novel pathways and causal configurations contributing to well-being. Highlighting mindfulness’s mediating role and multidimensional nature, the study offers actionable insights that bridge theory and practice, advancing mental health promotion and guiding more comprehensive interventions.
Assessing the impact of emojis in personality-imbued chatbots: insights from an academic advising perspective
Authors: Kuhail Mohammad Amin , AL-Shamaileh Ons , Thomas Justin , Thornquist Erik , Shah Syed Jawad Hussain 
Published: January 2025

PurposeThis study investigates the impact of emoji use and user personality traits (conscientiousness vs extraversion) on user behavior in the context of academic advising. It uniquely considers the interaction between these chatbot characteristics and human users' dominant personality traits (conscientiousness and extraversion).Design/methodology/approachA mixed-factor design experiment involving 153 university students was employed. Participants interacted with four different chatbot conditions: a conscientious bot and an extroverted bot, each with and without emojis.FindingsThe inclusion of emojis negatively influenced users' intentions to use the chatbots but did not affect trust, perceived authenticity or intended engagement with the bots. Additionally, the students' personality traits played a role in evaluating the different chatbot types.Originality/valueThis research introduces a novel approach by integrating emoji use and human personality traits into chatbot communication, focusing on academic advising. It examines the interaction effects of emojis and personality traits (conscientiousness and extraversion) on user behavior, also considering the user’s personality traits. This work enriches the human-computer interaction field and guides future chatbot development.
Developing a data quality assurance ontology for research data repositories
Authors: Lee Dong Joon , Stvilia Besiki , Gunaydin Fatih , Pang Yuanying 
Published: January 2025

PurposeData quality assurance (DQA) is essential for enabling the sharing and reuse of research data, especially given the increasing focus on data transparency, reproducibility, credibility and validity in research. Although the literature on research data curation is vast, there remains a lack of theory-guided exploration of DQA modeling in research data repositories (RDRs).Design/methodology/approachThis study addresses this gap by examining 12 distinct cases of DQA-related knowledge organization tools, including four metadata vocabularies, three metadata schemas, one ontology and four standards used to guide DQA work in RDRs.FindingsThe study analyzed the cases utilizing a theoretical framework based on activity theory and data quality literature and synthesized a model and a knowledge artifact, a DQA ontology (DQAO, Lee et al., 2024), that encodes a DQA theory for RDRs. The ontology includes 127 classes, 44 object properties, 7 data properties and 18 instances. The article also uses problem scenarios to illustrate how the DQAO can be integrated into the FAIR ecosystem.Originality/valueThe study provides valuable insights into DQA theory and practice in RDRs and offers a DQA ontology for designing, evaluating and integrating DQA workflows within RDRs.
Her presence matters – female owners and firm innovation in India
Authors: Biswas Shreya 
Published: January 2025

PurposeThe study examines the relationship between having a female owner and firm innovation in India.Design/methodology/approachThe paper employs a linear probability model as well as probit specification to assess the empirical relationship between female ownership and innovation. To ensure that the results are not driven by endogeneity related to the female owner variable, the paper also uses a propensity score matching method and instrumental variable approach.FindingsThe study finds that having a female owner increases firm’s likelihood of innovation in India. We use three measures of innovation given by product innovation, process innovation and engagement in R&D. The positive relationship between a female owner and innovation is driven by the set of more gender equal states. We find that the relationship is weaker for older firms and firms facing financing constraints. Further, we find that firms having female owners are more likely to conduct a formal training of their employees. This can possibly be one of the channels through which female owners improve firm innovation.Originality/valueThis study highlights the need to promote female ownership as a potential channel for promoting firm innovation in emerging economies like India. It also emphasizes the fact that female owners tend to train their employees, which is the channel through which it enhances firm innovation. The findings also highlight that regional gender equality is necessary for female owners to influence firm innovation.
A sustainable and resilient humanitarian relief chain network design for distributing assembled relief items dynamically considering perishability, under disruption
Authors: Shafiee Motlaq-Kashani Atousa , Rabbani Masoud , Aghsami Amir 
Published: January 2025

Purpose
Due to mitigate against natural disasters like earthquake and to distribute relief items, designing humanitarian relief chain networks is an attentional issue. Agile and efficient distribution of relief items after occurring a disaster is significant, especially when some of the relief items are perishable. Therefore, the purpose of this paper is to create a resilient and integrated decision-making structure to distribute relief items at demand points, considering two dimensions of sustainability, under disruption.

Design/methodology/approach
This study developed a mixed-integer nonlinear mathematical model to handle the pre- and post-disaster planning when a disaster occurs. The represented model has two objective functions: minimizing weighted unmet demand and total costs. Therefore, to convert this multi-objective problem into a single objective one, the e-constraint method was applied.

Findings
The main results showed that considering some resilience strategies has a significant effect in reducing the weighted amount of unmet demand and saves the total costs. More precisely, considering resilience strategies results in a 60% reduction in total unmet demand and 11% reduction in total pre-positioning costs. On the other hand, reducing the maximum response time with applying resilience strategies is another achievement of the present study. For these reasons, the use of these strategies can reduce people’s pain and suffer from natural disasters. In general, the application and effectiveness of sustainability dimensions and resilience strategies in the introduced humanitarian relief chain network were analyzed.

Practical implications
To verify the applicability of this study, this model is applied on a probable real-life case study in Tehran. Finally, some managerial insights are discussed to help humanitarian organizations, managers and stakeholders to make better decisions to reduce negative effects of natural disasters.

Originality/value
This paper introduced a two-stage stochastic mathematical model for designing a resilient humanitarian relief chain network under disruption, at pre- and post-disaster stages. Also, economic and social dimensions of sustainability are considered in this study. Moreover, assembling perishable and im-perishable relief items as relief kits, dynamically is a main contribution of this research.