bluuebunny/crossref_metadata_2025_split huggingface dataset:
Real-Time Visualization of Protein Microenvironment Changes with High Spatial Resolution in Live Cells via Site-Specific Incorporation of Rotor-Based Fluorescent Noncanonical Amino Acids
Authors: Yang Shudan , Jin Shikai , Zhang Mengxi , Chen Yuda , Guo Yiming , Hu Yu , Wolynes Peter G. , Xiao Han 
Published: October 2024

AbstractTraditional methods, such as the use of fluorescent protein fusions and environment-sensitive fluorophores, have limitations when studying protein microenvironment changes at the finest spatial resolution. These techniques often rely on bulky proteins or tags restricted to the N- or C-terminus, which can disrupt the natural behavior of the target protein and dramatically limit the ability of their method to investigate noninvasively microenvironment effects. To overcome these challenges, we have developed an innovative strategy to visualize microenvironment changes of protein substructures in real-time by genetically incorporating environment-sensitive noncanonical amino acids (ncAAs) containing rotor-based fluorophores (RBFs) at specific positions within a protein of interest. Through computational redesign of aminoacyl-tRNA synthetase, we successfully incorporated these rotor-based ncAAs into various proteins in mammalian cells. By site-specifically placing these ncAAs in distinct regions of proteins, we detected microenvironmental changes of several different protein domains during events such as aggregation, clustering, aggregation disassembly, and cluster dissociation.
Generative AI for Drug Discovery: A GPT-2 and LSTM Based Models for Designing EGFR Inhibitors
Authors: Dasser Omar , Benaceur Othman Filali , Fadel Salma 
Published: October 2024

AbstractThe design of novel EGFR inhibitors is a critical focus in cancer drug discovery. This study leverages generative AI models, specifically fine-tuned GPT-2 and LSTM architectures, to generate new chemical structures targeting the Epidermal Growth Factor Receptor (EGFR). The models were trained on a curated dataset of approximately 500,000 bioactive ligands from the ChEMBL database, with SMILES strings as input. After generating a batch of 1,000 molecules, post-generation filtering was applied based on Lipinski’s rule of five, Quantitative Estimate of Drug-likeness (QED), and Synthetic Accessibility Scores (SAS) to ensure drug-like properties. Molecular docking studies were performed using PyRx with AutoDock Vina, focusing on the crystal structure of EGFR (PDB ID: 1M17). The LSTM model outperformed GPT-2, achieving a higher validity rate (90.98% vs. 52.27%) and similar uniqueness rates, while also producing molecules with stronger binding affinities, ranging from -9.4 to -10.4 kcal/mol. The results indicate that the LSTM model is more effective for generating chemically valid EGFR inhibitors, offering promising candidates for further experimental validation. This study demonstrates the potential of generative AI to accelerate the identification of effective cancer therapeutics.
Key contribution of prefrontal inhibition to passive coping behaviour: chronic stress and fast-acting antidepressant
Authors: Fong Tsz Hei , Li Tianxiang , Ma Xiaoyan , Cai Xiang , Zhou Qiang 
Published: October 2024

AbstractPersistent passive coping behaviour is a hallmark feature in major depression and is reversed by fast-acting antidepressants (such as ketamine). This behaviour is regulated by a specific cortico-midbrain circuit. However, whether the prefrontal cortex (PFC), especially inhibition in PFC, contributes to the modulation of passive coping, and whether this modulation is important for mediating the impacts of chronic stress and/or fast-acting antidepressants, are poorly understood. Here, we found that rostral prelimbic cortex (rPL) bidirectionally controls the occurrence of passive coping behaviour where excitatory and inhibitory neurons play opposite roles. Chronic stress leads to reduced excitation/inhibition (E/I) ratio, reflected as alterations inin vivospiking rate, synaptic inputs and intrinsic excitability of both excitatory and inhibitory neurons. A fast-acting antidepressant, (2R, 6R)-hydroxynorketamine (HNK), reduced passive coping behaviour, restored rPL E/I ratio and partially reversed altered properties in rPL neurons, in chronically stressed mice. Importantly, chronic stress and HNK mostly affected fast-spiking/parvalbumin inhibitory neurons instead of other inhibitory neurons, indicating the important role of this subtype of inhibitory neurons in the above processes. These findings demonstrate the importance of rPL E/I balance in regulating passive coping, which can be modulated by chronic stress and rapidly restored by fast-acting antidepressant.
Impact of transportation on the suitability of corneal lenticule for implantation
Authors: Soo Jenetta Y. W. , Tan Gabriel , Han Evelina , Boey Kenny P. Y. , Liu Yu-Chi , Mehta Jodhbir S. , Riau Andri K. 
Published: October 2024

AbstractBackgroundCorneal lenticules can be banked and retrieved for vision-restoring surgeries. Extended transportation logistic delays from the lenticule bank to the clinic could be a concern. This study investigated the effects of transportation on the lenticules.MethodsLenticules were cryopreserved at a Ministry of Health-licensed lenticule bank for 1 year and were transported at 4°C. The transparency was measured daily until significant degradation was notable, compared to fresh lenticules from donor corneas (n=3). The molecular and ultrastructural integrity of lenticules after 1 day in transport (n=3) and on the day of transparency deterioration (n=3) was evaluated by histochemistry and transmission electron microscopy (TEM). In addition, 6 rabbits were implanted with these lenticules to assess the difference in postoperative outcomes by corneal imaging, immunofluorescence staining, and TEM.ResultsLenticules showed a significant transparency reduction after 6 days in transit (p=0.002). The change was not caused by molecular alterations but by a greater distribution shift in the interfibrillar distance (IFD) (Z=4.419; p<0.001) and fibrillar diameter (FD) (Z=6.435; p<0.001). Post-implantation, day 6 lenticules exhibited greater haze and slower recovery of clarity compared to fresher lenticules, despite corneal imaging and immunofluorescence staining showing no fibrosis, inflammation, or vascularization in either group. With TEM, the discrepancy was revealed due to the difference in the recovery of IFD and FD distribution.ConclusionsBanked lenticules can maintain transparency for up to 5 days of transportation at 4°C. Further delays compromise their ultrastructural integrity and postoperative clarity, emphasizing the need to factor in transportation in lenticule banking logistics.
Integrative Transcriptomic Profiling of NK Cells and Monocytes: Advancing Diagnostic and Therapeutic Strategies for COVID-19
Authors: Loukman Salma , Ben Mrid Reda , Bouchmaa Najat , Hboub Hicham , El Fatimy Rachid , Benhida Rachid 
Published: October 2024

AbstractIn this study, we use integrated transcriptomic datasets from the GEO repository with the purpose of investigating immune dysregulation in COVID-19. Thus, in this context, we decided to be focused on NK cells and CD14+ monocytes gene expression, considering datasets GSE165461 and GSE198256, respectively. Other datasets with PBMCs, lung, olfactory, and sensory epithelium and lymph were used to provide robust validation for our results. This approach gave an integrated view of the immune responses in COVID-19, pointing out a set of potential biomarkers and therapeutic targets with special regard to standards of physiological conditions. IFI27, MKI67, CENPF, MBP, HBA2, TMEM158, THBD, HBA1, LHFPL2, SLA, and AC104564.3 were identified as key genes from our analysis that have critical biological processes related to inflammation, immune regulation, oxidative stress, and metabolic processes. Consequently, such processes are important in understanding the heterogeneous clinical manifestations of COVID-19—from acute to long-term effects now known as ‘long COVID’. Subsequent validation with additional datasets consolidated these genes as robust biomarkers with an important role in the diagnosis of COVID-19 and the prediction of its severity. Moreover, their enrichment in key pathophysiological pathways presented them as potential targets for therapeutic intervention.The results provide insight into the molecular dynamics of COVID-19 caused by cells such as NK cells and other monocytes. Thus, this study constitutes a solid basis for targeted diagnostic and therapeutic development and makes relevant contributions to ongoing research efforts toward better management and mitigation of the pandemic.
Humans are resource-rational predictors in a sequence learning task
Authors: Ferdinand Vanessa , Yu Amy , Marzen Sarah 
Published: October 2024

AbstractOrganisms can solve complex tasks despite having limited cognitive resources when those resources are used optimally. Doing so optimally makes an organism “resource-rational”. In this paper, we show for the first time that humans are resource-rational at prediction. In a novel sequence learning experiment, participants predict data generated from hidden Markov models (HMMs) and receive online feedback via clicker training. We compute the predictive rateaccuracy (PRA) curve for each HMM to solve for the highest accuracy achievable for a given cognitive capacity, or “rate”, quantified as the mutual information between participants’ predictions and the underlying causal state of the sequence being predicted. We found that the majority of participants achieve near-optimal prediction with various cognitive capacities, despite performing well below the maximum predictive accuracy on the task overall. We also show that this information-theoretic approach to measuring cognitive capacity can be grounded in the established psychological science concept of working memory: participants who extracted higher quantities of mutual information in the sequence learning task showed significantly higher working memory in a complex digit span test. This research provides new avenues for assessing smart behavior in difficult prediction tasks, provides a new methodology for assessing resource-rationality, and provides evidence that humans are resource-rational predictors.
Under the iceberg of “one-stop”: explore multi-actor engagement in one-stop digital cultural platforms through actor-network and commons theories
Authors: Rao Zixin , Liu Shuxian , Xiao Peng 
Published: October 2024

PurposeThis study investigates the roles and interactions of various actors of one-stop digital culture platforms (ODCPs) by applying actor-network theory (ANT).Design/methodology/approachData were collected from focus group interviews with 19 participants and over 20 policy texts related to the digitization of cultural services in China. Utilizing ANT as the analytical framework, we employed the grounded theory to analyze the dataset.FindingsThe empirical results indicate that: (1) governments, cultural institutions, enterprises and users each play dual roles, contributing to the functionality and development of ODCPs; (2) introduces the theory of commons to reconceptualize ODCPs as commons, highlighting the need for collective management and shared responsibility in the governance of ODCPs.Originality/valueThis study identifies and elaborates on the different roles of stakeholders and addresses conceptual ambiguities within ODCP projects. By introducing the theory of commons into the governance of ODCPs, this research provides new theoretical guidance for decision-makers and practitioners involved in ODCP projects.
Efficient computation of magnetic polarizability tensor spectral signatures for object characterisation in metal detection
Authors: Elgy James , Ledger Paul David 
Published: October 2024

PurposeMagnetic polarizability tensors (MPTs) provide an economical characterisation of conducting magnetic metallic objects and their spectral signature can aid in the solution of metal detection inverse problems, such as scrap metal sorting, searching for unexploded ordnance in areas of former conflict and security screening at event venues and transport hubs. In this work, the authors aim to discuss methods for efficiently building large dictionaries for classification approaches.Design/methodology/approachPrevious work has established explicit formulae for MPT coefficients, underpinned by a rigorous mathematical theory. To assist with the efficient computation of MPTs at differing parameters and objects of interest, this work applies new observations about the way the MPT coefficients can be computed. Furthermore, the authors discuss discretisation strategies for hp-finite elements on meshes of unstructured tetrahedra combined with prismatic boundary layer elements for resolving thin skin depths and using an adaptive proper orthogonal decomposition (POD) reduced-order modelling methodology to accelerate computations for varying parameters.FindingsThe success of the proposed methodologies is demonstrated using a series of examples. A significant reduction in computational effort is observed across all examples. The authors identify and recommend a simple discretisation strategy and improved accuracy is obtained using adaptive POD.Originality/valueThe authors present novel computations, timings and error certificates of MPT characterisations of realistic objects made of magnetic materials. A novel postprocessing implementation is introduced and an adaptive POD algorithm is demonstrated.
Green beauty: examining factors shaping millennials’ attitudes toward organic personal care products in South Africa
Authors: Lupindo Mongezi , Madinga Nkosivile Welcome , Dlamini Siphiwe 
Published: October 2024

PurposeThis study aims to explore the factors that influence millennials’ attitudes toward organic personal care products, focusing on the role of health consciousness, environmental concerns and quality perceptions.Design/methodology/approachAn electronic, self-administered survey was used to collect 377 responses. The data analysis utilized partial least squares structural equation modeling (PLS-SEM).FindingsThe findings reveal that environmental concerns, health consciousness and perceived behavioral control play a significant role in shaping millennials’ attitudes toward organic personal care products, while the perceived quality of organic personal care products significantly influences their purchase intentions.Practical implicationsThe results of this study provide valuable insights for personal care product manufacturers, retailers and marketers looking to target millennial consumers. By understanding the key factors that influence millennials’ attitudes and purchase intentions, marketers in the personal care product industry can tailor their strategies effectively.Social implicationsThe study’s findings inform strategies that promote healthier and more environmentally conscious consumer behavior. This aligns with broader societal goals of promoting sustainability and health consciousness, contributing to a more environmentally and socially responsible consumer culture.Originality/valueThe study’s contribution lies in its focused exploration of the interplay between health consciousness, environmental concerns and quality perceptions on millennials’ attitudes toward organic personal care products.
The nexus between digital financial knowledge and financial inclusion: digital financial attitudes and behaviour as mediators enhancing financial inclusion
Authors: Zaimovic Azra , Omanovic Adna , Nuhic Meskovic Minela , Arnaut-Berilo Almira , Zaimovic Tarik , Dedovic Lejla , Torlakovic Anes 
Published: October 2024

Purpose The purpose of this study is to measure financial inclusion (FI) and to examine the role of digital financial literacy (DFL) and its components, and various socio-demographics in relation to FI. In addition, the mediating effect of digital financial attitudes (DFA) on the relationship between digital financial knowledge (DFK) and digital financial behaviour (DFB), as well mediating effect of DFA and DFB on the relationship between DFK and FI, is being explored.Design/methodology/approach Using a cross-sectional research design, we utilize a dataset from the survey of adults’ financial literacy in Bosnia and Herzegovina, collected from the representative sample of 1,096 adults in 2022. The main methodology relies on logistic and ordinal logistic regression analyses and PROCESS for mediation analyses.Findings The findings suggest that the effect of DFK on DFB is partially mediated by DFA. In addition, the effect of DFK on FI is fully mediated through three pathways: DFA, DFB, and DFA and DFB in serial mediation. Age, education, employment status and residence are significantly related to FI. Internet access is significant only for FI scores but not for adults’ banking status. Although women are almost twice as unbanked as men, we find no gender-based differences in financial product holdings, FI or adults’ banking status.Practical implications There is a need to enhance DFK and DFA to enable adults to use financial products. Financial institutions could use our results in designing and promoting their services.Social implications Policy implications are seen in the need for developing national strategies for financial education, with an emphasis on strengthening DFL, especially DFK and DFA, which will enhance the formal FI of adults. Also, governments should work on expanding Internet access.Originality/value The results make a contribution to the theory of planned behaviour. They contribute to the limited empirical evidence of the mediating role of DFA in relationship to DFB, as well as the mediating role of DFA and DFB in relationship to FI.
Promoting sustainability literacy for students in Thai higher education institution: a case of Siam University
Authors: Rukspollmuang Chanita , Chansema Tachagorn 
Published: October 2024

PurposeThe objectives of this study were (1) to explore and analyze sustainability literacy of undergraduate students and (2) to propose guidelines for promoting sustainability literacy of the undergraduate students at Siam University, Bangkok, Thailand.Design/methodology/approachA 5-point rating scale survey questionnaire was used to collect data from 235 students registered in General Education courses in Semester 2 of academic year 2022. The analyzed data was presented to a focus group discussion, conducted with 19 internal and external stakeholders, as a basis to propose guidelines for promoting sustainability literacy.FindingsThe students perceived that they had better knowledge about sustainable development and sustainable development goals (SDGs) and that their knowledge about and degree of participation in SDGs-related activities were at high level. Intrapersonal competence was rated as their highest sustainability competence, followed by futures-thinking, and systems-thinking. The focus-group suggested that competency-based GE curriculum should be used as a platform to enhance sustainability literacy. Guidelines concerning learning outcomes, learning content, learning culture, learning with technology, and learning assessment were then proposed.Research limitations/implicationsThe study’s methodological limitations include the use of purposive sample case of the Siam University and self-perceiving assessment survey instrument for the data collection that provide sufficient insights on the present state and problems concerning sustainability literacy of university students.Practical implicationsSustainability is one of the national pillars in Thailand 20 years strategy (2018–2037). Hence, the government encourages all educational institutions, including universities to transform themselves toward this goal. Siam University has used education program as a vehicle to meet this aspiration. Lesson learnt from the study will not only benefit the university per se but will be valuable for practices in other universities. In addition, findings and implications from the study will help accelerate the transformation of Thai higher education institutions toward sustainable universities.Social implicationsSustainability has been promoted in education and social context. Siam University is recognized as a leading university in promoting campus and community sustainability through our “living learning lab” approach. We have used social living labs for teaching and learning activities for years. Partnerships among academia, private and public sectors, as well as community members will benefit from this research.Originality/valueThe study explores the scholarly topic of significant social importance and implications in the Thai context. The present study on sustainability literacy opens a path for further research and cross-institutional and national comparative studies on the issue.
Hero's journey as a framework to study a project manager
Authors: Eskerod Pernille , Hollensen Svend 
Published: October 2024

PurposeThe purpose of this study is to explore which insights the hero’s journey framework provides to the micro-level perspective of the process a project manager goes through in a project.Design/methodology/approachThe study design involves a longitudinal qualitative case study in which we follow a project manager over the course of two projects. In Canada, the project manager undertook the world’s first hotel rooftop honeybee garden project. Later, he implemented a rooftop honeybee garden at the Waldorf Astoria New York. The stages and archetypes within the hero’s journey framework are used as an analytical grid for analysis.FindingsOur research reveals how the hero’s journey framework can be utilized as a lens to understand the process of a project from the viewpoint of the project manager. The research shows that projects can have comprehensive stages and transform the project managers themselves.Research limitations/implicationsThe research investigates small-scale projects that are peripheral to the core business of the case organizations. A limitation is that the findings may not be applicable for bigger, more complex and core business projects. Another limitation is that the research relies on secondary data only. Two managerial implications: For a project manager to start out on a hero’s journey, triggers that make the project manager respond to “a calling” need to be present. The project manager must be able to deal with different archetypes, whether helpful or harmful, along the process.Originality/valueThe research extends existing knowledge on a project manager’s decisions, obstacles, opportunities, thoughts, emotions and actions through the project process by showing how the hero’s journey framework can be used as a supplement to the well-known metaphor of a project as a temporary organization. Further on, the research demonstrates how an analytical framework can enhance the understanding of the process of a project manager from a micro-level perspective. In addition, the research deals with corporate social responsibility (CSR) related projects that are of high relevance in the contemporary society.