cometadata/datacite-rtg-text-other-reclassification-records huggingface dataset:
Computational design of a multi-epitope vaccine candidate against Langya henipavirus using surface proteins
Creators: name: Ahmad, Sajjad
name: Nazarian, Shahin
name: Alizadeh, Akram
name: Hajialilou, Maryam Pashapour
name: Tahmasebian, Shahram
name: Alharbi, Metab
name: Alasmari, Abdullah F.
name: Shojaeian, Ali
name: Ghatrehsamani, Mahdi
name: Irfan, Muhammad
name: Pazoki-Toroudi, Hamidreza
name: Sanami, Samira
Publisher: name: Taylor & Francis
Year: 2023
Subjects: subject: Biochemistry
subject: Medicine
subject: Microbiology
subject: FOS: Biological sciences
subject: Biotechnology
subject: Immunology
subject: FOS: Clinical medicine
subject: Biological Sciences not elsewhere classified
subject: Information Systems not elsewhere classified
subject: Cancer
subject: Infectious Diseases
subject: FOS: Health sciences

description: In July 2022, Langya henipavirus (LayV) was identified in febrile patients in China. There is currently no approved vaccine against this virus. Therefore, this research aimed to design a multi-epitope vaccine against LayV using reverse vaccinology. The best epitopes were selected from LayV's fusion protein (F) and glycoprotein (G), and a multi-epitope vaccine was designed using these epitopes, adjuvant, and appropriate linkers. The physicochemical properties, antigenicity, allergenicity, toxicity, and solubility of the vaccine were evaluated. The vaccine’s secondary and 3D structures were predicted, and molecular docking and molecular dynamics (MD) simulations were used to assess the vaccine’s interaction and stability with toll-like receptor 4 (TLR4). Immune simulation, codon optimization, and in silico cloning of the vaccine were also performed. The vaccine candidate showed good physicochemical properties, as well as being antigenic, non-allergenic, and non-toxic, with acceptable solubility. Molecular docking and MD simulation revealed that the vaccine and TLR4 have stable interactions. Furthermore, immunological simulation of the vaccine indicated its ability to elicit immune responses against LayV. The vaccine’s increased expression was also ensured using codon optimization. This study’s findings were encouraging, but in vitro and in vivo tests are needed to confirm the vaccine’s protective effect. Communicated by Ramaswamy H. Sarma
Empowering Edge Intelligence: A Comprehensive Survey on On-Device AI Models
Creators: name: Wang, Xubin
name: Tang, Zhiqing
name: Guo, Jianxiong
name: Meng, Tianhui
name: Wang, Chenhao
name: Wang, Tian
name: Jia, Weijia
Publisher: name: arXiv
Year: 2025
Subjects: subject: Artificial Intelligence (cs.AI)
subject: Machine Learning (cs.LG)
subject: Networking and Internet Architecture (cs.NI)
subject: FOS: Computer and information sciences

description: The rapid advancement of artificial intelligence (AI) technologies has led to an increasing deployment of AI models on edge and terminal devices, driven by the proliferation of the Internet of Things (IoT) and the need for real-time data processing. This survey comprehensively explores the current state, technical challenges, and future trends of on-device AI models. We define on-device AI models as those designed to perform local data processing and inference, emphasizing their characteristics such as real-time performance, resource constraints, and enhanced data privacy. The survey is structured around key themes, including the fundamental concepts of AI models, application scenarios across various domains, and the technical challenges faced in edge environments. We also discuss optimization and implementation strategies, such as data preprocessing, model compression, and hardware acceleration, which are essential for effective deployment. Furthermore, we examine the impact of emerging technologies, including edge computing and foundation models, on the evolution of on-device AI models. By providing a structured overview of the challenges, solutions, and future directions, this survey aims to facilitate further research and application of on-device AI, ultimately contributing to the advancement of intelligent systems in everyday life.
description: This paper has been accepted by ACM Computing Surveys
A Typical Canadian Constitutional Story : The Mechanization of the Notwithstanding Clause as a Tool for Decentralization
Creators: name: Salamatian, Siavash
Publisher: name: The University of British Columbia
Year: 2024

description: The individual rights override provision (the notwithstanding clause) included in the 1982, Canadian Charter of Rights and Freedoms had traditionally been viewed as a mechanism that outside of Quebec was too politically costly to use. This understanding of the clause has rapidly shifted in recent years with provincial leaders having musings about a more frequent use of the clause. This paper employs a mixed-methods approach in its study. I first measured public opinion since 1988 on who Canadians believe should adjudicate Charter disputes. I then employ an original theoretical table to compare the discourse of the drafters of the 1982 Constitution with the current provincial leaders who have used the clause to track changes on how permissive elites believe a use of the notwithstanding clause should be and for what uses it can be invoked. Finally, to empirically test whether a ‘federalism’ use of the clause is actually reflected in public opinion, I identified several invocations of the clause and tested provincial sentiments towards those particular issues in comparison to the national values. Ultimately, I find that there is increasing trust in the provinces over the federal government; elite discourse suggests that there is now a more permissive understanding of using the clause for federalism purposes; and when the clause is invoked there is a difference in preferences between that province and the rest of Canada. However, the findings of the last theory may not be entirely due to provincial differences. The key contribution of this research is to look at the notwithstanding clause as a mechanism that is being used to express provincial differences in the federation, rather than solely a political choice to avoid accountability.
Side effects based network construction and drug repositioning of ropinirole as a potential molecule for Alzheimer’s disease: an in-silico, in-vitro, and in-vivo study
Creators: name: Chakkittukandiyil, Amritha
name: Chakraborty, Saurav
name: Kothandan, Ram
name: Rymbai, Emdormi
name: Muthu, Santhosh Kumar
name: Vasu, Soumya
name: Sajini, Deepak Vasudevan
name: Sugumar, Deepa
name: Mohammad, Zubair Baba
name: Jayaram, Saravanan
name: Rajagopal, Kalirajan
name: Ramachandran, Vadivelan
name: Selvaraj, Divakar
Publisher: name: Taylor & Francis
Year: 2023
Subjects: Biochemistry
Molecular Biology
Neuroscience
Pharmacology
Biotechnology
Chemical Sciences not elsewhere classified
Biological Sciences not elsewhere classified
Cancer
Mental Health

description: Alzheimer’s disease (AD) is the leading cause of dementia in older adults. Drug repositioning is a process of finding new therapeutic applications for existing drugs. One of the methods in drug repositioning is to use the side-effect profile of a drug to identify a new therapeutic indication. The drugs with similar side-effects may act on similar biological targets and could affect the same biochemical process. In this study, we explored the Food and Drug Administration-approved drugs using PROMISCUOUS database to find those that have adverse effects profile comparable with the ligands being studied or used to treat AD. Here, we found that the ropinirole, a dopamine receptor agonist, shared a maximum number of side-effects with the drugs proven beneficial for treating AD. Furthermore, molecular modelling demonstrated that ropinirole exhibited strong binding affinity (−9.313 kcal/mol) and best ligand efficiency (0.49) with sigma-1 receptor. Here, we observed that the quaternary amino group of ropinirole is essential for binding with sigma-1 receptor. Molecular dynamic simulation indicated that the movement of the carboxy-terminal helices (α4/α5) could play a major role in the receptor’s physiological functions. The neurotoxicity induced by Aβ25–35 in SH-SY5Y cells was reduced by ropinirole at concentrations 10, 30, and 50 µM. The effect on spatial learning and memory was examined in mice with Aβ25–35 induced memory deficit using the radial arm maze. Ropinirole (10 and 20 mg/kg) significantly improved the short and long-term memories in the radial arm maze test. Our results suggest that ropinirole has the potential to be repositioned for AD treatment. Communicated by Ramaswamy H. Sarma
Supplementary document for Free-space creation of a perfect vortex beam with fractional topological charge - 6204327.pdf
Creators: name: Wang, Guanxue
name: weng, xiaoyu
name: Kang, Xiangyu
name: Li, Ziyan
name: Chen, Keyu
name: Gao, Xiumin
name: zhuang, songlin
Publisher: name: Optica Publishing Group
Year: 2023
Subjects: Classical and Physical Optics

description: Supplemental Document
AI-Based Analytics for Chronic Obstructive Pulmonary Disease
Creators: name: Researchscholar
Publisher: name: Zenodo
Year: 2025

description: Chronic Obstructive Pulmonary Disease (COPD) is a major cause of global morbidity and mortality, characterized by progressive airflow limitation and frequent exacerbations. Early detection, accurate diagnosis, and effective management are critical to improving patient outcomes and reducing healthcare costs. Traditional methods of diagnosis and monitoring have limitations, especially in the context of the disease's complex, heterogeneous nature. This paper explores the role of Artificial Intelligence (AI) in enhancing COPD management through data-driven analytics. It examines how AI-based techniques, including machine learning (ML), deep learning (DL), and natural language processing (NLP), can be leveraged to predict exacerbations, personalize treatment plans, and monitor disease progression in real-time. The paper also discusses various data sources, including electronic health records (EHRs), wearable devices, and imaging, and highlights the importance of effective data preprocessing. Real-world case studies and clinical implementations demonstrate the effectiveness of AI models in predicting acute events and improving patient outcomes. Ethical, legal, and practical considerations, such as data privacy, model transparency, and integration into clinical workflows, are also addressed. The paper concludes with a discussion of future directions, including multimodal data integration, continuous learning systems, and remote monitoring technologies. AI-based analytics hold the potential to revolutionize COPD care, offering a more personalized, efficient, and proactive approach to managing this chronic disease.
In silico identification of novel heterocyclic compounds combats Alzheimer’s disease through inhibition of butyrylcholinesterase enzymatic activity
Creators: name: Nguyen, Hai Duc
Publisher: name: Taylor & Francis
Year: 2023
Subjects: Biochemistry
Medicine
Pharmacology
Biotechnology
Chemical Sciences not elsewhere classified
Biological Sciences not elsewhere classified
Information Systems not elsewhere classified

description: Increasing evidence indicates that heterocyclic molecules possess properties against butyrylcholinesterase (BChE) enzymatic activity, which is a potential therapeutic target for Alzheimer's disease (AD). Thus, this study aimed to further evaluate the relationship between heterocyclic molecules and their biological activities. A dataset of 38 selective and potent heterocyclic compounds (−log[the half‑maximal inhibitory concentration (pIC50)]) values ranging from 8.02 to 10.05) was applied to construct a quantitative structure-activity relationship (QSAR) study, including Bayesian model average (BMA), artificial neural network (ANN), multiple nonlinear regression (MNLR), and multiple linear regression (MLR) models. Four models met statistical acceptance in internal and external validation. The ANN model was superior to other models in predicting the pIC50 of the outcome. The descriptors put into the models were found to be comparable with the target-ligand complex X-ray structures, making these models interpretable. Three selected molecules possess drug-like properties (pIC50 values ranged from 9.19 to 9.54). The docking score between candidates and the BChE receptor (RCSB ID 6EYF) ranged from −8.4 to −9.0 kcal/mol. Remarkably, the pharmacokinetics, biological activities, molecular dynamics, and physicochemical properties of compound 18 (C20H22N4O, pIC50 value = 9.33, oxadiazole derivative group) support its protective effects on AD treatment due to its non-toxic nature, non-carcinogen, cholinergic nature, capability to penetrate the blood-brain barrier, and high gastrointestinal absorption. Communicated by Ramaswamy H. Sarma
Transcending Political Dissonances : Music as an Instrument of Diplomacy
Creators: name: Kakegawa, Uno
Publisher: name: The University of British Columbia
Year: 2024

description: While the intersection of music and politics has garnered some attention in scholarly discourse, the role of instrumental music as a soft power tool in diplomacy remains underexamined. This thesis bridges this gap by exploring the transformative capacity of instrumental music in influencing socio-political norms and international relations in both state sponsored and non-state sponsored contexts. Using a critical aesthetic approach that synthesizes Adorno’s understanding of music and Said’s concept of “the Other”, my research examines the powerful potential of music as a diplomatic tool. To further my analysis, I adopt a mixed-methods approach to apply my theoretical framework to two case studies: the state-sponsored American Jazz Ambassadors and the non-state-sponsored West-Eastern Divan Orchestra. These examples demonstrate how music can operate as an agent of cultural exchange and foster understanding among politically divided groups, ultimately shaping socio-political norms and influencing power dynamics. By transcending cultural and linguistic boundaries, instrumental music emerges as a unique artistic medium that facilitates cross-cultural exchange and transforms the diplomatic landscape. My analysis and findings demonstrate the multifaceted nature of musical diplomacy and contribute to an in-depth understanding of international relations and soft power discourse. Consequently, my research advances the existing literature by integrating critical aesthetic theory into contemporary diplomatic practices and analyzing how instrumental music can be utilized as a diplomatic tool for societal transformation and cross-cultural dialogue.
Exploring conformation changes of Janus kinase 2 pseudokinase mediated by mutations through Gaussian accelerated molecular dynamics and principal component analysis
Creators: name: Bao, Huayin
name: He, Weikai
name: Chen, Jianzhong
Publisher: name: Taylor & Francis
Year: 2023
Subjects: subject: Biophysics
subject: Biochemistry
subject: Genetics
subject: FOS: Biological sciences
subject: Molecular Biology
subject: Neuroscience
subject: Chemical Sciences not elsewhere classified
subject: Biological Sciences not elsewhere classified
subject: Computational Biology

description: The pseudokinase domain (JH2) of the protein tyrosine kinase (Janus kinase 2, JAK2) regulates the activity of a tyrosine kinase domain (JH1) in JAK2, which is further affected by mutations in the JH2. In this work, Gaussian accelerated molecular dynamics (GaMD) simulations followed by construction of free energy landscapes (FELs) and principal component analysis (PCA) were performed to study effect of two mutations V617F and V617F/E596A on the conformations of the ATP-bound JH2. The dynamic analyses reveal that mutations affect the structural flexibility and correlated motions of the JH2, meanwhile also change the dynamics behavior of the P-loop and αC-helix of the JH2. The information from FELs unveils that mutations induce less energy states than the free JH2 and the WT one. The analyses of interaction networks uncover that mutations affect the salt bridge interactions of ATP with K581, K677 and R715 and alter hydrogen bonding interactions (HBIs) of ATP with the JH2. The changes in conformations of the JH2 and ATP-JH2 interaction networks caused by mutations in turn generate effect on the activity regulations of the JH2 on the JH1. This work is expected to provide significant theoretical helps for deeply understanding the function of the JH2 and drug design toward JAK2. Communicated by Ramaswamy H. Sarma
Supplementary document for Perfect excitation and attenuation-free propagation of graphene surface polaritons under optical admittance matching - 6204561.pdf
Creators: name: Sun, Lixun
name: Li, Shuang
name: Xiao, Yuyang
name: Lu, Fanfan
name: Zhang, Wending
name: Mei, Ting
Publisher: name: Optica Publishing Group
Year: 2025
Subjects: Optical Physics not elsewhere classified

description: Supplementary Material
Phytoconstituents of Ashwagandha as potential inhibitors of human islet amyloid polypeptide (hIAPP): an in silico investigation
Creators: name: Nandeshwar
name: Rout, Janmejaya
name: Panda, Smita Manjari
name: Tripathy, Umakanta
Publisher: name: Taylor & Francis
Year: 2023
Subjects: subject: Biophysics
subject: Biochemistry
subject: Cell Biology
subject: Neuroscience
subject: Pharmacology
subject: Biotechnology
subject: Chemical Sciences not elsewhere classified
subject: Immunology
subject: FOS: Clinical medicine
subject: Biological Sciences not elsewhere classified
subject: Information Systems not elsewhere classified
subject: Cancer

description: Amylin or human islet amyloid polypeptide (hIAPP) is a small peptide co-secreted with insulin. Its peripheral aggregation on the lipid bilayer leads to fibril formation. The formation of hIAPP fibrils is hypothesized to rupture the membrane of β -cells, which culminates in β-cell death. Following additional studies, amylin fibril formation is a hallmark of T2DM and is also implicitly responsible for Alzheimer’s disease. This study reports the virtual screening of 1000 phytoconstituents of traditional Indian medicinal plants to get potential inhibitors of amylin, which will likely restrict and block amyloid aggregation, preventing the progression of T2DM and Alzheimer’s illness. The compounds having drug-likeness properties (acquired from ADMET calculations) and highest binding affinities (from molecular docking) are subjected to molecular dynamics (MD) simulation to investigate the temporal stability of the conformations of the complexes. This study discovers that Withaferin A and Withacoagulin have the highest binding affinity for amylin, and their stability with amylin was verified further by parameters such as RMSD, RMSF, number of H-bonds and MMPBSA. Individual principle component analysis (PCA) confirms the stable complex formation of amylin with Withaferin A and Withacoagulin. We strongly believe that wet-lab experiments and clinical trials will help to validate our computational findings. Communicated by Ramaswamy H. Sarma
Center For Astrophysics and Associated Technologies CATA
Creators: name: Treister, Ezequiel
Publisher: name: Zenodo
Year: 2022
Subjects: astronomy
Large Centers

description: The Center for Astrophysics and Related Technologies (CATA), started in 2008 is the largest government-funded astronomy center in Chile. After 13 years, it was recently renewed in November 2021 for another 5+5 years. In this new stage, CATA includes 5 member institutions: Universidad de Chile, U. Católica, de Concepción, Andrés Bello and Diego Portales. Considering the 50+ main and associated researchers, it includes roughly 1/3 of the astronomy community in Chile with permanent positions. Scientifically, CATA is organized in 7 research areas, ranging from Cosmology to Solar System science. In addition, it incorporates three instrumentation labs, at Universidad de Chile, Católica, and Concepción working on radio, mm/sub-mm, near-IR, and optical instruments. It also incorporates a computation group focused on simulations and theoretical astrophysics, big data, and machine learning. In this talk, I will present the structure and goals of this new stage of CATA, in addition to opportunities to participate and contribute to existing or new projects with the Chilean community and observatories in Chile
description: More information at https://forum-kavli-chile-2022.com/
COMPARATIVE ANALYSIS OF PRESCHOOL EDUCATION IN THE WORLD
Creators: name: Kashkynbaeva, Zagira
Publisher: name: Zenodo
Year: 2024

description: This article provides a comparative analysis of the preschool education system in different countries. The tasks set by the Western education system for pedagogy will be considered; they are based on a situational approach to the organization of the educational process, which orients pedagogy to the life situations that arise in children, thereby conducting training that is close to real life. The main characteristics of the situational approach are: complete interaction between play and the child’s learning. Based on the situational analysis, the learning process is planned.
In silico structural and mechanical insights into bedaquiline resistance associated with high-grade non-synonymous mutations in atpE, mmpR5, and pepQ
Creators: name: Chakraborty, Gourav
name: I.V, Ambily Nath
name: Sharma, Mukta
name: Sheth, Jigar
name: Kori, Mahima
name: Tiwari, Avlokita
name: Patra, Niladri
Publisher: name: Taylor & Francis
Year: 2023
Subjects: subject: Biophysics
subject: Biochemistry
subject: Medicine
subject: Genetics
subject: FOS: Biological sciences
subject: Molecular Biology
subject: Chemical Sciences not elsewhere classified
subject: Cancer
subject: Hematology
subject: Infectious Diseases
subject: FOS: Health sciences

description: Clinical resistance against bedaquiline (BDQ) remains intractable to anti-tuberculosis therapies since its introduction to the market over a decade ago. Herein, we investigated the structural and mechanical aspects of BDQ resistance in AtpE, MmpR5, and PepQ. The known target-specific resistant single non-synonymous mutations were refined to high-grade candidates. Thus, 7 (AtpE), 5 (MmpR5), and 1 (PepQ) single nucleotide polymorphisms (SNPs) and one insertion frameshift mutation in MmpR5 were recreated at the molecular level, and these phenotypic models were then directed to stringent dynamics to define time-scaled changes. The AtpE variants destabilized the structure; mainly, L59V, E61D, and I66M were detrimental to the complex fitness, while L74V and L114P boosted the BDQ binding to MmpR5. The first three and last two alterations gave rise to loss- and gain-of-function to AtpE and MmpR5, respectively. Hence, these five mutants are functionally relevant and therapeutically targetable hotspots of BDQ resistance. There were no noticeable changes in PepQ data analysis. The present study revealed that MmpR5 mutations confer BDQ resistance, whereas AtpE and PepQ SNPs display low susceptibility. These results were tallied with the published findings, which testified to the pursued method’s reliability and accuracy. We hope these data and inferences could be helpful for the futuristic design of novel TB drugs. Communicated by Ramaswamy H. Sarma
Unveiling the antiviral potential of Plant compounds from the Meliaceae family against the Zika virus through QSAR modeling and MD simulation analysis
Creators: name: Shukla, Divyanshi
name: Alanazi, Amer M.
name: Panda, Siva Prasad
name: Dwivedi, Vivek Dhar
name: Kamal, Mohammad Amjad
Publisher: name: Taylor & Francis
Year: 2024
Subjects: Biophysics
Biochemistry
Pharmacology
Biotechnology
Chemical Sciences not elsewhere classified
Biological Sciences not elsewhere classified
Information Systems not elsewhere classified
Cancer

description: Zika virus (ZIKV) is a flavivirus transmitted by mosquitoes, causing neurological disorders and congenital malformations. RNA-dependent RNA polymerase (RdRp) is one of its essential enzymes and a promising drug target for antiviral therapy due to its involvement in the growth and multiplication of the virus. In this study, we conducted a QSAR-based chemical library screening from the Meliaceae family to identify potential RdRp inhibitors. The QSAR model was built using the known inhibitors of RdRp NS5 of ZIKV and their biological activity (EC50), along with the structural and chemical characteristics of the compounds. The top two hit compounds were selected from QSAR screening for further analysis using molecular docking to evaluate their binding energies and intermolecular interactions with RdRp, including the critical residue Trp485. Furthermore, molecular dynamics (MD) simulations were performed to evaluate their binding stability and flexibility upon binding to RdRp. The MD results showed that the selected compounds formed stable complexes with RdRp, and their binding interactions were similar to those observed for the native ligand. The binding energies of the top two hits (-8.6 and −7.7 kcal/mole) were comparable to those of previously reported ZIKV RdRp inhibitors (-8.9 kcal/mole). The compound IMPHY009135 showed the strongest binding affinity with RdRp, forming multiple hydrogen bonds and hydrophobic interactions with key residues. However, compound IMPHY009276 showed the most stable and consistent RMSD, which was similar to the native ligand. Our findings suggest that IMPHY009135 and IMPHY009276 are potential lead compounds for developing novel antiviral agents against ZIKV. Communicated by Ramaswamy H. Sarma
Investigating the Impact of the Diaspora Policies and Programs of CARICOM Nations on the Caribbean Canadian Community
Creators: name: Hudson, Naomi
Publisher: name: The University of British Columbia
Year: 2024

description: This thesis aims to fill a knowledge gap in the diaspora studies scholarship by evaluating the impact of the diaspora strategies of the full member states of the Caribbean Community (CARICOM) on the Caribbean Canadian diaspora. It employs a mixed-methods approach that includes a survey of ten Caribbean diasporans from across Canada and eight semi-structured interviews with this same group of diasporans. Through these methods, the study provides insights into 1) diasporans levels of economic, political and cultural engagement with their home countries; 2) the ways in which Caribbean Canadians engage with their countries of origin; 3) the barriers to engagement faced by diasporans and 4) the ways in which the diaspora strategies of CARICOM governments could be improved. The findings from this study point to a strong desire from the diaspora to remain more engaged with the region, despite the barriers they face in doing so (such as a lack of awareness of existing diaspora strategies and political and economic stability of home countries). The thesis also makes recommendations on how Caribbean diaspora engagement strategies could be improved.
Molecular docking, DFT studies, and anti-inflammatory evaluation of peshawaraquinone isolated from Fernandoa adenophylla
Creators: name: AlOmar, Taghrid S.
name: Rauf, Abdur
name: Rashid, Umer
name: Sarfaraz, Sehrish
name: Ayub, Khurshid
name: Hussain, Fahad
name: Almasoud, Najla
name: AlOmar, Abdulaziz S.
name: Rehman, Gauhar
name: Ahmad, Zubair
name: Muhammad, Naveed
name: Shah, Zafar Ali
Publisher: name: Taylor & Francis
Year: 2024
Subjects: subject: Biophysics
subject: Biochemistry
subject: Space Science
subject: Pharmacology
subject: Biotechnology
subject: Environmental Sciences not elsewhere classified
subject: Chemical Sciences not elsewhere classified
subject: Ecology
subject: FOS: Biological sciences
subject: Immunology
subject: FOS: Clinical medicine
subject: Biological Sciences not elsewhere classified
subject: Information Systems not elsewhere classified
subject: Cancer

description: In recent years, there has been growing interest in exploring natural compounds with anti-inflammatory properties for potential therapeutic applications. This study focuses on investigating the anti-inflammatory potential of peshawaraquinone (PAQ), a compound isolated from Fernandoa adenophylla, which is known for its local use in pain relief. We aim to evaluate the efficacy of peshawaraquinone in both in vitro and in vivo models and gain insights into its mode of action. In the in vitro Human red blood cell (HRBC) assay, various concentrations of peshawaraquinone were tested for their ability to inhibit the hemolysis of red blood cells, a well-established indicator of anti-inflammatory activity. The results demonstrated a maximum percent inhibition of 79.69 at a concentration of 100 µM, indicating significant anti-inflammatory potential. Furthermore, the in vivo xylene-induced ear edema model was employed to assess the compound’s efficacy in reducing inflammation. Xylene was topically applied to the ear to induce edema, and peshawaraquinone was administered to evaluate its inhibitory effects. The findings revealed a substantial 74.19% reduction in ear edema, accompanied by decreased ear thickness and histopathological improvements, such as inhibited cell infiltration and epidermal hyperplasia. To gain further insights into the compound’s mechanism of action, density functional theory (DFT) calculations were performed to investigate its spectroscopic characteristics and geometric properties. Additionally, docking studies were conducted on key targets involved in inflammation, including COX-1 and COX-2. In conclusion, this study showcases the significant anti-inflammatory potential of peshawaraquinone, offering promising prospects for its use as a natural anti-inflammatory agent. The results from both in vitro and in vivo models, as well as the mechanistic insights gained from computational analyses, provide a solid basis for further exploration of peshawaraquinone’s therapeutic applications. Communicated by Ramaswamy H. Sarma
MAREA: A Delay-Aware Multi-time-Scale Radio Resource Orchestrator for 6G O-RAN
Creators: name: Adamuz-Hinojosa, Oscar
name: Zanzi, Lanfranco
name: Sciancalepore, Vincenzo
name: Costa-Pérez, Xavier
Publisher: name: arXiv
Year: 2025
Subjects: subject: Networking and Internet Architecture (cs.NI)
subject: FOS: Computer and information sciences

description: The Open Radio Access Network (O-RAN)-compliant solutions often lack crucial details for implementing effective control loops at various time scales. To overcome this, we introduce MAREA, an O-RAN-compliant mathematical framework designed for the allocation of radio resources to multiple ultra-Reliable Low Latency Communication (uRLLC) services. In the near-real-time (RT) control loop, MAREA employs a novel Martingales-based model to determine the guaranteed radio resources for each uRLLC service. Unlike traditional queueing theory approaches, this model ensures that the probability of packet transmission delays exceeding a predefined threshold -- the violation probability -- remains below a target tolerance.
 Additionally, MAREA uses a real-time control loop to monitor transmission queues and dynamically adjust guaranteed radio resources in response to traffic anomalies. To the best of our knowledge, MAREA is the first O-RAN-compliant solution that leverages Martingales for both near-RT and RT control loops. Simulations demonstrate that MAREA significantly outperforms reference solutions, achieving an average violation probability that is x10 lower.
description: This work has been accepted for publication in IEEE Transactions on Communications. arXiv admin note: text overlap with arXiv:2401.03812
Flares in the Changing Look AGN Mrk 590. II: Deep X-ray observations reveal a Comptonizing inner accretion flow
Creators: name: Lawther, Daniel
name: Vestergaard, Marianne
name: Raimundo, Sandra
name: Fan, Xiaohui
name: Koay, Jun Yi
Publisher: name: arXiv
Year: 2025
Subjects: subject: Astrophysics of Galaxies (astro-ph.GA)
subject: High Energy Astrophysical Phenomena (astro-ph.HE)
subject: FOS: Physical sciences

description: Mrk 590 is a Changing Look AGN currently in an unusual repeat X-ray and UV flaring state. Here, we report on deep X-ray observations with XMM-Newton, NuSTAR, and NICER, obtained at a range of X-ray flux levels. We detect a prominent soft excess below 2 keV; its flux is tightly correlated with that of both the X-ray and UV continuum, and it persists at the lowest flux levels captured. Our Bayesian model comparison strongly favors inverse Comptonization as the origin of this soft excess, instead of blurred reflection. We find only weak reflection features, with R~0.4 assuming Compton-thick reflection. Most of this reprocessing occurs at least $\sim$800 gravitational radii (roughly three light-days) from the continuum source. Relativistically broadened emission is weak or absent, suggesting the lack of a standard `thin disk' at small radii. We confirm that the predicted broad-band emission due to Comptonization is roughly consistent with the observed UV--optical photometry. This implies an optically thick, warm ($kT_e\sim0.3$ keV) scattering region that extends to at least $\sim10^3$ gravitational radii, reprocessing any UV thermal emission. The lack of a standard `thin disk' may also explain the puzzling $\sim3$-day X-ray to UV delay previously measured for Mrk 590. Overall, we find that the X-ray spectral changes in Mrk 590 are minimal, despite substantial luminosity changes. Other well-studied changing look AGN display more dramatic spectral evolution, e.g., disappearing continuum or soft excess. This suggests that a diversity of physical mechanisms in the inner accretion flow may produce a UV--optical changing-look event.
description: Accepted for publication in MNRAS. 47 pages, 41 figures
Charting Climate Discourses : The Power of Ideas and the Role of SIDS in Crafting the 1.5°C Norm in International Climate Negotiations
Creators: name: Rolland, Logane Jo
Publisher: name: The University of British Columbia
Year: 2024

description: The 2015 Paris Agreement marked a significant milestone in global climate negotiations, establishing a commitment to limit global warming to below 1.5°C above pre-industrial levels. This research focuses on Small Island Developing States’ (SIDS) advocacy for the 1.5°C target within the United Nations Framework Convention on Climate Change (UNFCCC) leading up to the agreement. Despite traditional international relations literature often overlooking small states’ power, emerging constructivist scholarship underscores SIDS’ critical impact in climate negotiations through normative power. Accordingly, this study investigates how SIDS strategically contributed to the construction and diffusion of the 1.5°C goal as a norm, reframing climate discourse within the UNFCCC. Drawing on norm diffusion literature and frame theory, I argue that they played a significant role in advocating for the 1.5°C goal as an international norm. This claim is supported by a qualitative examination of SIDS' contribution to the UNFCCC from 2007 until 2015, using content analysis on daily Conference of Parties newsletters, along with SIDS’ submissions to climate change conferences. I find that, by leveraging their moral leadership, climate vulnerabilities, and invoking scientific evidence, SIDS effectively influenced negotiations leading up to the 1.5°C target adoption in 2015. These findings are complemented by a discourse analysis of the framings used by SIDS in their coalitions’s statements. By shedding light on SIDS' contribution to constructing and disseminating the 1.5°C norm, this study demonstrates their transformative impact in shaping the current normative dialogue and foundation around the 1.5°C norm in climate governance.
DEVELOPMENT OF LEARNING AND COGNITIVE COMPETENCE OF STUDENTS AS A FACTOR OF INCREASING THEIR FURTHER SOCIAL COMPETITIVENESS
Creators: name: Prokofieva, Valentina
name: Smirnova, Latvia
Publisher: name: Zenodo
Year: 2024

description: The article raises the problem of increasing the level of reading literacy of pupils through increasing the level of formation of their skills in working with information. Russian comprehensive program aimed at the formation and development of educational and cognitive competence of schoolchildren can become a mechanism for solving this problem. The practical aspect of the article is a description of international experience in the formation of educational and cognitive competence of students through project assignments, successfully implemented in schools in Latvia.
Structural dynamics of the RNA dependent RNA polymerase of H1N1 strain affecting humans: a bioinformatics approach
Creators: name: Samantaray, Mahesh
name: Pushan, Shilpa Sri
name: Rajagopalan, Muthukumaran
name: Ramaswamy, Amutha
Publisher: name: Taylor & Francis
Year: 2023
Subjects: subject: Biophysics
subject: Biochemistry
subject: Medicine
subject: Molecular Biology
subject: Information Systems not elsewhere classified
subject: Developmental Biology
subject: Cancer
subject: Infectious Diseases
subject: FOS: Health sciences
subject: Virology
subject: Computational Biology

description: The Influenza flu is a pandemic disease that renders the highest risk factor to the society due to its efficient ability of airborne transmission. Studies on the H1N1 strain gained significant focus, since its pandemic outbreak in 2009 and particularly the computational studies on its structural elements significantly aided in revealing their functional uniqueness. Among the 10 structural proteins of H1N1, the RNA-dependent RNA polymerase (RdRp) heterotrimeric protein complex, which is responsible for the synthesis of viral RNA (vRNA) from the negative-sense RNA genome of the virus, is the focus of the present study. This study aimed to investigate the structural dynamics of the RdRp complex with particular emphasis on the reported 17 mutations. The mutant strain is more stabilized by strong concerted residue-residue interactions at both intra- and inter- monomeric levels. In comparison, the mutant strain is structurally flexible with enhanced stabilizing interactions. The structural dynamics of RdRp are significantly governed by the dynamics of the (i) endonuclease domain of PA, (ii) RNA-entry region of PB1 and (iii) cap-binding region of PB2. Explicitly, the cap binding region of PB2 expresses (i) a concerted motion with the RNA-entry region, along with (ii) an anti-correlated motion with the endonuclease domain of the PA subunit, which further supports the stable dynamics of cap-binding towards RNA binding. These findings contribute to the understanding of the structural dynamics associated with the pandemic and mutant structures of RdRp and render a basic knowledge for further development of novel inhibitors towards influenza flu affected humans. Communicated by Ramaswamy H. Sarma
Transforming Perceptions : The Role of Perspective-Taking in the Canadian Policy Context
Creators: name: Kara, Eylul
Publisher: name: The University of British Columbia
Year: 2024

description: This study investigates the role of empathy and perspective-taking in shaping policy support toward oil and gas pipelines in Canada, with an applicable focus on the Trans Mountain Pipeline (TMX) project. Conducted through an online survey experiment with 442 participants, the study examines the influence of a perspective-taking exercise on policy support and political behaviour. By prompting participants to imagine themselves in the situation of those directly impacted by Canadian pipeline policies, this research aims to assess the potential of empathy, induced through perspective-taking, to foster a more inclusive approach to policy evaluation. The results indicate that perspective-taking significantly decreased the likelihood of support for pipeline policies. However, it did not have a significant effect on participants' willingness to engage in actions like signing a petition against the TMX expansion to the Canadian government. The study further revealed that participants who underwent the perspective-taking exercise reported higher levels of emotional intensity (concern, sympathy, anger, activism), which in turn, significantly correlated with a decrease in policy support. In this context, emotional response is understood as an important mechanism between perspective-taking and changes in policy support, suggesting a need for further research on their impact on policy attitudes and behaviors.
GENEOnet: Statistical analysis supporting explainability and trustworthiness
Creators: name: Bocchi, Giovanni
name: Frosini, Patrizio
name: Micheletti, Alessandra
name: Pedretti, Alessandro
name: Gratteri, Carmen
name: Lunghini, Filippo
name: Beccari, Andrea Rosario
name: Talarico, Carmine
Publisher: name: arXiv
Year: 2025
Subjects: subject: Machine Learning (cs.LG)
subject: Artificial Intelligence (cs.AI)
subject: Biomolecules (q-bio.BM)
subject: Applications (stat.AP)
subject: FOS: Computer and information sciences
subject: FOS: Biological sciences

description: Group Equivariant Non-Expansive Operators (GENEOs) have emerged as mathematical tools for constructing networks for Machine Learning and Artificial Intelligence. Recent findings suggest that such models can be inserted within the domain of eXplainable Artificial Intelligence (XAI) due to their inherent interpretability. In this study, we aim to verify this claim with respect to GENEOnet, a GENEO network developed for an application in computational biochemistry by employing various statistical analyses and experiments. Such experiments first allow us to perform a sensitivity analysis on GENEOnet's parameters to test their significance. Subsequently, we show that GENEOnet exhibits a significantly higher proportion of equivariance compared to other methods. Lastly, we demonstrate that GENEOnet is on average robust to perturbations arising from molecular dynamics. These results collectively serve as proof of the explainability, trustworthiness, and robustness of GENEOnet and confirm the beneficial use of GENEOs in the context of Trustworthy Artificial Intelligence.
Molecular docking, DFT studies, and anti-inflammatory evaluation of peshawaraquinone isolated from Fernandoa adenophylla
Creators: name: AlOmar, Taghrid S.
name: Rauf, Abdur
name: Rashid, Umer
name: Sarfaraz, Sehrish
name: Ayub, Khurshid
name: Hussain, Fahad
name: Almasoud, Najla
name: AlOmar, Abdulaziz S.
name: Rehman, Gauhar
name: Ahmad, Zubair
name: Muhammad, Naveed
name: Shah, Zafar Ali
Publisher: name: Taylor & Francis
Year: 2023
Subjects: subject: Biophysics
subject: Biochemistry
subject: Space Science
subject: Pharmacology
subject: Biotechnology
subject: Environmental Sciences not elsewhere classified
subject: Chemical Sciences not elsewhere classified
subject: Ecology
subject: FOS: Biological sciences
subject: Immunology
subject: FOS: Clinical medicine
subject: Biological Sciences not elsewhere classified
subject: Information Systems not elsewhere classified
subject: Cancer

description: In recent years, there has been growing interest in exploring natural compounds with anti-inflammatory properties for potential therapeutic applications. This study focuses on investigating the anti-inflammatory potential of peshawaraquinone (PAQ), a compound isolated from Fernandoa adenophylla, which is known for its local use in pain relief. We aim to evaluate the efficacy of peshawaraquinone in both in vitro and in vivo models and gain insights into its mode of action. In the in vitro Human red blood cell (HRBC) assay, various concentrations of peshawaraquinone were tested for their ability to inhibit the hemolysis of red blood cells, a well-established indicator of anti-inflammatory activity. The results demonstrated a maximum percent inhibition of 79.69 at a concentration of 100 µM, indicating significant anti-inflammatory potential. Furthermore, the in vivo xylene-induced ear edema model was employed to assess the compound’s efficacy in reducing inflammation. Xylene was topically applied to the ear to induce edema, and peshawaraquinone was administered to evaluate its inhibitory effects. The findings revealed a substantial 74.19% reduction in ear edema, accompanied by decreased ear thickness and histopathological improvements, such as inhibited cell infiltration and epidermal hyperplasia. To gain further insights into the compound’s mechanism of action, density functional theory (DFT) calculations were performed to investigate its spectroscopic characteristics and geometric properties. Additionally, docking studies were conducted on key targets involved in inflammation, including COX-1 and COX-2. In conclusion, this study showcases the significant anti-inflammatory potential of peshawaraquinone, offering promising prospects for its use as a natural anti-inflammatory agent. The results from both in vitro and in vivo models, as well as the mechanistic insights gained from computational analyses, provide a solid basis for further exploration of peshawaraquinone’s therapeutic applications. Communicated by Ramaswamy H. Sarma
АНАЛИЗ ОСОБЕННОСТЕЙ РАЗВИТИЯ МЕТОДИКИ ПРЕПОДАВАНИЯ ИСТОРИИ НА ОСНОВЕ ЗАРУБЕЖНОГО ОПЫТА
Creators: name: Андижанский государственный педагогический институт,  социально-гуманитарный факультет и искусствоведческий  факультет, исторический факультет   Акмалжонов Акбаржон Акмалжон ўғли
Publisher: name: Zenodo
Year: 2024

description: В данной статье представлена подробная информация о реформах, проводимых в отношении вопросов анализа методики преподавания истории в соответствии с развитием человечества на основе отечественных и зарубежных источников.

         Ключевые слова: Историческая память, Англия, образование, исследование, мысль, вывод, человечество, культура, искусство, знание, масштаб, межэтнические отношения, межрелигиозные отношения
Potent multi-target natural inhibitors against SARS-CoV-2 from medicinal plants of the Himalaya: a discovery from hybrid machine learning, chemoinformatics, and simulation assisted screening
Creators: name: Maiti, Priyanka
name: Nand, Mahesha
name: Mathpal, Shalini
name: Wahab, Shadma
name: Kuniyal, Jagdish Chandra
name: Sharma, Priyanka
name: Joshi, Tushar
name: Ramakrishnan, Muthannan Andavar
name: Chandra, Subhash
Publisher: name: Taylor & Francis
Year: 2023
Subjects: subject: Biophysics
subject: Biochemistry
subject: Molecular Biology
subject: Pharmacology
subject: Biotechnology
subject: Chemical Sciences not elsewhere classified
subject: Ecology
subject: FOS: Biological sciences
subject: Biological Sciences not elsewhere classified
subject: Information Systems not elsewhere classified
subject: Infectious Diseases
subject: FOS: Health sciences

description: The emergence and immune evasion ability of SARS-CoV-2 Omicron strains, mainly BA.5.2 and BF.7 and other variants of concern have raised global apprehensions. With this context, the discovery of multitarget inhibitors may be proven more comprehensive paradigm than its one-drug-to-one target counterpart. In the current study, a library of 271 phytochemicals from 25 medicinal plants from the Indian Himalayan Region has been virtually screened against SARS-CoV-2 by targeting nine virus proteins, viz., papain-like protease, main protease, nsp12, helicase, nsp14, nsp15, nsp16, envelope, and nucleocapsid for screening of a multi-target inhibitor against the viral replication. Initially, 94 phytochemicals were screened by a hybrid machine learning model constructed by combining 6 confirmatory bioassays against SARS-CoV-2 replication using an instance-based learner lazy k-nearest neighbour classifier. Further, 25 screened compounds with excellent drug-like properties were subjected to molecular docking. The phytochemical Cepharadione A from the plant Piper longum showed binding potential against four proteins with the highest binding energy of −10.90 kcal/mol. The compound has acceptable absorption, distribution, metabolism, excretion, and toxicity properties and exhibits stable binding behaviour in terms of root mean square deviation (0.068 ± 0.05 nm), root-mean-square fluctuation, hydrogen bonds, solvent accessible surface area (83.88–161.89 nm2), and molecular mechanics Poisson-Boltzmann surface area during molecular dynamics simulation of 200 ns with selected target proteins. Concerning the utility of natural compounds in the therapeutics formulation, Cepharadione A could be further investigated as a remarkable lead candidate for the development of therapeutic drugs against SARS-CoV-2. Communicated by Ramaswamy H. Sarma