bluuebunny/crossref_metadata_2025_split huggingface dataset:
Identification of Natural Terpenoid Compounds as Potential Inhibitors of Nucleoprotein of Influenza A Virus using in silico Approach: ADMET,
Molecular Docking, and Molecular Dynamic Simulation
Authors: Hossain Md. Saddam , Ali Md Mosahaq , Raj Prithbay , Khondokar Md. Parvez , Haque S. M. Jahurul , Bin Jardan Yousef A. , Ibenmoussa Samir , Bourhia Mohammed 
Published: January 2025

Background:
We continue to struggle with the prevention and treatment of the influenza
virus. The 2009 swine flu pandemic, caused by the H1N1 strain of influenza A, resulted in numerous
fatalities. The threat of influenza remains a significant concern for global health, and the development
of novel drugs targeting these viruses is highly desirable.

Objective:
The objective of this study is to explore the inhibitory potential of terpenoid compounds
against the Nucleoprotein (NP) of influenza A virus, which is a highly effective drug target due to
its ability to facilitate the transcription and replication of viral RNA.

Method:
In silico research was performed to identify potential inhibitors of NP. Molecular docking
studies were conducted to assess the binding of terpenoid compounds to the active site residues of
the target protein. The most promising hits were then subjected to molecular dynamics simulations
to examine the stability of the protein-ligand complexes. Additionally, ADMET (Absorption, Distribution,
Metabolism, Excretion, and Toxicity) studies and Lipinski's rule of five were employed to
evaluate the drug safety and druglikeness of the compounds.

Result:
Docking studies revealed that the terpenoid compounds bind strongly to the active site residues
of the NP protein. Molecular dynamics simulations demonstrated the stability of the proteinligand
complexes for the best-hit compounds. ADMET studies and Lipinski's filter indicated that
the compounds exhibit desirable drug safety and drug-likeness profiles.

Conclusion:
This work may contribute significantly to drug discovery and the development of
therapeutic agents against the influenza A virus. The identification of terpenoid compounds that
bind strongly to the NP protein and exhibit favorable drug-like properties through in silico studies
provides a promising foundation for further research and the development of potential inhibitors
targeting this critical viral protein.

conclusion:
This work may contribute significantly to drug discovery and the development of therapeutic agents against influenza A virus. The identification of terpenoid compounds that bind strongly to the NP protein and exhibit favorable drug-like properties through in silico studies provides a promising foundation for further research and development of potential inhibitors targeting this critical viral protein.
A Rare Case of Fatal Toxic Epidermal Necrolysis (TEN) and Drug Reaction with Eosinophilia and Systemic Symptoms (DRESS) Syndrome in a Patient with Rheumatoid Arthritis
Authors: Munshi Renuka , Sachdeo Praneet , Solanki Vikas 
Published: January 2025

Introduction:
This case study presents a rare and fatal instance of Toxic Epidermal
Necrolysis (TEN) and Drug Reaction with Eosinophilia and Systemic Symptoms (DRESS) syndrome
in a 51-year-old male patient diagnosed with Rheumatoid Arthritis (RA).

Case Presentation:
The patient was initially treated with sulfasalazine, leflunomide, and hydroxychloroquine,
following which he developed a rash, fever, and loose stools. Drug allergy
was suspected, and the antirheumatic medications were withdrawn, following which, the patient
improved. A subsequent attempt was made to treat the RA with methotrexate, prednisolone, and
hydroxychloroquine, following which the rash returned along with an increase in severity, including
detachment of the epidermis and mucosa, and systemic involvement, both hepatic and
renal. The patient ultimately succumbed to multiple organ dysfunction syndrome and neutropenic
sepsis.

Conclusion:
This case highlights the possibility of DRESS syndrome and Stevens-Johnson Syndrome
(SJS)/TEN following treatment with anti-rheumatic medications. Evidence of this is rare,
with the exception of sulfasalazine. This case also considers that the signs of a moderately severe
adverse drug reaction could be the early warning signs of DRESS syndrome, which can be difficult
to manage and may turn to be fatal. Additionally, this case highlights the need for maintenance
of quality health records in low- and middle-income countries due to the failure to identify
hydroxychloroquine as a suspected drug inducing the initial adverse reaction that resulted in it
being prescribed again, leading to a fatal outcome.
Classification, Synthesis, Isomerism, and Spectral Characterization of Schiff Bases
Authors: Moanta Anca 
Published: January 2025

Abstract:
Schiff bases have been known for 160 years and there is a multitude of information
about them. This review focuses on their classification. The examples were classified based on the
number of azomethine groups (mono-, bis-, tris-, tetrakis-, oligo-, and polymer Schiff bases) and
the nature of their chain (cyclic and acyclic Schiff bases). Many imines are synthesized by condensing
carbonyl compounds with amines and the mechanism of this reaction has been described.
The main types of isomerism found at Schiff bases are geometric isomerism, atropizomerism, and
imine-enamine tautomerism. After obtaining them they can be spectrally characterized using FTIR,
UV-Vis, 1H NMR, 13C NNR, and mass spectrum and they were presented.
Usefulness of High-resolution Computed Tomography for Macrolide Therapy of Idiopathic Bronchiectasis
Authors: Saito Zenya , Yoshida Masahiro , Uchiyama Shota , Nishioka Saiko , Tamura Kentaro , Tamura Nobumasa 
Published: January 2025

Background:
High-resolution computed tomography (HRCT) correlates with clinical symptoms, respiratory function, and quality of life in bronchiectasis.

Objective:
We aimed to investigate the relationship between macrolide and acute exacerbation (AE) in idiopathic bronchiectasis classified by the Bronchiectasis Radiologically Indexed CT Score (BRICS).

Methods:
We retrospectively reviewed the medical records of patients diagnosed with idiopathic bronchiectasis between April 2014 and December 2020 at a single hospital. Overall, 115 patients with idiopathic bronchiectasis were selected and divided into three groups, according to the BRICS. Each group was divided into subgroups with and without macrolide therapy, and the number of patients with AE in each group was retrospectively compared.

Results:
About 45, 48, and 22 patients were included in the mild, moderate, and severe groups, respectively. In the mild group, the subgroup with macrolide therapy had significantly fewer patients with single AE than those without macrolide (
P = 0.029). There was no significant difference in the moderate and severe groups (
P = 1.00 and 0.64, respectively). In the multiple AE, the subgroup with macrolide therapy had significantly fewer patients than those without macrolide therapy in the mild, moderate, and severe groups (
P = 0.024, 0.029, and 0.026, respectively).

Conclusion:
HRCT severity assessment might be useful in predicting treatment efficacy in patients with idiopathic bronchiectasis without previous AEs. Further large-scale clinical trials are required on the usefulness of HRCT in the future.
A Supervised Explainable Machine Learning Model for Perioperative Neurocognitive Disorder in Liver-Transplantation Patients and External Validation on the Medical Information Mart for Intensive Care IV Database: Retrospective Study
Authors: Ding Zhendong , Zhang Linan , Zhang Yihan , Yang Jing , Luo Yuheng , Ge Mian , Yao Weifeng , Hei Ziqing , Chen Chaojin 
Published: January 2025

Background
Patients undergoing liver transplantation (LT) are at risk of perioperative neurocognitive dysfunction (PND), which significantly affects the patients’ prognosis.

Objective
This study used machine learning (ML) algorithms with an aim to extract critical predictors and develop an ML model to predict PND among LT recipients.

Methods
In this retrospective study, data from 958 patients who underwent LT between January 2015 and January 2020 were extracted from the Third Affiliated Hospital of Sun Yat-sen University. Six ML algorithms were used to predict post-LT PND, and model performance was evaluated using area under the receiver operating curve (AUC), accuracy, sensitivity, specificity, and F1-scores. The best-performing model was additionally validated using a temporal external dataset including 309 LT cases from February 2020 to August 2022, and an independent external dataset extracted from the Medical Information Mart for Intensive Care Ⅳ (MIMIC-Ⅳ) database including 325 patients.

Results
In the development cohort, 201 out of 751 (33.5%) patients were diagnosed with PND. The logistic regression model achieved the highest AUC (0.799) in the internal validation set, with comparable AUC in the temporal external (0.826) and MIMIC-Ⅳ validation sets (0.72). The top 3 features contributing to post-LT PND diagnosis were the preoperative overt hepatic encephalopathy, platelet level, and postoperative sequential organ failure assessment score, as revealed by the Shapley additive explanations method.

Conclusions
A real-time logistic regression model-based online predictor of post-LT PND was developed, providing a highly interoperable tool for use across medical institutions to support early risk stratification and decision making for the LT recipients.
PREVALENCE AND RISK FACTORS ASSOCIATED WITH HEPATITIS B VIRUS INFECTION AMONG ONCOLOGY PATIENTS
Authors: Almohya Gameel Ahmed Mohammed , El-Zine Monya Abdullah Yahya , Al-Shamahy Hassan Abdulwahab , Al-Madhaji Anowar Gasem , Assayaghi Rowa  Mohammed 
Published: January 2025

Background and aims: Hepatitis B virus (HBV) screening for patients with newly diagnosed solid cancer is not standard practice in oncology, and authorities disagree on whether complete screening should be carried out. Additionally, research on the risk factors for HBV infection in this patient population may differ from that in the general population. Therefore, estimating the prevalence of HBV and risk factors for HBV infection in individuals with recently diagnosed solid cancer was the study's goal.
Subjects and methods: Newly diagnosed cancer patients at the oncology center of Al-Jumhori Hospital in Sana'a, are included in this cross-sectional study. A regular questionnaire created specifically for this study was used to gather data, which included demographic information, risk factors, cancer type, and test findings. Using an ELISA assays for HB surface antigen and HB Core IgG anti-antibodies were conducted.
Results: The study analyzed 300 cancer patients with HBV testing, with a mean age of 42.9 years and a sex distribution of 37.6% men and 62.4% women. The crude HBV prevalence was 5%, with females having a higher prevalence. The study found no significant association between age, rural residency, married status, blood transfusion frequency, or blood sources with HBV risk. No association was found between under treatment chemotherapy and HBV infection.
Conclusions: This study examines the frequency of HBV infections in patients with solid tumors for the first time in Yemen. Our study found that the nationwide prevalence of HBV was higher in cancer patients than in the broad population.

Peer Review History:
Received 15 October 2024; Reviewed 7 November; Accepted 21 December; Available online 15 January 2025
Academic Editor: Dr. A.A. Mgbahurike, University of Port Harcourt, Nigeria, amaka_mgbahurike@yahoo.com
Average Peer review marks at initial stage: 6.0/10
Average Peer review marks at publication stage: 7.0/10
RELIABILITY OF MODERN RADIOGRAPHIC DENTAL AGE ESTIMATION METHODS AMONG YEMENI CHILDREN IN SANA'A CITY, YEMEN
Authors: Abdul-Majid Arij Lutf Abdulrhman , Aleryani Husam Abdullah Anas , Aldeen Yusra Ahmed Ali Sharf , Al-Shamahy Hassan Abdulwahab 
Published: January 2025

Background and aim: Without requiring any more radiographic research, dental age assessment using panoramic X-rays is particularly helpful to children dentists and orthodontists when arranging treatments. The purpose of this study was to evaluate the precision of three contemporary radiography techniques for estimating Yemeni children's dental ages.
Methods: The methods are Demirjian’s method, Cameriere’s open apex method and Al-Qahtani’s London Atlas, in Sana'a City, Yemeni sample. The 1200 radiographs of Yemeni Children (592 girls and 608 boys) aged under the age 18 years were analyzed by the three methods. The accuracy of each method was assessed using the mean difference and t-tests were used to assess the difference between chronological age and dental age within each age category.
Results: Demirjian's method significantly underestimated age for both sexes (p< 0.001), according to the results, with a mean difference of 0.67 years (a mean difference of 0.69 years for boys and 0.66 years for girls). With a mean difference of 0.93 years (a mean difference of 0.92 years for girls and 0.94 years for boys), the Cameriere's open apex method also significantly underestimated age for both sexes (p<0.001). In contrast, only the 6–6.99 and 7–7.99 age groups showed no significant differences between chronological age and dental age in either method or gender.
Conclusion: When it came to determining dental age, the London Atlas approach was the most accurate, followed by Demirjian's method, and the Cameriere's method was the least accurate. Furthermore, all three techniques were determined to be trustworthy and could be helpful in determining the age of Yemeni children whose chronological ages are unknown. For every age group, more research with a larger sample is needed.

Peer Review History:
Received 21 October 2024; Reviewed 13 November; Accepted 18 December; Available online 15 January 2025
Academic Editor: Dr. Ali Abdullah Al-yahawi, Al-Razi university, Department of Pharmacy, Yemen, alyahawipharm@yahoo.com
Average Peer review marks at initial stage: 5.5/10
Average Peer review marks at publication stage: 7.0/10
OLFACTORY INTERVENTIONS FOR SLEEP ENHANCEMENT: A REVIEW
Authors: Mostafa Essam Eissa  
Published: January 2025

Sleep is essential for cognitive function, emotional balance, and overall well-being. Disruptions like insomnia or poor sleep quality can have negative consequences. Various methods, including bedtime perfumes, have been studied to improve sleep. This review examines the scientific basis of scent-based sleep enhancement, focusing on the olfactory system and the effects of specific aromatic compounds on sleep. The olfactory system plays a crucial role in how scents influence sleep. Odor molecules bind to receptors in the nasal cavity, sending signals to the olfactory bulb, which processes these signals and relays them to the limbic system. This connection allows scents to evoke emotional responses and impact sleep. Historically, scent therapy has been used across cultures. The effectiveness of bedtime perfumes depends on their delivery methods. Diffusers, sprays and roll-on oils are common ways to disperse essential oils. Incorporating these perfumes into comprehensive sleep hygiene routine, including a consistent sleep schedule and a calming environment, maximizes their benefits. Future research should identify specific scent compounds that induce sleep, explore the interaction between olfactory stimuli and sleep stages and investigate the long-term safety and efficacy of bedtime perfumes. In conclusion, bedtime perfumes can improve sleep quality through the power of scent. Understanding olfactory pathways, calming scents and the historical context of scent therapy helps individuals make informed choices about using these fragrances.

Peer Review History:
Received 2 October 2024; Reviewed 11 November; Accepted 20 December; Available online 15 January 2025
Academic Editor: Dr. Gehan Fawzy Abdel Raoof Kandeel, Pharmacognosy Department, National Research Centre, Dokki, 12622, Giza, Egypt, gehankandeel9@yahoo.com
Average Peer review marks at initial stage: 6.5/10
Average Peer review marks at publication stage: 7.0/10
Integration of Bohuslav Martinů ‘s correspondence into secondary grammar school teaching
Authors:   University of West Bohemia in Pilsen, Kaločová Anna 
Published: January 2025

This article explores the integration of Bohuslav Martinů’s correspondence into secondary grammar school teaching as an interdisciplinary approach that combines history, music education, French language, and literature. By analyzing the composer’s letters, especially those written to his wife Charlotte after World War II, students gain insights into Martinů’s personal life, artistic career, and the socio-historical context that influenced his work. Through hands-on activities, such as dramatizing letters and composing fictional responses, students develop critical thinking, empathy, and a deeper understanding of historical sources. The interdisciplinary nature of this curriculum encourages students to synthesize knowledge across disciplines, connecting personal relationships, artistic expression, and historical events. The article also suggests how such an approach can enrich educational content and engage students in exploring the connections between culture, language, and history.
Predictors of Consumer Intention Towards Upcycling Practice and Consumption in Brazil
Authors: Silva Armistrong Martins da , Leocádio Áurio Lúcio 
Published: January 2025

Objective: The aim of this study is to investigate the predictors that influence consumer intention to adopt upcycling practices in Brazil.

Theoretical Framework: Upcycling emerges as an innovative consumption approach, standing out as a more sustainable alternative compared to traditional methods of goods production.

Method: The research adopted a quantitative methodology, using a survey to assess consumers' perceptions of upcycling. Multivariate data analysis and structural equation modeling were applied to identify correlations between the proposed constructs and gain insights into participants' perspectives.

Results and Discussion: The results indicate that the factors positively predicting consumer willingness to engage in upcycling are, in order of influence: behavioral intention, followed by the role of beliefs and perceived facilitating conditions, which include skills, knowledge, and inspiration.

Research Implications: The research makes a theoretical contribution by providing valuable insights, derived from primary data, into consumers' perceptions of their willingness to engage in upcycling. Practically, the study offers significant implications for management and public policies by promoting a more sustainable consumption approach, raising environmental awareness, and generating tangible social benefits.

Originality/Value: The study advances the development of the proposed theoretical model by including and analyzing the influence of predictive factors such as autonomy, empowerment, and entrepreneurial opportunities in the creation of new businesses. The results demonstrate that these factors play crucial roles and make significant contributions to the advancement of consumer behavior theory, deepening the understanding of this phenomenon in practice and promoting more sustainable consumption practices.
hemical Profile And Allelopathic Potential of Asparagus setaceus (KUNTH) Jessop (ASPARAGACEAE)
Authors: Castro José Walber Gonçalves , Costa Natália Cavalcante , Almeida-Bezerra José Weverton , Antunes Dhenes Ferreira , Souza Dieferson Leandro de , Felício Erica Ferreira , Oliveira Bruna Almeida de , Ulisses Valdília Ribeiro de Alencar , Santos Marcos Aurélio Figueirêdo dos , Maia Filho Ademar , Costa Adrielle Rodrigues , Rodrigues Fabiola Fernandes Galvão 
Published: January 2025

Objective: This work aimed to elucidate the chemical profile and the allelopathic potential of the ethanolic extract of Asparagus setaceus leaves collected in the morning (8 A.M) and afternoon (2 P.M).

Method: The extract was obtained using cold ethanol and the secondary metabolites classes were identified with specific reagents. For allelopathic activity, the test solution was obtained from 100 mg of ethanolic extract, dissolved in 100 mL of 66% ethanol, obtaining concentrations from 6.25% to 100%. Two control groups were used: distilled water and 66% ethanol alcohol in the evaluation of the following parameters: germination percentage (GP), germination speed index (GSI) and stem and radicle length.

Results and Discussion: The tabulated results were analyzed by two-way ANOVA, through analysis of variance and Tukey's test. The pH values of Asparagus setaceus ethanolic extract in the morning ranged from 9 to 12, for Asparagus setaceus ethanolic extract in the afternoon ranged from 8 to 12. In the phytochemical analysis, the morning extract showed a greater number of metabolites when compared to the same extract prepared in the afternoon, causing greater negative interference observed in the germination speed index and in the development of seedlings.

Research Implications: Therefore, the combined action of these compounds and factors such as humidity, temperature and soil pattern should be considered when evaluating the different results found, and further studies are needed to investigate the specific constituents of allelopathic activity.
A Systematic Review on Decision-Making Models for Evaluating Supply Risks
Authors: Nascimento Murilo Cezar , Lima Junior Francisco Rodrigues , Nzamba Yves 
Published: January 2025

Objective: The objective of the present study is to carry out a systematic review of the literature regarding quantitative models for assessing supply risks.

Theoretical Framework: Organizations and their supply chains are increasingly exposed to risks. Given the uncertainties of the business environment, the occurrence of adverse events may result in the interruption of supply in these chains, causing disruption and losses. The development of decision-making models to support risk assessment helps prevent supply discontinuity and can contribute to increasing the robustness of supply chains.

Method: Aiming to map quantitative models to support supply risk assessment, the systematic literature review was carried out based on the PRISMA method. Seven factors were considered to classify the selected studies, namely: year of publication, purpose of risk assessment, technique(s) used, criteria, types of input data, support for group decisions and application sector.

Results and Discussion: It was found that most of the techniques used are aimed at environments of uncertainty and group decision-making processes. There was also a predominance of applications in companies in the automotive industry and the focus on risk assessment for supplier selection. The most frequent decision technique was AHP.

Research Implications: In addition to mapping the state of the art on this topic, some opportunities for future studies were identified in order to assist managers and researchers interested in developing new decision-making models for assessing supply risks.

Originality/Value: Based on the bibliographical research carried out, it can be stated that this is the first study focused on mapping decision-making models for assessing supply risks. This study complements previous systematic reviews on risk management in supply chains and can be valuable for the development of tools aimed at mitigating supply risks.