bluuebunny/crossref_metadata_2025_split huggingface dataset:
Identification and in silico analysis of phytochemicals from Phyla nodiflora (l.): Potential bioactive compounds for targeted therapy
Authors: Balasubramanian Rajagopal , Seenivasan Prasanna , AU Thangavelu 
Published: September 2024

Abstract

The increasing demand for safer, more sustainable alternatives to chemical-based medicines has prompted significant interest in plant-derived bioactive compounds, which are known to possess a wide range of therapeutic properties. Among these, Phyla nodiflora (L.), a medicinal plant used in traditional medicine, has garnered attention due to its potential for treating various ailments. However, a comprehensive understanding of the bioactive compounds in P. nodiflora and their mechanisms of action is lacking. In this backdrop, the present study aims to explore the therapeutic potential of phytochemicals derived from hexane and methanolic leaf extract of P. nodiflora. Through GC-MS analysis, we identified 50 distinct chemicals, among these the predominant 10 bioactive compounds were selected for further investigation based on their known pharmacological activities and subjected to molecular docking against protein targets: Protein Tyrosine Phosphatase 1B, Androgen Receptor, Cyclin A, and NKCC1. The results highlight n-Hexadecanoic acid, stigmasterol, and beta-sitosterol as potent candidates for drug development with promising therapeutic potential for diabetes, alopecia, cancer, and anti-diuresis. These findings provide valuable insights into the medicinal value of P. nodiflora and open avenues for further research, including in vitro and in vivo studies, to validate the efficacy of these compounds. The results also underscore the importance of plant-based drug discovery efforts in developing novel treatments for non-communicable diseases, thus contributing to the growing body of research in ethnopharmacology and natural product chemistry.
Assessing biosocial vectors in water contamination, the incidence of water-borne illnesses, and insecurity in Kathmandu, Nepal
Authors: Elder Laura , Funfrock Julie , Castro Emily , Lamichhane-Khadka Reena 
Published: September 2024

ABSTRACT

In this study, we use water quality tests, epidemiological data, and ethnographic interviews gathered in Kathmandu in 2017 to provide an interdisciplinary analysis of water insecurity, illness, and targeted responses. Our findings fit the pattern of the past 20 years: the concentration of coliform bacteria across water sources remains unsafe. Our epidemiological data documents high rates of water-borne infectious diseases consistent with fecal contamination of water sources. Our ethnographic interviews suggest that social marginalization, poverty, and dislocation are major drivers in the incidence of illness. Evaluating some of the collective responses to water insecurity and contamination, we argue that effectively addressing water pollution, scarcity, and health outcomes in Kathmandu requires redirecting the focus of programs and the primary methods of implementation. Instead of large-scale top-down infrastructural interventions such as the Melamchi Water Supply Project, programs should target women's leadership in and subsidize funding for small-scale, community-managed interventions.
Porous-suspended graphite carbon doped TiO2 improves the band structure of photocatalysts to enhance photocatalytic degradation of tetracycline in water
Authors: Wang Zhaoran , Chen Hanyu , Zhao Kuaile , Zhang Baozhong , Zhang Kunfeng , Zhang Huikang , Hong Wanbin 
Published: September 2024

ABSTRACT

In order to improve visible light utilization efficiency and enrich low-concentration antibiotics in water systems, a new type of floating TiO2 graphite carbon (FTDGC) photocatalyst was prepared by the one-pot method. These floating materials have good adsorption properties and sufficient mechanical strength, which makes them easy to recycle and reuse in processing. Its photocatalytic performance was evaluated by photocatalytic degradation of tetracycline (TC) in water. The results showed that FTDGC had a high adsorption degradation capacity for TC and the photocatalytic degradation process was accorded with a first-order kinetic equation. The Fourier transform infrared spectroscopy and X-ray photoelectron spectroscopy indicated the generation of Ti–C–Ti valence bonds and Ti–C–O bonds on the TiO2 surface with the modification of graphite carbon materials. Optimization of preparation conditions revealed that as the amount of activator phosphoric acid increased and the porosity of the solid surface increased, the external exposure of TiO2 made the effect of the composite catalyst more pronounced. The recycling experiment showed that FTDGC still had good degradation ability for TC after five times reuse. The catalysts developed in this research can provide a new idea and reference for the pretreatment of refractory organic wastewater, as well as for the reuse of medium water.
Immunogenicity and Neutralization Potential of Recombinant Chimeric Protein Comprising the Catalytic Region of Gp63 of Leishmania and LTB against Leishmania donovani
Authors: Krishnan Anuja , Malik Gunjan , Garg Lalit C. 
Published: September 2024

Aim:
To study the inhibition potential of antibody against a recombinant chimera comprising
of the catalytic epitope of gp63 of Leishmania donovani and B subunit of heat-labile enterotoxin
(LTB) in the functional activity of L. donovani.

Background:
Visceral leishmaniasis, caused by the protozoan parasite Leishmania donavani, is a
major health problem and causes mortality in tropical regions. Protozoan proteases play a crucial
role in the pathogenesis of the disease and in establishing infection by countering the host's innate
immune responses, namely complement-mediated lysis and phagocytosis. A surface-bound metalloprotease
(gp63) has been reported to be a major virulence factor resulting in the evasion of complement-
mediated lysis, cleaving host extracellular and intracellular substrates, resulting in intra-
phagolysosomal survival.

Methods:
The epitope corresponding to the catalytic motif of gp63 of Leishmania donovani was
fused with the B subunit of heat-labile enterotoxin, which is known to be immunogenic. The
chimera was cloned to a prokaryotic expression vector and purified using Ni NTA affinity chromatography.
Antibodies were generated against the purified fusion protein and analyzed for its ability
to bind to the gp63 catalytic motif peptide by ELISA. The effect of fusion protein antibody on
the functional activity of gp63 was evaluated by assessing the effect of purified IgGs on the protease
activity and complement-mediated lysis of L. donovani promastigotes in vitro.

Results:
The present study reports that a recombinant chimera of the catalytic epitope of gp63 and
B subunit of heat-labile enterotoxin (LTB) of E. coli, a potent adjuvant of humoral response can
mount significant immune response towards the catalytic epitope. ELISA and Western blot analysis
showed that the anti-fusion protein antiserum could recognize the native gp63. Also, it significantly
inhibited the protease activity of promastigotes and subsequently increased complement-mediated
lysis of the promastigotes in vitro.

Conclusion:
It could be concluded that the hybrid protein containing catalytic motif L. donovani
gp63 protein and carrier protein (LTB) could elicit antibodies that could neutralise the functional
activity of gp63 and thus could be a potential candidate for subunit leishmaniasis vaccine.
Utility of the Neutrophil to Lymphocyte Ratio for Predicting Mortality in
Pleural Empyema - A Retrospective Study
Authors: Dimitrov Evgeni , Valchev Daniel , Minkov Georgi , Enchev Emil , Yovtchev Yovcho 
Published: September 2024

Purpose:
The prognostic qualities of the hematological biomarker neutrophil to lymphocyte ratio (NLR) have not yet been evaluated in pleural empyema. Therefore, we aimed to
find if NLR can predict adverse outcome in such clinical setting.

Methods:
Retrospectively we studied 84 patients with pleural empyema who were operated in
emergency setting in a clinic of thoracic surgery of an academic hospital over a 34-month period
(01.2021- 10.2023). To assess the prognostic performance of NLR we used the area under the receiver operating characteristics (AUROC) curves.

Results:
Of a total of 84 patients, nine (10.7%) died. Using ROC Curve analysis we found that
NLR has an excellent prognostic ability and outperformed systemic immune inflammation index
(SII), platelet to lymphocyte ratio (PLR), quick- sequential organ failure (qSOFA) score and systemic inflammation response syndrome (SIRS) (AUROC = 0.904 vs 0.782 vs 0.749 vs 0.747 vs
0.676, respectively) in outcome prediction. An optimal threshold NLR > 9.88 x 109
/L for prognostication of death was identified with a sensitivity of 85.7% and a specificity of 83.6%.

Conclusion:
In pleural empyema the neutrophil to lymphocyte ratio demonstrates excellent ability to predict the unfavorable outcome.
A Review on Stroke’s Pathophysiology, Associated Risk Factors, and Management
Authors: Zade Manuja S. , Singh Sonia , Sutar Nikhil , Kaple Pallavi , Marathe Piyush D. , Shinde Pradnya S. 
Published: September 2024

Background:
Stroke is a medical disorder defined by focal neurological deficits caused
by vascular impairment (hemorrhage or infarction) in the CNS (Central Nervous System). Currently
the second biggest cause of morbidity worldwide, strokes continue to be a deadly disease.

Objective:
This review aimed to elucidate the stroke’s pathophysiology, both changeable and
unchangeable risk factors associated with stroke, including prevention of stroke, its diagnosis, as
well as treatment.

Methods:
The articles were collected involving the research on stroke with the help of different
sources, like PubMed, Science Direct, and Google. Many manuscripts were collected and analyzed,
and the relevant ones were considered for the present manuscript.

Results:
A brain CT scan has been found to be the first step in the management of Cerebrovascular
Accident (CVA) in order to distinguish between ischemic and hemorrhagic stroke types. Beyond
stroke classification, imaging has been observed to serve as a powerful tool for ruling out alternative
diagnoses, predicting stroke outcomes, and facilitating appropriate treatment planning.

Conclusion:
Stroke is the second foremost cause of death as well as disability worldwide, leading
to substantial economic losses. Therefore, better treatment and improved management after stroke
are a global health priority. Modifying risk factors can decrease the chances of occurrence of
stroke. Also, correct diagnosis should be done to diagnose the presence of stroke and its type.
Proper treatment should be provided, like perfusion, glucose management, antiplatelet therapy, antihypertensive
therapy, stem cell therapy, neural response and rehabilitation, increased awareness,
lifestyle changes, stress management, etc. Exercise can also help positively to reduce the chances
of stroke.
Medicinal Plants in the Treatment of Tuberculosis: A Systematic Review
Authors: Agrawal Radha , Murti Yogesh , Mangla Mohit , Sandhuja Mohit , Sharma Anuj Kumar , Kumari Vibha , Kulshreshtha Mayank 
Published: September 2024

Introduction:
Tuberculosis is the most common disease that affects the lungs, and it
is associated with Mycobacterium tuberculosis infection. Many synthetic medications, such as
pyrazinamide, isoniazid, and ethambutol, are available to treat TB; however, their adverse effects
are severe. Medicinal herbs have lately become popular, safe, and effective alternative
treatments for TB.

Method:
The purpose of this review was to assess the possible use of natural plants in the development
of herbal treatments and remedies for TB by studying the medicinal plants and phytochemicals
that have been used for the disease. Information was gathered from a variety of
sources, including Bentham, Elsevier, Springer, Nature, Google Scholar, PubMed, Sci-Finder,
and the Web of Science. For the investigation, common and scientific names of plants, as well
as terms like "mycobacterium tuberculosis," "herbal plants," "flavonoids," and "alkaloids" were
employed. In the end, 376 plants belonging to 83 families were discovered, and details about
each plant family, as well as the section of the plant utilized, chemical components, extract, and
strain, were extracted.

Result:
The findings showed that although flavonoids and alkaloids were the most prevalent
naturally occurring substances found in plants, the Fabiaceae family had a greater potential to
eradicate TB.

Conclusion:
The leaf portion was shown to be more active, and the S-37 RV strain of Mycobacterium
TB was employed more frequently.The leaf portion was shown to be more active, and the S-37 RV strain of Mycobacterium
TB was employed more frequently.
Apremilast Amorphous Solid Dispersions: Formulation Optimization using QbD and Comprehensive In vitro-In silico Assessment
Authors: Fanda Anuj K. , Jadhav Ajinkya , Naruka Pushpendra S , Rana Dhwani , Benival Derajram 
Published: September 2024

Aim:
The study aims to develop a 3rd generation amorphous solid dispersion (ASD) of Apremilast (APST) employing the Design of Experiment (DoE) methodology, followed by a thorough assessment including in silico pharmacokinetics.

Background:
APST, classified as a BCS-Class IV molecule due to its low solubility and permea-bility, exhibits highly variable oral bioavailability across different species.

Objective:
In this study, a 3rd generation ASD of APST was developed using the DoE approach.

Methods:
The miscibility of APST within polymers was assessed using solubility parameters and Flory Huggin equations. Phase solubility studies were conducted to identify the most suitable polymer-surfactant combination for maximizing drug solubility. The produced solid dispersions were characterized using FTIR, DSC, XRD, DVS, and SEM.

Results:
The combination of APST and Soluplus® in a 1:5 ratio resulted in the highest improve-ment in solubility and dissolution, with vitamin E TGPS being identified as the most efficient sur-factant. Stability studies were carried out, and findings revealed that the ASD remained stable un-der accelerated conditions for up to 3 months, suggesting its suitability for scaling up for industri-al applications. In silico predictions of the pharmacokinetics of APST following oral administra-tion of solid dispersion formulations were determined by PBBM using GastroPlus™.

Conclusion:
The simulation of oral absorption profiles for APST showed a significant improve-ment in both Cmax and AUC for the solid dispersion formulations compared to plain drugs. This study makes a significant contribution to the field of pharmaceutical science by addressing the formulation complexities inherent in poorly water-soluble compounds like APST.
Steering through Regulatory Currents: The Journey of India’s Pharma Industry with the USFDA
Authors: Kamal Raj , Diksha  , Paul Priyanka , Awasthi Ankit 
Published: September 2024

Introduction and Objective:
India's pharmaceutical industry faces challenges in meeting USFDA quality standards, impacting exports and reputation. This review examines the causes of non-compliance and proposes strategies to enhance compliance, predicting fu-ture trends.

Methods:
This study conducts an analysis of USFDA warning letters to Indian manufacturers, an assessment of non-compliance issues, and an exploration of technological advancements in compliance, such as automation and AI.

Results:
The study reveals a rise in non-compliance incidents, emphasizing the need for a ro-bust quality culture, updated regulatory knowledge, and implementation of advanced technol-ogies to improve compliance.

Conclusion:
To maintain global competitiveness, India's pharma industry must adopt compre-hensive strategies, leverage technology, and prepare proactively for regulatory changes. Future compliance will rely on remote auditing and real-time monitoring.
Interest in the Use of Herbal Supplements to Close the Treatment Gap for Hazardous Alcohol Use Among Men Who Have Sex With Men: Secondary Analysis of a Cross-Sectional Study
Authors: Hernandez Christopher , Rowe Christopher , Ikeda Janet , Arenander Justine , Santos Glenn-Milo 
Published: September 2024

Background
Hazardous alcohol consumption is highly prevalent for men who have sex with men (MSM). The 4 treatments currently approved by the Food and Drug Administration for alcohol use are reaching an alarmingly low percentage of people who would benefit from a reduction in their alcohol use. There is increasing interest in alternative methods of treatment, such as herbal supplements, to address hazardous drinking. However, research on the acceptability of alternative pharmacotherapies among MSM remains limited.

Objective
We examined the prevalence and correlates of expressing interest in using herbal supplements for alcohol treatment among MSM with hazardous alcohol consumption.

Methods
We conducted a secondary data analysis from a cross-sectional study of MSM who use alcohol, conducted from March 2015 to July 2017 in San Francisco, California, to assess the overall prevalence of interest in using herbal supplements to help reduce alcohol consumption. Associations between expressing interest in herbal supplements and demographic, social, and clinical characteristics were examined using bivariate and multivariable logistic regression models.

Results
One-third (66/200, 33%) of the participants expressed interest in an herbal supplement for reducing alcohol consumption. In the multivariable analyses, weekly binge drinking (adjusted odds ratio [aOR] 2.85, 95% CI 1.17-6.93), interest in abstaining from alcohol use (aOR 5.04, 95% CI 1.46-17.40), higher severity of alcohol dependence score (aOR 1.22, 95% CI 1.04-1.41), and interest in naltrexone (aOR 3.22, 95% CI 2.12-4.91) were independently associated with higher odds of being interested in using an herbal supplement to reduce alcohol consumption, adjusting for age, race or ethnicity, and education.

Conclusions
We found that MSM who have hazardous drinking habits, more severe alcohol dependence, and interest in pharmacotherapy were more likely to express interest in using an herbal supplement for reducing alcohol consumption. To our knowledge, this is the first study that has evaluated correlates of interest in herbal supplements for alcohol use among MSM. As researchers implement novel alcohol treatment studies, they should focus on recruitment efforts among MSM with a motivation to reduce their alcohol use patterns.
Effectiveness of using rituximab in membranous nephropathy: a clinical case
Authors: Zavalna I.M. , Lagodych Ye.K. 
Published: September 2024

Membranous nephropathy is a glomerulopathy in which the primary target is the podocyte and damage to the glomerular basement membrane. The disease occurs more often in adults, mostly in people over 50 years old. The clinical manifestation is nephrotic syndrome, but in most cases, asymptomatic proteinuria may develop. In the mechanism of kidney damage, the deposition of immune complexes in the subepithelial space of the capillary loop of the glomerulus with subsequent activation of the complement system is important. Over the past twenty years, great progress has been made in the identification of potential target antigens, the main of which is the M-type phospholipase A2 receptor (PLA2R) protein with circulating anti-PLA2R antibody, which allows for assessment of the activity and prognosis of membranous nephropathy. This path of damage corresponds to approximately 70–80 % of cases of membranous nephropathy, which is characterized as primary.
Penerapan Algoritma Machine Learning Untuk Penjurusan Siswa Baru Sekolah Menengah Kejurusan Berdasarkan Nilai Raport dan Psikotest
Authors: Maulana Gian , Afiyati Afiyati 
Published: September 2024

Penelitian ini bertujuan untuk mengevaluasi keefektivan sistem penjurusan siswa di Sekolah Menengah Kejuruan (SMK) dengan menggunakan empat algoritma machine learning, yaitu K-Nearest Neighbor, Naive Bayes, Support Vector Machine, dan Random Forest. Hasil penelitian menunjukkan bahwa algoritma Random Forest memiliki akurasi terbesar dibandingkan algoritma lainnya. Saat ini, proses penjurusan siswa di SMK tempat penelitian ini dilakukan, masih diprosessecara manual melalui perhitungan nilai raport, nilai tes mandiri, dan nilai psikotes. Proses penjuruan secara manual tersebut memakan waktu yang cukup lama. Implementasi algoritma Random Forest dapat menjadi solusi untuk mempercepat proses penjurusan siswa di SMK tersebut. Algoritma Random Forest memiliki akurasi terbaik di antara algoritma lain, yaitu 37% hampir mencapai 38%.
Pengembangan Buku Ajar Tokoh-Tokoh Perempuan Minangkabau untuk Menunjang Implementasi Kurikulum Mardeka di SMAN 1 Lengayang
Authors: Ahmana Jeni , Aisiah Aisiah 
Published: September 2024

Penelitian ini dilatarbelakangi oleh sulitnya guru-guru sejarah memperoleh materi ajar sejarah lokal khususnya tentang tokoh perempuan Minangkabau dalam bentuk buku ajar. Konten materi pelajaran sejarah dalam buku pelajaran hanya berfokus kepada muatan sejarah dan pemaknaanya terbatas kepada arti penting sejarah nasional, akibatnya peserta didik menjadi asing terhadap sejarah lokal daerahnya sendiri. Dengan demikian guru-guru sejarah sangat membutuhkan buku ajar dengan muatan sejarah lokal sebagai sumber belajar bagi peserta didik untuk menunjang implementasi kurikulum merdeka yang memberi ruang pada pengajaran sejarah lokal. Tujuan penelitian yakni mendeskripsikan langkah-langkah pengembangan buku ajar materi tokoh-tokoh perempuan Minangkabau, serta menyajikan hasil uji kelayakan dan kepraktisan buku ajar tokoh-tokoh perempuan Minangkabau Model penelitian menggunakan model ADDIE (Analysis, Design, Development, Implementation, Evaluation). Subjek uji coba buku ajar melibatkan pakar materi sejarah (dosen departemen sejarah FIS UNP), pakar buku ajar, guru sejarah sebagai praktisi pembelajaran sejarah dan peserta didik di SMA Negeri 1 Lengayang. Instrumen pengumpulan data menggunakan lembar validasi. Analisis data menggunakan rumus rerata. Berdasarkan proses penelitian dan pengembangan yang telah dilakukan, tahapan pengembangan buku ajar sejarah lokal tokoh-tokoh perempuan Minangkabau menggunakan model ADDIE yakni, analisis kebutuhan guru dan peserta didik serta kurikulum untuk mengembangkan buku ajar, merancang desain buku ajar, mengumpulkan materi tentang tokoh-tokoh perempuan Minangkabau (Rohana Kudus, Rahmah El-Yunusiyyah dan Rasuna Said), membuat draft bagian subbab, aktivitas dan asesmen tiap bab, menyusun materi perbab sesuai draft dan aktivitas tiap bab dan asesmen, mengumpulkan gambar tema bab dan subbab, membuat desain cover dan ukuran buku ajar, melakukan validasi (pengembangan), dan mengimplementasikan buku ajar melalui uji coba ke guru dan peserta didik serta melakukan evaluasi terhadap kelemahan dan kekurangan buku ajar yang dikembangkan. Hasil uji kelayakan materi ditujukkan oleh rerata skor 3,57 (sangat layak), sementara rerata skor uji kelayakan buku ajar 3,4 (sangat layak). Hasil uji praktikalitas oleh guru sejarah ditunjukkan dengan rerata skor 3,85 (sangat praktis). Hasil uji praktikalitas oleh peserta didik ditunjukkan oleh rerata skor 3,85 (sangat praktis). Artinya buku ajar sejarah lokal tentang Tokoh-Tokoh Perempuan Minangkabau dapat digunakan oleh guru dan peserta didik dalam implementasi kurikulum merdeka khususnya di Sumatera Barat.