bluuebunny/crossref_metadata_2025 huggingface dataset:
Method Development and Validation for the Simultaneous Estimation of Lobeglitazone Sulphate and Glimepiride by HPLC Method.
Authors: M Jadav . , S Mishra . , M Salunkhe .
Published: October 2024

A simple, precise, and accurate reverse-phase high-performance liquid chromatography (RP-HPLC) method was developed for the simultaneous estimation of lobeglitazone sulfate and glimepiride in bulk and tablet dosage forms. The method involved selecting various chromatographic parameters. Specifically, a new method was developed using a 250 mm × 4.6 mm (HSS) reverse-phase C18 column with 5 µm particle size (Shim-pack C18, 250 × 4.6 mm; 5 µm). The mobile phase consisted of 40 volumes of phosphate buffer (pH 3) and 60 volumes of acetonitrile, with methanol as the diluent, running as an isocratic elution. The flow rate was set at 1.0 mL/min, and UV detection was performed at 254 nm. The injection volume was 2 µL, and the total runtime was 10 minutes. The recoveries for lobeglitazone sulfate were found to be in the range of 101% to 100.6%, while those for glimepiride were in the range of 101.5% to 100%. The method’s accuracy is evident from these results. The inter-day and intra-day precision of the new method were both below the maximum allowable limit (RSD% ≤ 2.0), as per International Council on Harmonisation (Q2 R1) guidelines. The method exhibited a linear response, with correlation coefficient (r2) values of 0.9972% for pioglitazone and 0.998 for glimepiride. The validation parameters, such as accuracy, precision, linearity, specificity, stability in the analytical solution and robustness, met the acceptance criteria. Hence, this method can be effectively used for the simultaneous estimation of lobeglitazone sulfate and glimepiride in both bulk and pharmaceutical dosage forms.
Comparative Evaluation of Chemical Compositions and Antioxidant Activity in Fruiting Bodies and Mycelia of Volvariella volvacea and Pleurotus sajor-caju Extracts.
Authors: Chanate Wanna . , Narumon Boonman . , Sirirat Phakpaknam . , Jaruwan Chutrtong . , Piyada Wongwiwat .
Published: October 2024

Mushrooms, recognized for their rich medicinal and nutritional content, have garnered significant interest due to their potent antioxidant properties. This study investigates the fruiting bodies and mycelia of straw mushrooms (Volvariella volvacea) and grey oyster mushrooms (Pleurotus sajor-caju). The mushrooms were extracted using distilled water at ratios of 1:25, 1:30, and 1:35 g/mL by soaking in a temperature-regulated shaking bath set at 50°C. The aqueous extracts were analyzed for their bioactive components, including polysaccharides, proteins, GABA, total phenolic content (TPC), and total flavonoid content (TFC), along with their antioxidant capacities using DPPH and ABTS assays. The results indicated that the straw mushroom exhibited higher levels of polysaccharides, GABA, TPC, and TFC compared to the grey oyster mushroom, which contained higher protein levels. Specifically, the fruiting bodies extract of the straw mushroom demonstrated the highest levels of polysaccharides (416.94 mg/g extract), GABA (12.86 mg/g extract), TPC (33.27 mg GAE/g extract), and TFC (9.39 mg CE/g extract). Furthermore, the fruiting bodies extract showed a greater capacity to scavenge free radicals than the mycelia extract of both straw mushroom and grey oyster mushroom, with DPPH assay values of 0.65 and 0.47 mg TE/g extract and ABTS assay values of 2.26 and 1.74 mg TE/g extract, respectively. These results suggest that the fruiting bodies possess higher free radical scavenging potential as an outcome of their high levels of bioactive compounds. Consequently, these extracts indicate promise as natural antioxidative agents and could be effectively utilized as ingredients in the culinary industry.
Comprehensive Evaluation of Process Parameters in the Green Synthesis of Iron Oxide Nanoparticles Using Moringa olifera extract.
Authors: Mahaparale Sonali . , Patil Amruta . , Chougule Ashok D
Published: October 2024

This study investigates the green synthesis of iron oxide nanoparticles using Moringa olifera ethanolic extract and evaluates the impact of various process parameters on their physicochemical characteristics. The parameters examined include synthesis time, temperature, pH, stirring speed (RPM), and the ratio of extract to iron precursors. The findings reveal that a lower proportion of the extract increases the entrapment efficiency of the nanoparticles. Specifically, batch ME3 (3:1 ratio) produced the smallest nanoparticles at 117.8 nm, with a drug release of 75.54% and the highest entrapment efficiency at 60.28%. Extending the synthesis time to three hours in batch TM3 resulted in a drug release of 74.23% and a particle size of 116.3 nm. Batch TEM1, synthesized at 70°C, showed the highest entrapment efficiency and a favorable drug release profile of 71.09%, with the smallest particle size of 105.24 nm, suggesting that higher synthesis temperatures favor smaller particle sizes. Adjusting the pH to 10 in batch PM3 achieved a drug release efficiency of 76.02%. Batch RM5, synthesized with a stirring speed of 750 RPM, demonstrated a particle size of 95.7 nm and a drug release of 78.26%, indicating that higher stirring rates produce smaller nanoparticles and enhance drug release. These results highlight the significance of optimizing synthesis conditions to produce nanoparticles with desired properties. The use of M. olifera extract as a sustainable reducing and stabilizing agent presents an environmentally friendly approach to nanotechnology. This method has potential applications in drug delivery systems and various other industries, emphasizing the importance of green synthesis in creating sustainable and efficient nanomaterials.
Development and validation of High-Performance Thin Layer Chromatographic methods for simultaneous determination of antibacterial pharmaceutical formulations containing Clindamycin phosphate.
Authors: Tyagi Aditi . , Dave Hiral .
Published: October 2024

The main objective of this research is to establish and authenticate the High-Performance Thin-Layer Chromatographic techniques for the simultaneous assessment of Clindamycin phosphate in combination with Tretinoin (formulation-1) and Clindamycin phosphate with Adapalene (formulation-2), both of which are antimicrobial combinations. In the developed HPTLC methods, for combination-1, the optimized mobile phase was a mixture of n-Hexane: Ethyl acetate: ACN: Methanol (5:2:2:1 by volume) with observed Rf values of 0.413 and 0.787 for Clindamycin phosphate and Tretinoin, respectively. Similarly, for combination-2, the mobile phase comprised n-Hexane: Diethyl ether: Dichloromethane: Acetic acid (4:4:2:0.1 by volume) with recorded Rf values of 0.407 and 0.559 for Clindamycin phosphate and Adapalene, respectively. The developed methods are successfully validated as per the regulatory guidelines. This approach proves to be significantly time-saving and costeffective, rendering it suitable for routine analyses of the formulations containing selected antibacterial active pharmaceutical ingredients and commercial formulations.
High-Performance Liquid Chromatographic Method Development and Validation for Analysis of Expired and Marketed Doxofylline Tablets.
Authors: Puranik Manisha P , Mahapatra Debarshi Kar , Ganjiwale Rajendra O , Tiple Shital D
Published: October 2024

The objectives of the study were to develop a simple, reliable, sensitive and accurate high-performance liquid chromatography (HPLC) method for doxofylline pure and pharmaceutical dosage forms. HPLC method was developed for the estimation of doxofylline in pure and marketed, recently expired, and 1-year expired tablet formulations. Chromatographic separation of the drug was achieved on a stainless steel column 25 cm × 4.6 mm, packed with octadecylsilane bonded to porous silica (5 µm), Cosmosil® C18, column using a mobile phase of Potassium dihydrogen orthophosphate buffer: Acetonitrile pH 5.1 (60:40 v/v) at a flow rate of 1-mL/min. The drug eluted was monitored at 274 nm and the retention time of doxofylline was found to be 3.575 minutes, respectively. The validation of developed methods was done according to ICH Q2 (R1) guidelines. The calibration curve was linear over the range of 5 to 50 µg/mL. The correlation coefficient was found to be 0.9943 for doxofylline. The average retention time was found to be 3.538 minutes. The results were reproducible, showing the effectiveness of the system. The plate number was found to be 4909, which is also within the limit, i.e. ≥ 2000 prescribed in I.P. The dissolution studies of all three marketed, recently expired and 1-year expired formulations were carried out by using 0.01 M HCl and the results showed almost a similar rate of release profile and all three formulations accomplished the drug release within the limit. The developed and validated HPLC method offers a precise, accurate, and efficient analytical tool for the determination of doxofylline in pharmaceutical formulations.
Exploring The Role of Shirodhara In Alleviating Post-Covid Psychological Symptoms.
Authors: M Shamkuwar . , PV Sharma A. , D Kataria . , S Bhatted . , M Vyas . , G Ruknuddin . , B Bhatia .
Published: October 2024

The COVID-19 pandemic has profoundly impacted global mental health, leading to an increased prevalence of psychological symptoms such as - anxiety, depression, and insomnia. This review explores the potential role of Shirodhara, an ancient Ayurvedic therapy, in alleviating post-COVID psychological symptoms. A comprehensive literature search was conducted across PubMed, Scopus, and Google Scholar, up to May 2024, using terms such as “Shirodhara,” “post-COVID,” “insomnia,” “anxiety,” “stress,” “oil dripping therapy,” and “depression.” The findings indicate that Shirodhara may significantly promote mental well-being through its calming effects. Despite the promising results, further research, including Randomized controlled trials (RCTs), is needed to validate these findings and integrate ‘Shirodhara therapy’ into mainstream mental health treatment protocols. Tackling the psychological consequences of COVID-19 necessitates a multifaceted strategy, with Shirodhara potentially being key to improving the well-being of those impacted.
Hesperidin & Apigenin Attenuates Diabetes & Lipid Levels in Experimentally Induced Diabetes Mellitus in Wistar Rats.
Authors: Borkar Sudarshan . , Goyal Swapnil .
Published: October 2024

The aim of the present investigation is to study the antidiabetic potential of Hesperidin and Apigenin in Diabetic rats. Wistar Albino rats of either sex (150 to 200 g) were purchased from the CPCSEA approved vendor New Delhi. A total of three animals were used, which received a single oral dose in 500 mg/kg, body weight of different flavonoids. Doses equivalent to 25 mg and 50 mg per kilogram body weight were calculated, and suspended in 1% w/v Tween 80 solutions for the experiment. For OGTT, Different doses of both flavonoids i.e. Hesperidin & Apigenin were administered 60 min prior to oral glucose load (2.0 g/kg). Diabetes was induced in overnight fasted rats by Streptozotocin (60 mg/kg), 15 min. after the i.p. administration of Nicotinamide (120mg/kg). Streptozotocin was dissolved in citrate buffer (0.1 M, pH 4.5) & nicotinamide was dissolved in normal saline. During the study period of 21 days, animals was weighed at 0, 7, 14 and 21 day and effect of vehicle, standard drug and all solvent fractions on body weight was determined. Blood samples was collected by cardiac puncture and retroorbital plexus method into EDTA sprinkled tubes and centrifuged at 3000 rpm for 20 min. Serum was separated as supernatant and stored at -20°C until analysis performed. The biochemical parameters, namely hemoglobin, urea, creatinine, total protein, total cholesterol, triglycerides, HDL determined. The other biochemical tests were performed using kits from Erba Diagnostics. Hesperidin and Apigenin significantly prevented the increase in blood glucose levels after 60 min. of glucose administration at the doses of 25 and 50 mg/kg. After 21 days blood samples were collected by retro-orbital plexus under mild anesthesia. Diabetic control group with no drug treatment showed no significant difference in the fasting serum glucose level after 21 days treatment as compared to the initial day treatment. Hesperidin & Apigenin (25 mg/kg & 50 mg/kg) treated diabetic rat showed a significant (p < 0.05) increase in body weight. The diabetic rat treated with glibenclaimide (10mg/kg) showed gradual and consistent increase in body weight. Treated diabetic rat with Hesperidin & Apigenin showed significant fall in total cholesterol, triglycerides, HDL-C, LDL-C and VLDL-C level at dose of 25 and 50 mg/kg. The Hesperidin and Apigenin had the antidiabetic activity with effects on lipids and other kidney markers..
Revolutionizing Dermatology with Precision Delivery of Tazarotene via Nanogel Systems.
Authors: Patel Pawan , Chaudhary Jitendra Singh , Dubey Anubhav . , Singh Gyan .
Published: October 2024

The field of dermatology is being revolutionized with the introduction of precision delivery strategies, especially nanogels, which are improving the therapeutic potential of dermatological interventions. The present review has been compiled to elaborate on the remarkable potential of nanogel systems in targeting tazarotene, a retinoid that is deeply and widely utilized for treating several skin ailments such as acne, psoriasis, and photoaging. Given their outstanding priority, nano gels have attracted significant attention due to their distinct extent characteristics, including high biocompatibility, governed discharge properties as well and fast skin penetration contributed to improving formulation contrast of the traditional method. In this review, we summarize the various mechanisms of how nanogels enhance tazarotene solubility, stability and bioavailability, finally achieving better therapeutic effects with lower side effects. The article also delves into the latest nanogel manufacturing methods and what they mean for potential dermatologic treatments of the future. Leveraging the power of nanogel-based delivery routes ensures more efficient, targeted treatments; these innovative nano-delivery vehicles will enable a revolution in dermatological practice.
Insights of Pergularia daemia in Neurodegenerative Conditions: An Overview.
Authors: Singarakani Anitha . , Ramakrishnan Prakash .
Published: October 2024

As a growing cause of mortality and morbidity, neurodegenerative diseases (NDs) are becoming increasingly prevalent throughout the world, particularly among elderly people. The symptoms of Huntington’s disease and Parkinson’s disease (PD) are characterized by the loss of neurons and the degeneration of neurons. Neurodegenerative diseases are understood to have several causes, but their causes remain a mystery. It is important to note that there are many approved drug regimens for NDs, which can be used to treat symptoms but cannot heal the condition. It may be possible to utilize natural products to prevent and treat NDs in a very positive way. Several perennial herbs grow along Indian roadsides, including Pergularia daemia (Asclepiadaceae). Thespecies can be found widely in tropical and subtropical regions. Natural medicine has developed a significant interest in this plant species, which is rich in flavonoids, glycosides, tannins, and terpenoids. Several chronic diseases, including cancer, arthritis, diabetes, and neurodegenerative disorders, have been successfully treated with these secondary metabolites. Aside from this, they have notable pharmacological properties, including analgesic, anorectic, and antioxidant properties. This review provides a synthesis of existing knowledge regarding the anti-inflammatory and neuroprotective effects of P. daemia, emphasizing its potential as a natural medicine source.
A Review on QbD Approach in Analytical Method Development and Validation .
Authors: Nunsavathu Sambasiva Naik , Rajaganapathy K .
Published: October 2024

Quality by Design (QbD) is a cutting-edge pharmaceutical development that enhances analytical method robustness by emphasizing a thorough understanding of processes, risk management, and continuous improvement. Unlike traditional methods that often focus on end-product testing, QbD integrates quality into the development stages through a structured process. This involves defining the analytical target profile, identifying critical quality attributes, and employing the design of experiments to optimize method parameters. The implementation of QbD begins with a comprehensive understanding of the analytical objectives, leading to the identification of method variables that impact quality. Using risk assessment tools such as failure mode and effects analysis, developers can pinpoint potential risks and focus on areas of highest concern. Design of Experiments (DoE) plays a crucial role in this approach by exploring the interaction between variables and establishing a robust design space. Organizations can decrease variability, comply with regulations, and perform better methods when they adopt QbD concepts. This systematic approach not only minimizes the risk of method failures but also ensures consistent product quality, leading to increased patient safety and satisfaction. Furthermore, QbD facilitates faster development cycles and cost efficiencies by reducing the need for post-launch troubleshooting and modifications. This abstract provides a comprehensive overview of the role and significance of QbD in analytical method development, highlighting its components, benefits, and impact on the pharmaceutical industry.
A Role of Artificial Intelligences in Drug Discovery and Drug Development – A Critical Review.
Authors: Rajagopalan Ramanathan . , M Shalika . , M Arunprasath . , R Senthamarai .
Published: October 2024

Artificial intelligence (AI) is lowering the period and cost of the medication research and discovery process Artificial Intelligence is a revolution of medical research in pharmaceutical companies. In a review article, we give a summary of the many artificial intelligence tools of machine learning (ML) and deep learning (DL) techniques that will be used in drug research and discovery in the future. AI techniques and tools are more specifically designed or better programmed to mimic the operations of the human brain. AI is frequently used in drug discovery for de novo drug creation, virtual screening, reaction prediction, and de novo protein design. In addition, the application of AI and techniques of AI. ML is a disease diagnosis, de novo drug design, drug prediction for diseases, and big data prediction using ANN, CNN, and SNN, as well as deep learning. Furthermore, the function, applications, and methods of AI. Technological hurdles also face the contemporary XAI, and “low level” molecular representations (such as SMILES strings) that are useful for machine learning and AI tools are ‘deep chem’ in drug development several cutting-edge methods referred to as Knowledge Base Systems (KBS). The AI-based nanorobots are drug discovery on creating implantable nanorobots for the targeted delivery of medications and genes, factors including sustained release, dose modification, and control release need to be taken into consideration. Finally recent development of ML and DL techniques and AI models are more useful in the drug development and drug discovery process.
Novel Drug Delivery Approach for Breast Cancer.
Authors: More Janhavi . , Ingle Rahul G
Published: October 2024

Bosom malignant growth, otherwise called carcinoma of the bosom tissues, is the most widely recognized disease that repeats in ladies and the main source of death around the world, guaranteeing almost 5 million lives yearly. The world’s most developed regions have a higher incidence rate of BC than less developed regions. Yet, the demise rate was found to be more prominent in immature countries. Fewer curative options were discovered in approximately 7% of women under the age of 40. A reasonable system for its initial recognition and viable treatment might come from recently created imaginative conveyance innovations. In order to work on the therapy of bosom disease, the current focus of cancer research is on developing new delivery methods for chemotherapeutic medicines, such as liposome assemblies, hydrogel-based extracellular particles, dendrimer, microspheres, microbubbles, phytosomes, micelles, and nanoformulations. In order to diagnose and treat BC, numerous cutting-edge medication delivery technologies and methods are discussed in this review.
Natural Neuroprotectors and their Role in Alzheimer’s Disease.
Authors: Barde Hrishikesh . , Khobragade Samiksha . , Bhoyar Kartik . , Chaudhari Tanmay
Published: October 2024

Medicinal herbs have garnered significant attention as possible healing go-betweens for Alzheimer’s illness due to their diverse bioactive compounds and antioxidant properties. This review explores the efficacy of various medicinal herbs, including Ginkgo biloba, Turmeric (Curcuma longa), and Bacopa monnieri, in managing Alzheimer’s virus. These herbs contain compounds such as flavonoids, polyphenols, and curcuminoids, which show antioxidant, anti-inflammatory, and neuroprotective effects. Through mechanisms like free radical scavenging, modulation of neuroinflammatory pathways, and enhancement of synaptic plasticity, these herbs may offer promising adjunctive treatments to conventional therapies. The review highlights current research findings, discusses the mechanisms of action, and identifies future research directions to validate the clinical benefits of these herbal remedies in Alzheimer’s virus management.
Misuse of Antibiotics in Pediatric Patients – A Comprehensive Review .
Authors: Shende Deep . , Ingle Rahul G
Published: October 2024

To identify and assess the likely causes of antibiotic overuse in the Pediatric outpatient department (OPD) of a busy teaching hospital. Overuse of antibiotics has emerged as a significant global pediatric concern. Specifically, the sale of drugs without a prescription from a doctor and other circumstances may have an impact on the abuse of antibiotics. Antibiotic resistance is encouraged by the misuse of antibiotics, particularly when antibiotics are used, even when they are not the recommended course of therapy. The Centers for Disease Control and Prevention estimate that between one-third and half of all antibiotic usage in humans is unwarranted or improper. Viral pathogens are the primary cause of respiratory tract infections (RTI) in children compared to adults. Interestingly, compared to adults with RTI, very little is known regarding the usage of antibiotics in children.
Sensitization and allergy to pineapple and coconut juice in patients followed up for allergic diseases in Parakou, Benin
Authors: Ade Serge , Dovonou Albert Comlan , Efio Mariano , Houedanou Hermione , Yabi Yannick , Fanou Lionelle , Harries Anthony D.
Published: October 2024

Objectives:

Little is known about adverse food reactions. The aim of this study was to investigate the sensitization and allergy to two tropical fruits, pineapple (Ananas comosus) and coconut (Cocos nucifera), among patients followed up for allergic disease in Borgou Teaching Hospital in Parakou, Benin.

Materials and Methods:

A prospective cross-sectional study was conducted in 2021. Adult patients (≥18 years) who were followed up for allergic asthma, rhinitis, or conjunctivitis were included in the study. Information on clinical manifestations following pineapple juice or coconut water drinking was collected, and skin prick testing was carried out.

Results:

Overall, 101 patients were enrolled, male-female ratio of 0.4:1 and mean age of 33.4 (±14.4) years. Clinical manifestations were triggered by pineapple in 53.5%, mainly mouth and lip pruritus (38.6%). The prevalence of sensitization was 36.6%. Allergy was diagnosed in 24.8% (or 46.3% of those who complained) and was associated with mouth and lip pruritus (odds ratio [OR] = 4.1; 95% confidence interval [CI] = 1.6–10.6; P = 0.003), bronchospasm (OR = 3.7;95%CI = 1.1–12.7; P = 0.031), allergic rhinitis (OR = 3.5; 95%CI = 1.2–10.4; P = 0.020), and conjunctivitis (OR = 4.4; 95%CI = 1.6–12.5; P = 0.007). Clinical manifestations after ingestion of coconut water reportedly occurred in 18.8% and were mostly bronchospasm (8.9%). The prevalence of sensitization was 20.8%. Allergies were diagnosed in 6.9% (or 33.3% of those who complained), with no association found with demographic or clinical characteristics.

Conclusion:

Pineapple is a common cause of food allergy among patients who are followed up in Borgou Teaching Hospital, while coconut is less responsible for this disorder. More studies are required to improve knowledge of allergic diseases in Sub-Saharan Africa, which is facing an epidemiological transition.
Article court : Le comportement non verbal lors de procès devrait-il être ignoré?
Authors: Denault Vincent , Talwar Victoria
Published: October 2024

Au Canada, la Cour suprême du Canada reconnait l’importance de la communication non verbale lors de procès, tant pour l’évaluation de la crédibilité que pour le contre-interrogatoire. Toutefois, en pratique, la popularité de croyances non fondées et démontrées fausses soulève des questions quant à l’usage de du comportement non verbal lors de procès. Devant un tel constat, le comportement non verbal lors de procès devrait-il être ignorée? Pour répondre à cette question, dans un premier temps, un retour sur les fonctions du comportement non verbal sera effectué et, dans un deuxième temps, les arguments contre l’usage du comportement non verbal seront résumés. Cet article court se termine par un appel à apprécier à sa juste valeur le comportement non verbal des témoins lors de procès.
MAYA (Multiple ActivitY Analyzer): An Open Access Tool to Explore Structure Multiple Activity Relationships in the Chemical Universe
Authors: Espinoza-Castañeda J. Israel , Medina-Franco Jose L.
Published: October 2024

Herein, we introduce MAYA (Multiple Activity Analyzer), a tool designed to automatically construct a chemical multiverse, generating multiple visualizations of chemical spaces of a compound data set described by structural descriptors of different nature such as Molecular ACCess Systems (MACCS) keys, extended connectivity fingerprints with different radius, molecular descriptors with pharmaceutical relevance, and biological descriptors. These representations are integrated with various data visualization techniques for the automated analysis focused on structure - multiple activity/property relationships, enabling analysis for various problems set in user-friendly source software. The source code of MAYA is freely available on GitHub at https://github.com/IsrC11/MAYA.git
Molecular Simulations with a Pretrained Neural Network and Universal Pairwise Force Fields
Authors: Kabylda Adil , Frank J. Thorben , Dou Sergio Suarez , Khabibrakhmanov Almaz , Sandonas Leonardo Medrano , Unke Oliver T. , Chmiela Stefan , Muller Klaus-Robert , Tkatchenko Alexandre
Published: October 2024

Machine Learning Force Fields (MLFFs) promise to enable general molecular simulations that can simultaneously achieve efficiency, accuracy, transferability, and scalability for diverse molecules, materials, and hybrid interfaces. A key step toward this goal has been made with the GEMS approach to biomolecular dynamics [Sci. Adv. 10, eadn4397 (2024)]. This work introduces the SO3LR method that integrates the fast and stable SO3krates neural network for semi-local interactions with universal pairwise force fields designed for short-range repulsion, long-range electrostatics, and dispersion interactions. SO3LR is trained on a diverse set of 4 million neutral and charged molecular complexes computed at the PBE0+MBD level of quantum mechanics, ensuring a comprehensive coverage of covalent and non-covalent interactions. Our approach is characterized by computational and data efficiency, scalability to 200 thousand atoms on a single GPU, and reasonable to high accuracy across the chemical space of organic (bio)molecules. SO3LR is applied to study units of four major biomolecule types, polypeptide folding, and nanosecond dynamics of larger systems such as a protein, a glycoprotein, and a lipid bilayer, all in explicit solvent. Finally, we discuss the future challenges toward truly general molecular simulations by combining MLFFs with traditional atomistic models.
Unidirectional molecular rotary motor with remotely-switchable rotation direction
Authors: Szychta Kamil , Jankowska Joanna
Published: October 2024

Abstract: Light-driven rotary motors allow direct transformation of light energy into unidirectional rotary motion at the nanoscale, giving rise to countless emerging applications in molecular engineering. The key feature enabling the unidirectional rotation and controlling its direction is the motor chirality, an inherently chemical factor, hard to modify postsynthetically. Here we propose a new molecular rotary motor architecture, E-motor, in which the motor operation direction can be switched in situ, without the need for chemical modification of the system structure. This effect is achieved by application of an external electric-field pulse, and is intended to provide means for chirality control in motors deposited on a surface. Our study relies on quantum-chemical calculations and nonadiabatic molecular dynamics simulations performed for a specifically-tailored system, PFCN, designed to provide illustration for the proposed new motor type. We show that the model system’s chirality and, hence, its operation direction, depends on orientation of a covalently bound polar switching unit, which can be controlled with an external electric field. At the same time, the proposed system manifests all characteristic photophysical properties of a unidirectional molecular motor, and its set chirality is preserved, i.e., it is thermally and optically stable during the regular motor operation in the absence of the electric field.
PROBLEMS OF LABOUR ORGANISATION AT INDUSTRIAL PLANTS OF THE KAZAKH SSR DURING THE SECOND WORLD WAR (1941-1945)
Authors:   AL-FARABI KAZAKH NATIONAL UNIVERSITY, Zharkynbayeva Roza , Doskalieva Meruert
Published: October 2024

Labour was one of the key aspects of the relationship between power and society in the Soviet Union. The ideology of a conscious attitude to labour was an important component of socialist working discipline. However, with the outbreak of World War II and the challenges it posed, including economic crisis, starvation and devastation, the problems of labour discipline in the work collectives became more pronounced. Under wartime conditions, workers were sometimes forced to take extraordinary measure to solve their problems. Despite the fact that the orders and decrees of the Soviet leadership testify to the strict regulation of the life of Soviet society on the home front, violations of labour discipline expose many structural problems of the Soviet system of management. Numerous forms of labour discipline violations were documented at industrial enterprises during the war. The study of the peculiarities and problems of labour organization at enterprises evacuated to Kazakhstan provides an opportunity to understand the nature and features of the functioning of the Soviet mobilisation system within the war years. The study of labour discipline of workers at defence enterprises during the war also allows us to go beyond established ideological frameworks. The main group of sources includes documents extracted from the fonds of the Archive of the President of the Republic of Kazakhstan (AP RK), the State Archive of Western Kazakhstan Region (GAZKO), the State Archive of Almaty city (GA Almaty).
Investigating Seasonal Variation in The Phytochemical and Antioxidant Capacities of Different Sphagnum Taxa
Authors: Aşkın Çelik Tülay , Aslantürk Özlem Sultan , Aslan Gözde , Kırmacı Mesut
Published: October 2024

This study investigated the phytochemical content and antioxidant activities of four Sphagnum taxa (S. centrale, S. palustre, S. teres and, S. auriculatum) collected from the Black Sea region of Turkey during two different seasons. The phytochemical groups in the methanol extracts of Sphagnum taxa were identified using qualitative screening methods. The total phenol content of these taxa was quantitatively determined using Folin-ciocalteu reagent with gallic acid equivalents as the standard their antioxidant activities were evaluated by 1,2-diphenyl-1-picrylhydrazyl free radical scavenging ability (DPPH), the CUPRAC test, and phosphomolybdenum assay. Qualitative phytochemical screening of the methanol extracts showed that phenols, tannins, and saponins were present in the extracts, whereas alkaloids and flavonoids were absent. The highest DPPH free radical scavenging activity was observed in 100 µgmL-1 S. teres methanol extract (74.47±0.001% in the first season, September 2021 and 75.37±0.002% in the second season, May 2022). The highest total antioxidant capacity was found in 100 µgmL-1 S. palustre extract (81.00±0.027% in the first season and 84.87±0.002% in the second season). The results of our experiment showed that Sphagnum taxa collected in spring had higher antioxidant activity than those collected in autumn.
Audit Committee Report and Financial Performance of the Manufacturing Firms Listed on Nairobi Securities Exchange
Authors: Esing’ole Moyiah Ernest , Alala Benedict Ondiek , Edwin Jairus Simiyu
Published: October 2024

Purpose: This research evaluated the effects of audit committee reports on the financial outcomes of manufacturing firms that are listed on the Nairobi Securities Exchange.
Methodology/Approach: Panel data analysis was employed in the study, it utilized quantitative, and correlational research designs were applied.
Data gathered from audited financial statements of respective firms. The study utilized secondary data obtained historically from the NSE. Data was collected, coded, entered, cleaned, and analysed using the STATA 15.
Findings: The findings of this analysis give compelling evidence against null hypotheses. The study found that manufacturing firms with robust audit committee reports tend to exhibit stronger governance structures and oversight mechanisms.
Implications: The study recommends Manufacturing firms should prioritize engaging auditors with relevant industry expertise and specialized knowledge.
Evaporação no semiárido: análise de sensibilidade e comparação de métodos para estimativa
Authors: Ferreira Barros Tays , Bruna Marim de Moura Márcia , George Freire da Silva Thieres , Florentino de Morais José Edson , Alves de Souza Carlos André , Maniçoba da Rosa Ferraz Jardim Alexandre , Soelma Beserra de Moura Magna , Bastos de Souza Luciana Sandra
Published: October 2024

O conhecimento das taxas de evaporação auxilia no planejamento do uso dos recursos hídricos. Porém, sua quantificação exige diversos dados meteorológicos e pode ser afetada diferentemente por eles. Assim, objetivou-se: i) analisar a sensibilidade da evaporação obtida pelo Tanque Classe “A” (TCA) e estimada pelo método de Penman (1948) às variáveis meteorológicas e ii) investigar as correlações dos valores de evaporação do TCA e da evaporação estimada com métodos de Linacre (1993) e de Kohler (1955) em relação aqueles estimados com o método de Penman (1948). Foram utilizados dados diários para um período de trinta anos obtidos em uma estação meteorológica localizada no município de Juazeiro-BA. Os valores de E obtidos pelo TCA e Penman (1948) foram correlacionados com as variáveis meteorológicas por meio de análises de regressão. Adicionalmente, foi realizada a determinação da E por meio de métodos alternativos: Linacre (1993) e Kohler (1955) e estas informações, bem como aquelas obtidas pelo TCA foram correlacionadas com o método de Penman (1948), considerado padrão neste estudo. A proximidade dos valores foi avaliada por meio do coeficiente de correlação de Pearson (r), coeficiente de determinação (r²) e o índice de concordância de Willmott (d). Os valores de evaporação medida pelo TCA e estimada pela equação de Penman (1948) foram sensíveis ao déficit de pressão de vapor. A E estimada pelo método de Linacre (1993) e Kohler (1955) apresentou boa aproximação com aquela resultante da equação de Penman, mostrando a possibilidade de utilização destes métodos nas condições analisadas.
Efeitos da concentração de black carbon na radiação e emissividade atmosférica do Pantanal Mato-Grossense
Authors: Barbosa Thamiris Amorim dos Santos , Josefa Araujo da Silva Haline , Matheus de Souza Lima André , Roberto de Paulo Sergio , Jorge Cabral de Paulo Iramaia , Silva Palácios Rafael , Basso Marques João , Francisco Amorim Curado Leone
Published: October 2024

O Pantanal é um dos maiores sistemas alagados do mundo e desempenha um papel significativo na biodiversidade e no ecossistema local. No entanto, o aumento do desmatamento e dos incêndios florestais na região se tornou uma das principais fontes de emissão de aerossóis atmosféricos na região. O Black Carbon é um aerossol que tem a capacidade de absorver a luz solar, contribuindo para o aquecimento da atmosfera e alterando o balanço de radiação Terra-atmosfera. O objetivo da pesquisa é analisar os efeitos das concentrações do Black Carbon na capacidade de espalhamento e absorção da Radiação Global (Rg), Radiação Líquida (Rn), e Emissividade Atmosférica (E) na região do Pantanal Mato-Grossense. Foram coletados dados de uma torre micrometeorológica, localizada na Base Avançada de Pesquisas do Pantanal (BAPP) da Universidade Federal de Mato Grosso (UFMT), na Fazenda Bahia das Pedras, na RPPN SESC no município de Poconé - MT entre os anos 2017 à 2019.  A análise estatística dos dados envolveu a aplicação de regressão linear e o Co-espectro para analisar eventos específicos e padrões sazonais. Os resultados apontam para uma influência significativa do Black Carbon com concentrações significativas acima de 0,10 μm³ sobre as variáveis meteorológicas. Durante o período abordado observou-se uma redução notável na Rg e Rn devido à capacidade de absorção do BC, tendo como consequência o aquecimento de camadas atmosféricas. Também notou-se que em altas concentrações o BC promove o bloqueio da Emissividade Atmosférica. Na análise do Co-espetro uma interdependência entre a concentração de BC e as variáveis relacionadas à radiação com periodicidade de 1 ano. A pesquisa mostra a importância de considerar o BC como um componente relevante nas discussões sobre mudanças climáticas e interações entre aerossóis e variáveis micrometeorológicas no Pantanal.
Korelasi Vitamin D terhadap Kadar Antimullerian Hormone pada Pasien Sindroma Ovarium Polikistik dengan Obesitas di Kota Palembang
Authors: Usman Fatimah , Putra Hadrians Kesuma , Abadi A , Siahaan Salmon Charles
Published: October 2024

Polycystic Ovary Syndrome (PCOS) is one of the most common endocrine system disorders affecting women of reproductive age. One of the biomarkers for the diagnosis of PCOS is Anti Mullerian Hormone (AMH). Meanwhile, women with PCOS are at higher risk for vitamin D deficiency. The research aims to examine vitamin D and AMH for PCOS women with obesity. PCOS or also known as hyperandrogenic anovulation (HA), or Stein-Leventhal syndrome, is one of the most common endocrine system disorders affecting women of reproductive age. This study was analytic with a cross-sectional approach. The subjects were women with PCOS who went to Dr. M. Hoesin Sriwijaya University (n=30). Inclusion criteria were patients diagnosed with PCOS using Rotterdam, patients who had not received therapy for insulin resistance, and were obese. The exclusion criteria were that the patient couldn’t fulfill Rotterdam criteria and/or option not to participate in this study. The results were that most patients experienced oligomenorrhea (76.7%), the age mean was 31.17 years, and the BMI mean was 33.4 kg/m2. The Spearman correlation test showed a negative correlation between AMH and Vitamin D (p=0.011, correlation coefficient=-0.458). There was no correlation between BMI and vitamin D in PCOS patients, but there was a negative correlation between AMH and vitamin D levels.
Bakteri Penyebab Gingivitis dan Sensitivitas Antibiotik Pada Pasien Diabetes Melitus
Authors: Endriani Rita , Rafni Elita , Nabila Hanifah Farah , Berlianti Monica Putri , Alhadi Dio Arif
Published: October 2024

Gingivitis is an inflammation of the gingiva caused by plaque and poor oral hygiene, including in patients with long-term diabetes mellitus and uncontrolled blood glucose. Gingivitis is caused by various bacteria such as Streptococcus sp, Staphylococcus aureus, Enterococcus faecalis, Streptococcus pneumoniae, Streptococcus pyogenes, Neisseria meningitidis and also the Enterobacteriaceae family, Haemophilus influenzae and Actinomycetes. Management of infection with antibiotics, especially beta-lactam class. The study aimed to determine the characteristics of the research subjects, the type of bacteria, and their sensitivity to the bacteria that cause gingivitis in diabetes mellitus (DM) patients. The research was a cross-sectional descriptive study at the internal medicine polyclinic at Arifin Achmad Hospital, Riau Province, and the Microbiology Laboratory of Medical Faculty, Universitas Riau. The research sample was a gingivitis plaque swab in DM patients who signed an informed consent. Samples were cultured, identified, and tested for antibiotic sensitivity. The results of the study obtained 34 samples with characteristics aged 33-67 years, most of them were women, high school education/equivalent, civil servants/army/police/retired. Most aerobic bacteria Klebsiella sp. The highest sensitivity to levofloxacin, amikacin, ciprofloxacin, trimethoprim-sulfamethoxazole, and meropenem, the lowest sensitivity to amoxicillin, ceftazidim, and amoxicillin-clavulanic acid.
VOICES OF RESILIENCE: THE LANGUAGE AND ORAL TRADITIONS OF THE HIJRA COMMUNITY
Authors: Sharma Leena
Published: October 2024

This paper explores the intricate relationship between language, performance, and identity within the Hijra community, a marginalized group in South Asia known for its rich oral traditions. Through a detailed examination of the community's songs, rituals, and social practices, the study highlights how language serves as both a means of communication and a powerful symbol of cultural identity. The Hijra community primarily relies on oral narratives, utilizing regional scripts to document their songs while maintaining a vibrant oral culture. Interviews with community members reveal their daily lives, the challenges they face, and their unique role in performing blessings during significant life events. This research further investigates the performative aspects of their existence, illustrating how Hijras navigate societal norms and assert their identities through artistic expression. By categorizing their songs into distinct forms, such as Badhai and Banna-Banni Geet, the paper emphasizes the significance of these musical practices in preserving cultural heritage. Ultimately, the findings underscore the resilience of the Hijra community and the importance of language as a living expression of identity, history, and community.
Unveiling Israel's Moral Claims: Truth and Western Collaboration
Authors: Aissiou Dina
Published: October 2024

This paper will critically examine the prevailing narrative of Israel's self-proclaimed innocence that dominates Western discourse, often reinforced through censorship and selective publications. In doing so, it uncovers the evident disparity between Israel's proclaimed ethical standing and the documented instances of severe human rights violations against the Palestinian population, including Apartheid and the suppression of Palestinian voices. This paper will also shed light on the inconsistent reactions of Western media by contrasting responses to Israel's human rights abuses with those directed towards other nations committing similar atrocities. By unravelling these discrepancies, this research contributes to a deeper understanding of the ethical dimensions surrounding the Palestinian occupation and questions the portrayal of Israel's actions and their reception in the global media landscape.
Author’s note: This was written in honor of Palestinian civilians suffering the ongoing genocide inflicted by Israel on the Gaza Strip and neighboring villages since October 7, 2023. More than 32000 Palestinians, 1/3rd being children, as of March 27th, 2024, have been murdered.
A INFLUÊNCIA DAS ÁREAS VERDES NO USO DE ESPAÇOS PÚBLICOS: UM ESTUDO DE CASO DA PRAÇA SANTOS DUMONT EM FLORIANÓPOLIS (SC), BRASIL
Authors: Lima Felisberto Lara , Francisco Reis Almir
Published: October 2024

A cobertura arbórea em espaços urbanos desempenha um papel essencial na melhoria de seu valor ambiental e estético, além de tornar as ruas, praças e parques mais atraentes. Este estudo enfoca a distribuição de árvores na Praça Santos Dumont, Florianópolis (SC), Brasil, do ponto de vista dos usuários, com o objetivo de avaliar se o layout atual atende às suas necessidades. A metodologia de pesquisa envolve observação no local, mapeamento das árvores e pesquisas realizadas com visitantes regulares. Os resultados revelam preocupações sobre o projeto do espaço, especialmente a falta de cobertura arbórea em grandes áreas, o que resulta em exposição excessiva ao sol e reduz o desejo das pessoas de usar o espaço.
Katılım Bankacılığında Aktif Kârlılığı ve Özkaynak Kârlılığı Üzerine Etki Eden Faktörler
Authors: Demirel Serkan , Ulusoy Ahmet , Varol Gizem
Published: October 2024

Bu çalışmada, Türkiye'deki katılım bankalarının finansal performansını değerlendirmek amacıyla 2016:Q1-2023:Q4 dönemlerindeki finansal verileri içeren bir veri seti kullanılmıştır. Veri seti; Albaraka, Kuveyt Türk, Türkiye Finans, Vakıf Katılım ve Ziraat Katılım bankalarının her bir çeyrek dönem için çeşitli finansal göstergelerini kapsamakta ve toplamda 160 gözlem içermektedir. Çalışmada aktif karlılık ve özkaynak karlılığı bağımlı değişken; büyüme oranı, kredi temerrüt takas oranı, finansal hizmetlere güven değişkeni, döviz kuru ve kar pay oranı bağımsız değişken olarak belirlenmiştir. Çalışmada, bankaların finansal performansını belirleyen faktörlerin analiz edilmesinde hem zaman, hem de yatay kesit etkilerini dikkate alan panel veri analizi kullanılmıştır. Araştırmadan elde edilen bulgulara göre, kredi temerrüt takası, döviz kuru ve kar payı oranının katılım bankalarının performansı üzerinde anlamlı etkileri bulunmaktadır. Ayrıca büyümenin aktif karlılık üzerindeki etkisi anlamlı iken özkaynak karlılığı üzerindeki etkisinin anlamlı olmadığı sonucuna ulaşılmıştır. Finansal hizmetlere güvenin ise katılım bankalarının performansı üzerinde anlamlı bir etkisi yoktur.
Dependence of the volume stability on the expansion rate of low-expansion foam
Authors: Kamluk A. N. , Likhomanov A. O. , Govor E. G.
Published: October 2024

In this work, we analyzed and summarized the results of experimental studies of the characteristics of air-mechanical foam generated on the deflector type sprinklers and in the foam generating devices with mesh using three brands of general purpose foam concentrates, one brand of special purpose foam concentrate and one brand of foam concentrate used to extinguish fires as a wetting agent. As a result of the analysis, a linear dependence of the volume stability on the expansion rate of the foam was established, and the influence of physical characteristics (wetting ability, surface tension and dynamic viscosity) and the jet speed of the foam concentrate solution on the proportionality coefficient of the established dependence was determined. This dependence relates the stability and expansion rate of foam not only when using deflector type sprinklers for automatic extinguishing systems, but also using nozzles of fire barrels and other foam-generating devices that allow the generation of low-expansion air-mechanical foam, and does not depend on the geometric dimensions of the devices used. The resulting equation makes it possible to determine the stability of foams using the value of their expansion rate. It will help to reduce the time and money spent on experimental determination of the foam stability.