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In silico study of some selective phytochemicals against a hypothetical SARS-CoV-2 spike RBD using molecular docking tools
Background: This world is currently witnessing a pandemic outbreak of COVID-19? caused by a positive-strand RNA virus SARS-CoV-2. Millions have succumbed globally to the disease, and the numbers are increasing day by day. The viral genome enters into the human host through interaction between the spike protein (S) and host angiotensin-converting enzyme-2 (ACE2) proteins. S is the common target for most recently rolled-out vaccines across regions. A recent surge in single/multiple mutations in S region is of great concern as it may escape vaccine induced immunity. So far, the treatment regime with repurposed drugs has not been too successful. Hypothesis: Natural compounds are capable of targeting mutated spike protein by binding to its active site and destabilizing the spike-host ACE2 interaction. Materials and methods: A hypothetical mutated spike protein was constructed by incorporating twelve different mutations from twelve geographical locations simultaneously into the receptor-binding domain (RBD) and docked with ACE2 and seven phytochemicals namely allicin, capsaicin, cinnamaldehyde, curcumin, gingerol, piperine and zingeberene. Molecular Dynamic (MD) simulation and Principal Component Analysis (PCA) were finally used for validation of the docking results. Result: The docking results showed that curcumin and piperine were most potent to bind ACE2, mutated spike, and mutated spike-ACE2 complex, thereby restricting viral entry. ADME analysis also proved their drug candidature. The docking complexes were found to be stable by MD simulation. Conclusion: This result provides a significant insight about the phytochemicals' role, namely curcumin and piperine, as the potential therapeutic entities against mutated spike protein of SARS-CoV-2. 2021 -
In situ fabricated MOF-cellulose composite as an advanced ROS deactivator-convertor: Fluoroswitchable bi-phasic tweezers for free chlorine detoxification and size-exclusive catalytic insertion of aqueous H2O2
Combining the merits of structural diversity, and purposeful implantation of task-specific functionalities, metal-organic frameworks (MOFs) instigate targeted reactive oxygen species (ROS) scavenging and concurrent detoxification via self-calibrated emission modulation. Then again, grafting of catalytically active sites in MOFs can benefit developing a greener protocol to convert ROS generators to technologically important building blocks, wherein tailorable MOF-composite fabrication is highly sought for practical applications, yet unexplored. The chemo-robust and hydrogen-bonded framework encompassing free -NH2 moiety affixed pores serves as an ultra-fast and highly regenerable fluoro-probe for selective detection of toxic ROS producers hypochlorite ion (ClO-) and H2O2 with record-level nanomolar sensitivity. While the bio-relevant antioxidant l-ascorbic acid (AA) imparts notable quenching to the MOF, a significant 3.5 fold emission enhancement with bi-phasic colorimetric variation ensues when it selectively scavenges ClO- from uni-directional porous channels through an unprecedented molecular tweezer approach. Apart from a battery of experimental evidence, density functional theory (DFT) results validate "on-off-on"fluoroswitching from redistribution of MOF orbital energy levels, and show guest-mediated exclusive transition from "Tight state"to "Loose state". The coordination frustrated metal site engineered pore-wall benefits the dual-functionalized MOF in converting the potential ROS generator H2O2via selective alkene epoxidation under mild-conditions. Importantly, sterically encumbered substrates exhibit poor conversion and demonstrate first-ever pore-fitting-induced size selectivity for this benign oxidation. Judiciously planned control experiments in combination with DFT-optimized intermediates provide proof-of-concept to the ionic route of ROS conversion. Considering an effective way to broaden the advanced applications of this crystalline material, reconfigurable MOF@cotton fiber (CF) is fabricated via in situ growth, which scavenges free chlorine and concomitantly squeezes it upon exposure to AA with obvious colorimetric changes over multiple real-life platforms. Furthermore, multi-cyclic alkene epoxidation by MOF@CF paves the way to futuristic continuous flow reactors that truly serves this smart composite as a bimodal ROS deactivator-convertor and explicitly denotes it as an advanced promising analogue from contemporary state-of-the-art materials. The Royal Society of Chemistry. -
In situ growth of octa-phenyl polyhedral oligomeric silsesquioxane nanocages over fluorinated graphene nanosheets: super-wetting coatings for oil and organic sorption
Superhydrophobic surfaces offer significant advantages through their hierarchical micro/nanostructures, which create optimal surface roughness and low surface energy, making the development of robust surfaces essential for enhancing their physical and chemical stability. Here, we introduce in situ growth of octa-phenyl polyhedral oligomeric silsesquioxane (O-Ph-POSS) nanocages over multi-layered fluorinated graphene (FG) nanosheets through hydrolysis/condensation of phenyl triethoxysilane in an alkaline medium to produce a robust POSS-FG superhydrophobic hybrid. The efficient in situ growth of O-Ph-POSS nanocages over FG nanosheets was confirmed by FT-IR spectroscopy, PXRD, SEM, TEM, TG analysis, 29Si NMR spectroscopy, N2 adsorption-desorption isotherms and XP spectroscopy. The as-synthesized O-Ph-POSS over FG becomes superhydrophobic with a water contact angle (WCA) of 152 2 and a surface free energy (SFE) of 5.6 mJ m?2. As a result of the superhydrophobic property and robust nature of the POSS nanocage, O-Ph-POSS over FG nanosheets revealed the absorption capability for oils/organic solvents ranging from 200 to 500 wt% and were applied to coat onto the polyurethane (PU) sponge to effectively separate various oils and organic solvents from water mixtures, achieving separation efficiencies between 90% and 99%. Importantly, O-Ph-POSS-FG@Sponge still retained a separation efficiency of over 95% even after 25 separation cycles for hexane spill in water. The sponge efficiently separates toluene and chloroform using a vacuum pump, achieving flux rates of up to 20 880 and 12 184 L m?2 h?1, respectively. Weather resistance tests of O-Ph-POSS-FG@Sponge, prepared at intervals of 1 week and 1 year, showed that aged samples retained similar WCA values to freshly prepared sponges, confirming their long-term durability and performance. Mechanical stability assessments indicated that O-Ph-POSS-FG@Sponge maintained superhydrophobic properties, with WCA values of 151 2 for tape peeling and emery paper treatments and 150 2 for knife cutting, highlighting its excellent stability under physical deformation. Additionally, leveraging the exceptional resistance of O-Ph-POSS, the superhydrophobic O-Ph-POSS-FG@Sponge exhibited excellent stability and durability, even under supercooled and hot conditions during oil/water separation. Optical microscopy analysis of O/W and W/O emulsions, both stabilized by a surfactant, revealed complete droplet separation, further confirming the O-Ph-POSS-FG@Sponge's effectiveness for emulsion separation applications. The present work provides a straightforward method for the large-scale production of robust, superhydrophobic materials suitable for cleaning up oil spills on water surfaces. 2025 The Royal Society of Chemistry. -
In vitro Analytical Techniques as Screening Tools to investigate the Metal chelate-DNA interactions
Deoxyribose nucleic acid (DNA) is found to be the most efficient pharmacological target of many synthetic molecules which are deemed as potential drugs with clinical applications. DNA binding agents are known to regulate several cell functions (gene expression and replication) by adopting various protocols which include the annihilation of the cell membrane, interruption in protein synthesis, and irreversible binding to cell receptors. Recently, several studies have explored fundamental aspects of drug-DNA interactions, providing new insights into the driving forces that render the formation of the drug-DNA complex. In order to study and understand these biologically important reaction mechanisms, several screening tools have been devised and the specificity of drug molecules binding to DNA were studied in detail. This review will discuss the utilization of various analytical tools which include UV-vis spectroscopy, fluorescence spectroscopy, circular dichroism, viscosity measurement, Raman spectroscopy, cyclic voltammetry, and DNA fragmentation assay used for studying drug binding mode and the mechanism involved. 2023 Wiley-VCH GmbH. -
In Vitro Cytotoxic Potential and Integrated Network Pharmacology, Molecular Docking and Molecular Dynamic Approaches to Decipher the Mechanism of Gymnostachyum febrifugum Benth., in the Treatment of Breast Cancer
Gymnostachyum febrifugum, a less-known ethnomedicinal plant from the Western Ghats of India, is used to treat various diseases and serves as an antioxidant and antibacterial herb. The present study aims to profile the cytotoxic phytochemicals in G. febrifugum roots using GCMS/MS, in vitro confirmation of cytotoxic potential against breast cancer and an in silico study to understand the mechanism of action. Phytochemical profiling using GCMS/MS showed the presence of eight cytotoxic molecules with lupeol in high abundance. A potent cytotoxic effect of G. febrifugum roots against breast cancer was also observed with antiproliferation, antimigration, inhibition in colony formation and death of breast cancer cells. Further, the cytotoxic potential of the plant was confirmed with the apoptosis of cells as observed in the flow cytometry. In silico network pharmacology, GO and KEGG analysis suggested the modulation of proteins of MAPK, PI3K-AKT and apoptosis pathways by lupeol to induce cytotoxicity in breast cancer. Further, dynamic simulation revealed MAPK and AKT as the major targets for lupeol. Our studies comprehensively elucidated the role of lupeol, a major phytochemical in G. febrifugum to induce cytotoxicity against breast cancer by targeting major cancer signaling pathways, providing a promising strategy and scientific basis to explore lupeol in targeted cancer therapy. The Author(s), under exclusive licence to Springer Science+Business Media, LLC, part of Springer Nature 2025. -
In vitro cytotoxicity studies of Ga2O3 microstructures on L929 and MCF-7 cell lines using MTT assay
Considering the therapeutic promise of gallium, its compounds are currently undergoing preclinical and clinical development in different phases. In this work, Ga2O3 microstructures were synthesized using hydrothermal methods followed by calcination at (Formula presented.). For structural and morphological analysis, x-ray diffraction spectrum and field emission scanning electron microscopy images were used. In vitro cytotoxicity and in vitro anticancer effects of the sample were determined by cell culture imaging and MTT assay method. The studies were carried out on L929 and MCF-7 cell lines. The present study reveals the possibility of extending Ga2O3 for anticancer drug applications. The Author(s), under exclusive licence to The Materials Research Society 2024. -
In vitro production of bacosides from Bacopa monnieri
Bacopa monnieri (L.) Wettst. (Plantaginaceae) is an important Ayurvedic medicinal herb commonly known as brahmi, growing in the region of Indian subcontinent. Bacosides are the major chemical component having the major role in the biological and pharmacological field. Bacopa cultivation is time-consuming, requires labor team, and needs great efforts to maintain the quality of bacosides as growths are affected by environmental factors such as soil, water, temperature, climate, pests, and pathogens. To solve these problems, organ and cell cultures have been adopted for swift and efficient production of Bacopa biomass and bacosides. In the current chapter, various parameters, such as types of media, media composition, elicitors, salinity, drought, types of vessels used, and effect of heavy metals, were investigated against the in vitro production of bacosides from Bacopa monnieri. Springer Nature Singapore Pte Ltd. 2018. -
In Vitro Production of Bioactive Compounds from Plant Cell Culture
Secondary metabolites (SMs) are bioactive compounds widely used in various industries as pharmaceutical agents and food additives and serve as precursor substances for the synthesis of commercially important products. These natural bioactive metabolites are quickly replacing chemicals as efficient coloring, flavoring, texturizing, and preservative agents. Productions of these SMs are hampered due to physiological and technological parameters. Although SMs do not have any significant role in the growth and development of the organisms where they are found, they have commercial importance. Humankind has harnessed its application in every walk of their life. In the medical field, SMs are used as antibiotics, antifungal, antiviral, metabolic inhibitors, anticancer agents, and many more. The biological and pharmacological benefits of medicinal plants are attributed to SM produced by subsidiary pathways that are highly specific to target molecules. Most pharmaceuticals are either directly or indirectly derived from plant sources. Production of SMs from field plants suffers from various limitations like seasonal production, choosing specific plant organs for specific metabolites, low yield, cost of purification, and seasonal variations. Biotechnological approaches such as plant cell, tissue, and organ cultures are the best alternative methods for commercial production. The current chapter focuses on establishment of plant cell culture system for the production of SMs, strategies to improve biomass yield and metabolite content, and biosynthetic pathways. The chapter also emphasizes elicitation strategies, application of CRISPR Cas9 in metabolite synthesis, large-scale production, and commercial aspects of SMs. The Editor(s) (if applicable) and The Author(s), under exclusive license to Springer Nature Singapore Pte Ltd. 2022. -
In Vitro Production of Saponins
Plants have been utilized as food, feed, and fodder since the dawn of civilization. Plants are also thought to be a rich source of bioactive compounds with a variety of pharmacological actions. Saponins are one such group of molecules which are present in various plant species. As triterpenoid glycosides, they have a 30C oxidosqualene precursor aglycone moiety (sapogenin), which is then linked with glycosyl residues to form saponin. These saponins have a unique platform in the field of pharmaceutical and nutraceutical industries. Saponins are used for the treatment of various diseases which include cancer, diabetic, cardiac, hepatic, and nervous disorders. The production of saponins through conventional approaches is time-consuming and hard to extract pure compounds, and thus to achieve this, in vitro methods have been developed and enhanced the production and extraction of the metabolites. The present chapter focuses on the in vitro production of saponins through various tissue culture techniques such as shoot, callus, cell suspension, adventitious root, hairy root culture, and applications of bioreactors at commercial level. The chapter also focuses on biosynthetic pathway, extraction methods, and biological activities of saponins. The Editor(s) (if applicable) and The Author(s), under exclusive license to Springer Nature Singapore Pte Ltd. 2022. -
In Vitro Production of Tocopherols
Tocopherols are an essential dietary nutrient for mammals and photosynthetic products produced by green plants. Tocopherols commonly referred to as vitamin E exist in four forms (?-, ?-, ?-, and ?-tocopherol). Synthetic ?-tocopherol is a mixture of eight racemic forms and is less effective than natural tocopherol, thus the demand for plant-derived tocopherols is high. Tocopherols are lipophilic antioxidant and extensively used as therapeutic agents such as anti-inflammatory, anti-infection, anticancer, immune-stimulant, and nephro-protectant. They are also used as food additives and nutraceuticals. Plant cell and tissue culture is one of the promising techniques for mass production of tocopherols to meet the commercial demand. Optimizing physical and chemical factors for in vitro culture system has resulted in better accumulation of the product. Moreover, using bioreactors, precursor feeding, elicitation, biotransformation, and metabolic engineering approaches have resulted in enhanced yield of tocopherols from in vitro cultures. The present chapter deals with various important aspects of tocopherol in vitro production such as biosynthesis of tocopherol with special emphasis on key enzymes involved in the pathway whose modulation in expression can increase the yield of the product. Topics discussed include production of tocopherol from callus, cell and organ culture, metabolic engineering for mass production, different methods employed for extraction and quantification of tocopherols, and their biological activities and commercial applications. The Editor(s) (if applicable) and The Author(s), under exclusive license to Springer Nature Singapore Pte Ltd. 2022. -
In vitro propagation and secondary metabolite production from Withania Somnifera (L.) dunal
Withania somnifera (L.) Dunal, commonly known as ashwagandha or Indian ginseng, is an important medicinal plant that belongs to the family Solanaceae. Ashwagandha has been used from time immemorial in different systems of medicine and extensively used in the Indian system of medicine, and there is discussion of this plant in different ayurvedic scripts like Charaka samhita, Ashtanga sangraha, etc. The plant is extensively used for anti-aging and general well-being, and also has anti-cancer potential. Ashwagandha is also known for its antioxidant, anti-inflammatory, and other therapeutic activities. In the recent days of Covid-19, the plant has been extensively used as an immunostimulant. The plant has great potential for its raw materials, especially for the extraction of bioactive molecules like withanolide-A, withaferin-A, withasomniferin, withanone, etc. The conventional mode of propagation could not meet the required commercial demand for either the pharmaceutical industries or the traditional practitioners. The conventional method of obtaining biomass is influenced by a large number of environmental factors, where biomass quality and quantity of bioactive molecules have shown variation. To overcome this, biotechnological approaches such as plant tissue culture techniques have been established for large-scale cultivation using micropropagation and also other techniques like a callus and cell suspension culture, shoot culture, adventitious root culture, and hairy root culture have been extensively used for in vitro production of bioactive molecules from ashwagandha. With the advent of metabolic engineering, biosynthetic pathway editing has made it possible to obtain higher yields of desired metabolites. The present chapter focuses on the in vitro propagation, biosynthesis of withanolides, and tissue culture strategies for obtaining high biomass and metabolites. The chapter also focuses on different elicitation strategies, metabolic engineering approaches, and the development of elite germplasms for improved metabolite content. The chapter also identifies research lacunas that need to be addressed for the sustainable production of important bioactive molecules from ashwagandha. 2024 Bentham Science Publishers. All rights reserved. -
In vitro storage under slow growth, plant regeneration, and ex vitro acclimatization of Ligusticum officinale (Makino) Kitag
Ligusticum officinale is an important medicinal plant belonging to Apiaceae. It does not set seeds and is propagated by rhizome division. However, its sensitivity to high summer temperatures makes field cultivation and genetic resource conservation challenging. To conserve L. officinale germplasm, we employed an in vitro slow-growth storage (SGS) method. Shoot cultures of L. officinale were established on Murashige and Skoog medium supplemented with 1.0 mg/L benzyl adenine, 30 g/L sucrose, and 2.4 g/L gelrite. Cultures were kept for one, three, five, and seven months. The effects of storage temperatures of 25 C (control) versus 15 C, medium supplementation with or without mannitol (3%), and abscisic acid (ABA), 0.5 mg/L, were examined. At the conclusion of the conservation period, survival was measured right away. Four weeks later, the shoot proliferation medium was used to measure the regrowth rate and recovery features. Subsequently, the regenerated shoots were transferred to MS medium supplemented with 1.0 mg/L indole-3-butyric acid for rooting of shoots for 4 weeks. The findings showed that even after seven months, shoot cultures kept at 15 C with medium supplemented with 3% mannitol and 0.5 mg/L ABA maintained a good survival rate of 83.3%. When compared to the control, most growth indices, including shoot length, fresh weight, number of shoots, and number of leaves, were significantly suppressed by mannitol and ABA combined treatment. A regrowth rate of 71% was achieved after transfer to proliferation medium. All the shoots that were cultured on rooting medium involved in rooting and plantlets were successfully acclimatized in controlled conditions. 2026 SAAB. Published by Elsevier B.V. All rights are reserved, including those for text and data mining, AI training, and similar technologies. -
In vivo, in vitro and in silico screening of a potent Angiotensin Converting Enzyme (ACE) inhibitor from Trigonella foenum-graecum extract using Zebrafish as a model organism to reduce hypertension
The number of patients suffering from hypertension is on the rise worldwide and there is a need to explore natural products which can supplement current drugs to treat this disease. RAAS (Renin Angiotensin Aldosterone System) is one of the factors maintaining blood pressure. In the present investigation, we explored the potential of methanolic extract of fenugreek seeds in inhibiting Angiotensin Converting Enzyme (ACE), a key enzyme in the RAAS system, thereby reducing hypertension. In addition to in vivo studies conducted on zebrafish, in vitro and in silico studies were also performed to assess the inhibitory effect of the fenugreek extract on ACE. The bioactive components in Trigonella foenum-graecum revealed by GC-MS were further subjected to docking and binding studies with the receptor protein ACE. Of the various phytochemicals studied, arachidonic acid exhibited the maximum inhibitory effect on ACE. Thus, the present investigation was able to favorably screen a potent ACE inhibitor in Trigonella foenum-graecum extract which shows a potential to be used alone or supplemented with synthetic ACE inhibitors to treat high blood pressure. Further investigations are required to quantify the phytochemical for its inhibitory activity and also to understand the mechanism of inhibition of the enzyme. 2020 World Research Association. All rights reserved. -
In-Depth Review of Microeconomic Analysis of Business Tourist Spending
Most prior research used tourist arrivals to examine international tourism demand. However, tourist arrival is not an accurate factor to determine international tourism demand as it does not show the actual spending pattern of tourists which includes goods and services purchased. Literature has proven that business tourists always spend more than leisure tourists; thus, tourist expenditure is an essential measure of international tourism demand. For the current research, we summarised 31 studies to review several variables that could affect tourism demand and expenditure. The current research concludes that microeconomic modelling should be the focus and given priority for studying tourism demand and the factors that affect business tourist expenditure. The Author(s) 2018. -
In-phase, out-of-phase, bottom-wall two-frequency boundary temperature modulations on the onset of Rayleigh-Bard convection
The onset of convection in a Newtonian liquid-containing system is investigated using a two-frequency boundary temperature. The consequences of three types of two-frequency boundary temperature modulations have been thoroughly investigated: (i) in-phase, (ii) out-of-phase, and(iii) bottom-wall. The combined effect of two frequencies with sinusoidal and nonsinusoidal wave types is also documented under these various types of boundary temperature modulations. To facilitate the study, the Venezian method is approvedand the critical Rayleigh number and its correction are calculated. The parameters resulting from the study's two frequencies of modulation are the mixing angle, (Formula presented.), the amplitudes, (Formula presented.), and the set of coprime integers, (Formula presented.). The system's thermodynamics determines the range of these parameters. The research discovered that out-of-phase two-frequency boundary temperature modulation is the most stable, while in-phase is the least stable. Besides that, any combination of wave type with square wave type yields the most excellent stability. Furthermore, the two-frequency boundary temperature modulation is more stable than the single-frequency and no-modulation cases. 2022 Wiley Periodicals LLC. -
In-plant production of bricks containing waste foundry sandA study with Belgaum foundry industry
The main objective of this study is to utilize waste foundry sand (WFS) from Belgaum foundry industry in manufacturing of bricks. The process involved production of bricks in a fully functioning brick manufacturing plant, which has a production capacity of approximately 50000 bricks per month. The entire process of combining clay-sand mixtures, forming of bricks, drying and firing was done with local conditions. With minimum process it was possible to introduce upto 50% WFS in clay bodies to produce bricks of desirable properties. The minimum average wet compression resistance of 3.3 Mpa, and maximum average water absorption of 21.6% was obtained for bricks containing 50% WFS, when fired at 900 C. There was insignificant difference in apparent porosity, water absorption, and specific gravity of bricks containing WFS, when compared to commercial bricks. The addition of WFS reduced the bulk density of the bricks, which has also caused reduction in compressive strength. WFS bricks can be classified as class III bricks, based on recommendations of IS 1077 standard specification. These bricks can be used in single storied load bearing structures, and also in the construction of infill walls in multi-storied framed structures. The structure, composition, and morphology of the raw materials, as well as bricks were studied by XRD, XPS, and SEM, respectively. 2018 The Authors -
In-silico analysis of the mechanism of action ofNerium oleanderbioactive compounds againstHelicoverpa armigera
Helicoverpa armigera is one of the most destructive agricultural pests worldwide, noted for its wide host range, high fecundity, and rapid development of resistance to synthetic insecticides. To address this threat, sustainable botanical alternatives are urgently needed. In this study, Nerium oleander, a toxic ornamental plant rich in secondary metabolites, was evaluated as a potential botanical insecticide through in silico assays. Methanolic extracts were subjected to phytochemical screening, confirming the presence of alkaloids, saponins, cardiac glycosides, coumarins, and terpenoids. Gas Chromatography-Mass Spectrometry (GC-MS) profiling identified 20 major compounds, including terpenoids, fatty acids, sterols, and phenolics, with 2-methoxy-4-vinylphenol (2.7 %), neophytadiene (1.7 %), and phytol (0.9 %) among the key constituents. Cytochrome P450, a central detoxification enzyme in insects, was chosen as the molecular target. Docking analysis revealed strong binding affinities, with phytol (?6.92 kcal/mol, Ki 8.12 ?M), neophytadiene (?6.43 kcal/mol, Ki 14.57 ?M), and 2-methoxy-4-vinylphenol (?5.87 kcal/mol, Ki 45.13 ?M) demonstrating significant inhibitory potential. These findings indicate that N. oleander metabolites may disrupt detoxification pathways in H. armigera, providing a mechanistic basis for their insecticidal action and supporting the plant's promise as a candidate for integrated pest management. 2025 The Authors. Publishing services by Elsevier B.V. on behalf of KeAi Communications Co. LtdThis is an open access article under the CC BY license. http://creativecommons.org/licenses/by/4.0/ -
In-vitro antioxidant analysis of Aristolochia indica, Ipomoea obscura, Tylophora indica, Glinus oppositifolius and Abroma augustum from Bankura district, West Bengal
Five therapeutic plants that have been utilized traditionally across the Sonamukhi Block of Bankura District, West Bengal, were tested for antioxidant activity using three assays: ABTS radical scavenging activity, FRAP reduction power, and DPPH free radical scavenging. According to the DPPH assay, Glinus oppositifolius (68.4%) and Ipomoea obscura (23.83%) showed moderate radical-scavenging activity, whereas Aristolochia indica (73.07%), Abroma augustum (52.87%), and Tylophora indica (25%) demonstrated the highest levels. While Glinus oppositifolius (0.685) and Ipomoea obscura (0.401) showed moderate activity in the FRAP assay, Abroma augustum (0.459), Tylophora indica (0.637), and Aristolochia indica (0.545) demonstrated significant reducing power. According to the ABTS assay, Aristolochia indica (90.37%) and Glinus oppositifolius (98.7%) had the highest levels of radical scavenging activity. These findings support the traditional medical usage of these plants, especially Glinus oppositifolius and Aristolochia indica, which showed the most antioxidant qualities. The results highlight the importance of these plants in traditional medicine, shed light on their therapeutic potential, and lay the groundwork for further research on natural antioxidant treatments. Authors CC4-NC-ND, ScienceIN. -
In-Vitro Investigation of the ?-Amylase Inhibition Activity of Bare Bis-Benzylidene-Cyclohexanone Synthesized by a Highly Selective Solvent-Free Route
Current work reports the highly selective, solvent-free synthesis of an endorsed bioactive compound, Bis benzylidine cyclohexanone (BBC) through solid acid catalysed cross aldol condensation route and checks its in-vitro bio activity. The catalytic support (Multiwalled carbon nanotube) employed was synthesized through the highly sophisticated catalytic chemical vapor deposition (CVD) method and simple mechanical grinding strategy was adopted to decorate sulfonic acid on the support. The C1s X-ray photoelectron peak of at 290.3 eV confirms the effective interaction of sulfonic acid with MWCNT. The sharp and intense desorption peaks observed at approximately 528.7 C and 655.15 C in the TPD analysis unmistakably substantiate the strong acidity of the synthesized system. The alpha amylase inhibition activity of the synthesized compound was calculated to be around 88.5 %, which is in par with the commercial drug as it could inhibit only 96 %. Further, the in-silico (Docking and Molecular Dynamic Simulation) investigations unveiled a new target site for the compound and this can further be studied in detail to advance the applications in drug design. Detailed scrutiny of various parameters was conducted to validate the bioactivity and pharmaceutical potential of the synthesized compound. 2023 Wiley-VCH GmbH. -
Inclined magnetic field and nanoparticle aggregation effects on thermal Marangoni convection in nanoliquid: A sensitivity analysis
The heat transfer rate of thermal Marangoni convection in ethylene glycol-based titanium nanoliquid is analyzed by using the Response Surface Methodology (RSM). Two different heat sources (i.e. the temperature-related heat source (THS) and the space-related exponential heat source (ESHS)) are included in the thermal analysis. Aggregation of nanoparticles and inclined magnetism are also considered. The modified Krieger-Dougherty model and the modified Maxwell-Bruggeman model are used to analyze the aggregation aspect of the nanoparticles. The resulting nonlinear system is treated numerically by using the finite difference method. The sensitivity of the heat transfer rate to the thermal radiation parameter, the ESHS parameter, and the THS parameter is examined by using the RSM model. The individual impact of the actual parameters on various flow fields is compared and visualized by graphs. The heat transfer rate is positively sensitive to thermal radiation and negatively sensitive to the parameters of the heat source. Besides, the ESHS aspect has a greater impact on the heat transfer rate than the THS aspect. The velocity flow field is decelerated significantly (5.31%near the interface) by the magnetic field inclination angle. 2020 The Physical Society of the Republic of China (Taiwan)