Transdermal anti-inflammatory effects and mechanisms of hydrogel patches containing seco-iridoids from Gentiana macrophylla Pall

Fitoterapia, Год журнала: 2025, Номер 183, С. 106544 - 106544

Опубликована: Апрель 15, 2025

Язык: Английский

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Molecular Level Non‐Covalent Interactions Between Celecoxib and Valdecoxib and Some Common Polar Solvents

Advanced Theory and Simulations, Год журнала: 2025, Номер unknown

Опубликована: Апрель 24, 2025

Abstract Celecoxib (CB) and Valdecoxib (VB) are two NSAIDs that belong to the category of anti‐inflammatory drugs. They selectively inhibit cyclooxygenase‐2 enzyme hence used treat several symptoms rheumatoid osteoarthritis. The current study focuses on investigating interaction these drugs with some randomly selected polar solvents explicitly. Using M06‐2x/aug‐cc‐pVDZ level theory DFT, 12 complexes optimized in gas phase their intermolecular studies proceed. After evaluation binding energy, frontier molecular orbital analysis, natural bond analysis carried out get an idea charge localization behavior complexes. Theoretical tools like atom molecule (AIM), reduced density gradient (NCI‐RDG), independent model based Hirshfeld partition (IGMH), region indicator (IRI), core‐valence bifurcation (CVB) index identify sites (hydrogen bond) strength. EDA gave how energy is disseminated into various components. All results obtained show both effectively interact DMSO.

Язык: Английский

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Tailored quinoline hybrids as promising COX-2/15-LOX dual inhibitors endowed with diverse safety profile: Design, synthesis, SAR, and histopathological study

Bioorganic Chemistry, Год журнала: 2024, Номер 145, С. 107244 - 107244

Опубликована: Фев. 27, 2024

Язык: Английский

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Efficient removal of diclofenac sodium from aqueous environments by magnetic ionic covalent organic frameworks based on polydopamine: Adsorption performance and mechanism study

Separation and Purification Technology, Год журнала: 2024, Номер 354, С. 129020 - 129020

Опубликована: Авг. 2, 2024

Язык: Английский

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From construction strategies to applications: Multifunctional defective metal-organic frameworks

Coordination Chemistry Reviews, Год журнала: 2024, Номер 526, С. 216356 - 216356

Опубликована: Дек. 9, 2024

Язык: Английский

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Insights in Pharmaceutical Pollution: The Prospective Role of eDNA Metabarcoding

Toxics, Год журнала: 2023, Номер 11(11), С. 903 - 903

Опубликована: Ноя. 5, 2023

Environmental pollution is a growing threat to natural ecosystems and one of the world’s most pressing concerns. The increasing worldwide use pharmaceuticals has elevated their status as significant emerging contaminants. Pharmaceuticals enter aquatic environments through multiple pathways related anthropogenic activity. Their high consumption, insufficient waste treatment, incapacity organisms completely metabolize them contribute accumulation in environments, posing all life forms. Various analytical methods have been used quantify pharmaceuticals. Biotechnology advancements based on next-generation sequencing (NGS) techniques, like eDNA metabarcoding, enabled development new for assessing monitoring ecotoxicological effects metabarcoding valuable biomonitoring tool pharmaceutical because it (a) provides an efficient method assess predict status, (b) identifies sources, (c) tracks changes levels over time, (d) assesses ecological impact pollution, (e) helps prioritize cleanup mitigation efforts, (f) offers insights into diversity composition microbial other bioindicator communities. This review highlights issue while emphasizing importance using modern NGS-based actions its environmental more consistently effectively.

Язык: Английский

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Mixed (organic and inorganic) contaminants removal ability of water fern biomass-based biochar on starch industry wastewater

Biomass Conversion and Biorefinery, Год журнала: 2024, Номер unknown

Опубликована: Апрель 12, 2024

Язык: Английский

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Experimental and theoretical studies of pyrazole-4-carbaldehyde derivatives by X-ray crystallography, DFT, molecular docking, and molecular dynamics simulation

Journal of Molecular Structure, Год журнала: 2024, Номер 1321, С. 139796 - 139796

Опубликована: Авг. 26, 2024

Язык: Английский

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Adsorptive removal of naproxen onto nano magnesium oxide‐modified castor wood biochar: Treatment of pharmaceutical wastewater via sequential Fenton's‐adsorption process

IUBMB Life, Год журнала: 2024, Номер unknown

Опубликована: Сен. 16, 2024

Abstract This current investigation explored the thermal conversion process of castor wood into biochar, which was subsequently harnessed for removing naproxen from pharmaceutical industrial effluent via adsorption. Surface composition analyses conducted through scanning electron microscopy–energy dispersive X‐ray, laser‐induced breakdown spectroscopy, and Fourier‐transform infrared studies unveiled presence nano MgO particles within adsorbent material. Employing optimization techniques such as response surface methodology facilitated a refined approach to batch study. The optimized conditions sodium (NPX) adsorption on nano‐MgO‐modified biochar were identified pH 4, 1.5 g/L dosage, 120‐min contact time maintaining constant NPX concentration 10 mg/L. capacity calculated be 123.34 mg/g nano‐magnesium oxide‐modified (modified biochar) 99.874 pristine (pristine biochar). Fenton's reagents comprising 15 mM FeSO 4 (7H 2 O) 25 H O have been scrutinized under 3.0, reaction 30 min, temperature 30°C, stirring at 120 rpm, followed by treatment. COD, NH 3 –N, NO − , PO 3− removal percentages found 90%, 87%, 79%, 80%, respectively. Thus MgO‐modified holds promise treatment effluent.

Язык: Английский

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CuFeS2/activated carbon heterostructure as a microwave-responsive catalyst for reductive and oxidative degradation of ibuprofen, ketoprofen, and diclofenac

Chemical Engineering Journal, Год журнала: 2023, Номер 480, С. 148060 - 148060

Опубликована: Дек. 14, 2023

Язык: Английский

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