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2.
Chemosphere ; 313: 137310, 2023 Feb.
Artigo em Inglês | MEDLINE | ID: mdl-36460155

RESUMO

Phycoremediation of heavy metals are gaining much attention and becoming an emerging practice for the metal removal in diverse environmental matrices. Still, the physicochemical state of metal polluted sites is often found to be complex and haphazard in nature due to the irregular discharge of wastes, that leads to the lack of conjecture on the application of microalgae for the metal bioremediation. Besides, the foresaid issues might be eventually ended up with futile effect to the polluted site. Therefore, this review is mainly focusing on interpretative assessment on pre-existing microalgal strategies and their merits and demerits for selected metal removal by microalgae through various process such as natural attenuation, nutritional amendment, chemical pretreatment, metal specific modification, immobilization and amalgamation, customization of genetic elements and integrative remediation approaches. Thus, this review provides the ideal knowledge for choosing an efficient metal remediation tactics based on the state of polluted environment. Also, this in-depth description would provide the speculative knowledge of counteractive action required for pass-over the barriers and obstacles during implementation. In addition, the most common metal removal mechanism of microalgae by adsorption was comparatively investigated with different metals through the principal component analysis by grouping various factor such as pH, temperature, initial metal concentration, adsorption capacity, removal efficiency, contact time in different microalgae. Conclusively, the suitable strategies for different heavy metals removal and addressing the complications along with their solution is comprehensively deliberated for metal removal mechanism in microalgae.


Assuntos
Metais Pesados , Microalgas , Biodegradação Ambiental
3.
Environ Sci Pollut Res Int ; 30(6): 14265-14283, 2023 Feb.
Artigo em Inglês | MEDLINE | ID: mdl-36149551

RESUMO

In the present study, biomass from the Chromolaena odorata plant's stem was activated using sulfuric acid to adsorb crystal violet (CV) dye. The adsorption operation of CV dye was studied considering the effect of variables like pH, initial dye concentration, time, adsorbent dosage, and temperature. The pseudo-second-order equation best fitted the kinetic study. The thermodynamic parameters such as activation energy (9.56 kJ/mol), change in Gibbs energy (81.43 to 96.7 kJ/mol), enthalpy change (6.89 kJ/mol), and entropy change (-254.4 J/mol K) were calculated. Response surface methodology estimated that at pH (4.902), adsorbent dosage (8.33 g/L), dye concentration (82.30 ppm), and temperature (300.13 K) dye removal of 97.53% is possible. FTIR, SEM, XRD, BJH, and BET confirmed adsorption operation. The adsorbent can be reused for 3 cycles effectively. Langmuir isotherm which best fitted the adsorption operation was used for designing a theoretical single-stage batch adsorber for large-scale operation.


Assuntos
Chromolaena , Poluentes Químicos da Água , Violeta Genciana/química , Biomassa , Termodinâmica , Temperatura , Cinética , Adsorção , Água , Concentração de Íons de Hidrogênio
4.
Mol Divers ; 26(6): 3205-3224, 2022 Dec.
Artigo em Inglês | MEDLINE | ID: mdl-35152367

RESUMO

Over the past year, owing to the emergent demand for the search for potential COVID-19 therapeutics, identifying alternative candidates from biological sources is one of the sustainable ways to reinforce the drug discovery process. Marine macroalgae have numerous advantages because of the richest availability of underexploited bioactive compounds. Polyphenolic compounds like phlorotannins obtained from brown macroalgae are reported as proven antiviral and immunostimulatory agents. Thus, the present study evaluated the possibility of phlorotannins as antagonists to the multiple target proteins essential for SARS-CoV-2 replication. Twenty different types of potent phlorotannins were targeted against druggable target proteins, viz., 3CLpro, RdRp, and Spro using AutoDock molecular docking, drug-likeness were assessed by ADMET profiling (QikProp module). Further, validated with 200 ns molecular dynamics (MD) simulation (Desmond module) for the top-ranked phlorotannins based on docking binding affinities. Among the twenty phlorotannins studied, eckol hexacetate, phlorofucofuroeckol, fucofuroeckol, and bifuhalol-hexacetate showed significant binding affinities across the selected targets. Besides, MD simulations highlighted Glu166, Gln189, Cys145, and Thr190 tetrad as potential interaction sites to inhibit 3CLpro's activity. Moreover, phlorotannins were confirmed to be druglike, with no major deviation observed in ADMET-profiling. Hence, phlorotannins could be therapeutic candidates against SARS-CoV-2. However, further investigations are needed to prove its efficacy as an antiviral agent. Conclusively, this study may envisage that the novel finding could notably impact the advancement of antiviral interventions for COVID-19 in the near future.


Assuntos
Tratamento Farmacológico da COVID-19 , SARS-CoV-2 , Humanos , Simulação de Acoplamento Molecular , Antivirais/farmacologia , Antivirais/química , Simulação de Dinâmica Molecular , Inibidores de Proteases/química
5.
Chemosphere ; 292: 133485, 2022 Apr.
Artigo em Inglês | MEDLINE | ID: mdl-34979211

RESUMO

Marine macroalgae offer an endurable source of renewable biomass, which do not require cultivable area, fertilizers for cultivation for bioproducts production. In this study, marine brown macroalga Padina tetrastromatica as an alternate sustainable feedstock for the production of liquid fuels. Padina tetrastromatica biomass was collected from Mandapam; the coastal region of Rameswaram, Tamil Nadu, India. and the algal oil was extracted using sequential extractions using various solvents. Petroleum ether (PE) and dichloromethane (DCM) solvent fractions were found to have high lipids and further utilized for biodiesel production, wherein four different heterogeneous nanocatalysts (TiO2, Bio-Fe, GO, and MgO) and commercial homogeneous catalysts (HCl and NaOH) were employed for the transesterification. High fatty acid methyl ester (FAME) recovery (92.3%) was achieved from TiO2 mediated transesterification than the other conventional catalysts. Further, the conversion of algal biomass into bio-oil and by-products was carried out using hydrothermal liquefaction (HTL). Subsequently, the compounds were characterized by FT-IR and GC-MS analysis. The quality parameters of liquid biofuels were examined and they are in accordance with the international fuel standards. Thus, brown macroalga Padina tetrastromatica may be considered as an alternate feedstock for biofuel and other bioproducts production and TiO2 would be a suitable catalyst for the conversion of FAME.


Assuntos
Biocombustíveis , Alga Marinha , Biomassa , Ácidos Graxos , Índia , Óleos de Plantas , Polifenóis , Espectroscopia de Infravermelho com Transformada de Fourier , Temperatura , Água
6.
J Biomol Struct Dyn ; 40(19): 8961-8988, 2022.
Artigo em Inglês | MEDLINE | ID: mdl-34014150

RESUMO

The COVID-19 pandemic has severely destructed human life worldwide, with no suitable treatment until now. SARS-CoV-2 virus is unprecedented, resistance against number of therapeutics and spreading rapidly with high mortality, which warrants the need to discover new effective drugs to combat this situation. This current study is undertaken to explore the antiviral potential of marine algal compounds to inhibit the viral entry and its multiplication using computational analysis. Among the proven drug discovery targets of SARS-CoV-2, spike glycoprotein and 3-chymotrypsin-like protease are responsible for the virus attachment and viral genome replication in the host cell. In this study, the above-mentioned drug targets were docked with marine algal compounds (sulfated polysaccharides, polysaccharide derivatives and polyphenols) using molecular docking tools (AutoDockTools). The obtained results indicate that κ-carrageenan, laminarin, eckol, trifucol and ß-D-galactose are the top-ranking compounds showing better docking scores with SARS-CoV-2 targets, than the current experimental COVID-19 antiviral drugs like dexamethasone, remdesivir, favipiravir and MIV-150. Further, molecular dynamic simulation, ADMET and density functional theory calculations were evaluated to substantiate the findings. To the best of our knowledge, this is the first report on in silico analysis of aforesaid algal metabolites against SARS-CoV-2 targets. This study concludes that these metabolites can be curative for COVID-19 in the hour of need after further validations in in vitro and in vivo testings.Communicated by Ramaswamy H. Sarma.


Assuntos
COVID-19 , SARS-CoV-2 , Humanos , Glicoproteína da Espícula de Coronavírus/farmacologia , Pandemias , Simulação de Acoplamento Molecular , Peptídeo Hidrolases , Antivirais/farmacologia , Descoberta de Drogas , Simulação de Dinâmica Molecular , Glicoproteínas , Inibidores de Proteases/farmacologia
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