Toxicity Profile, Phytochemical Composition, and Anti-scaling Properties of the Aqueous Extract of Ocimum basilicum L. Leaves as Novel Green and Cost-Effective Inhibitor: Experimental, MC/SAA and DFT Approach

housse, Mohamed El; Hadfi, Abdallah; Karmal, Ilham; Ibrahimi, Brahim El; Jalal, Mariam; Ben-Aazza, Said; Errami, M.; Belattar, M’barek; Khrach, Said; Iberache, Noureddine; Driouiche, Ali

doi:10.1007/s12649-023-02066-y

Cited by 7 publications

(4 citation statements)

References 90 publications

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“…In summary, we designed cobalt-doped graphitic carbon nitride catalysts via two reduction methods using NaBH 4 (liquid phase) and H 2 (gas phase). At first, the g-C 3 N 4 structure was confirmed by using several characterization methods including XPS, 13 C NMR and TGA. Further, the crystalline phases and the structural properties of cobalt doped g-C 3 N 4 (CoCN-x) were assessed with XRD, FTIR, SEM-EDS, and TEM analyses.…”

Section: Discussionmentioning

confidence: 99%

“…The g-C 3 N 4 surface chemical analysis was performed by X-ray photoelectron spectroscopy (XPS) (VG SCIENTA, SES-200). The solid-state 13 C NMR spectrum of g-C 3 N 4 was acquired utilizing the method of cross-polarization magic angle spinning (CP-MAS). The experiments were conducted at room temperature with a 4-mm MAS probe in a Bruker Avance III-600.…”

Section: Materials Advances Papermentioning

confidence: 99%

“…5.1.3. 13 C NMR analyses. The 13 C NMR spectrum of g-C 3 N 4 obtained using the CP/MAS method has been previously published elsewhere 43 by our co-workers.…”

Section: Papermentioning

confidence: 99%

“…[4][5][6][7][8] In the last few years, numerous scientific papers have been published with the aim of finding solutions to this environmental contamination problem. [9][10][11][12][13][14][15][16] Despite this vast scientific production, researchers in the field are still not satisfied with the results. 17,18 Further, several solutions were proposed aiming to improve either the process or the material used in the polluted water treatment.…”

Section: Introductionmentioning

confidence: 99%

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Novel chemically reduced cobalt-doped g-C₃N₄ (CoCN-x) as a highly heterogeneous catalyst for the super-degradation of organic dyes via peroxymonosulfate activation

Ben Hamou,

Enneiymy,

Farsad

et al. 2024

Mater. Adv.

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Section: Discussionmentioning

confidence: 99%

Section: Materials Advances Papermentioning

confidence: 99%

“…5.1.3. 13 C NMR analyses. The 13 C NMR spectrum of g-C 3 N 4 obtained using the CP/MAS method has been previously published elsewhere 43 by our co-workers.…”

Section: Papermentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

See 2 more Smart Citations

Novel chemically reduced cobalt-doped g-C₃N₄ (CoCN-x) as a highly heterogeneous catalyst for the super-degradation of organic dyes via peroxymonosulfate activation

Ben Hamou,

Enneiymy,

Farsad

et al. 2024

Mater. Adv.

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Exploring of Chemical Profile and Biological Activities of Three Ocimum Species From Comoros Islands: A Combination of In Vitro and In Silico Insights

Cetiz,

Isah,

et al. 2024

Cell Biochemistry & Function

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Ocimum species have a great interest in different traditional medicinal systems. This study examined the chemical composition, antioxidant properties, enzyme inhibitory effects, and antibacterial and antifungal activities of the aerial parts of Ocimum gratissimum, Ocimum americanum, and Ocimum basilicum from the Comoros Islands. The extracts were analyzed using high‐performance liquid chromatography‐mass spectrometry (HPLC‐MS) to determine their chemical composition. Antioxidant activity was assessed using 2,2‐Diphenyl‐1‐picrylhydrazyl (DPPH), 2,2′‐Azino‐bis(3‐ethylbenzothiazoline‐6‐sulfonic acid) diammonium salt (ABTS), cupric reducing antioxidant capacity (CUPRAC), ferric reducing antioxidant power (FRAP), chelating ability, and phosphomolybdenum radical scavenging assays. Enzyme inhibitory activities against acetylcholinesterase (AChE), butrylcholinesterase (BChE), tyrosinase, amylase, and glucosidase were evaluated using spectrophotometric methods. Antibacterial and antifungal activities were tested using the broth microdilution method against selected pathogenic microorganisms. The selected enzymes and proteins were evaluated using in silico methods with biomolecules from these plants. In addition, 111 different metabolites were identified in the tested extracts using advanced HPLC/MS techniques. The most significant number of detected compounds were derivatives of hydroxycinnamic acids, followed by flavonoid glycosides and aglycones and derivatives of hydroxybenzoic acids. All three Ocimum species exhibited significant antioxidant activities, O. gratissimum exhibited the best‐reducing abilities in CUPRAC and FRAP assays. In addition, enzyme inhibitory assays revealed that O. americanum had the most potent inhibitory effect on tyrosinase (48.01 ± 3.89 mg kojic acid equivalent [KAE]/g), and amylase (1.08 ± 0.02 mmol acarbose equivalent [ACAE]/g). Antibacterial and antifungal tests demonstrated that the extracts possess broad‐spectrum activity. Molecular docking results showed that compounds exhibited remarkable binding energies with target enzymes and proteins. The molecular dynamics simulations identified chicoric acid with MurE of Staphylococcus aureus complex as the most promising drug candidate. These findings support their traditional medical and nutraceutical uses and suggest possibilities for natural functional applications.

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Understanding and controlling chemical clogging in drip irrigation: Integrating experimental methods, density functional theory calculations and molecular dynamics simulations

Said,

Mohamed,

Abdallah

et al. 2024

Irrigation and Drainage

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The chemical clogging of water drips is the main obstacle to the adoption and spread of microirrigation technology. The aim of this research is to understand the scaling phenomenon by identifying the substances responsible for emitter clogging using a combination of different methods of characterization and to investigate the effectiveness of a new product ‘Melacide P/2’ as a calcium carbonate scale inhibitor. A non‐electrochemical method from the Laboratory of Chemistry and Genie of the Environment (LCGE) was employed to investigate the effect of the inhibitor against calcium carbonate precipitation at 25°C. X‐ray diffraction (XRD) and scanning electron microscopy (SEM) were used to study the effect of Melacide P/2 on the scale morphology and crystalline phases. Density functional theory (DFT) and Monte Carlo (MC) simulations were performed to support the experimental results. Characterization techniques revealed that the scale recovered from the drips consisted mainly of calcium carbonate, a variety of calcite. The experimental data indicate the likelihood of preventing calcium carbonate precipitation after the addition of a very small amount (0.30 mg L⁻¹) of Melacide P/2 under the conditions of the experiment. XRD and SEM revealed that the inhibitor tested has the potential to disrupt or block regular CaCO3 crystal growth and transform a more stable and adherent scale of calcite to aragonite, which is easy to eliminate. The theoretical approach adopted supports the experimental findings. Therefore, Melacide P/2 could be used as a cost‐effective green‐scale inhibitor to protect microirrigation systems from unwanted scale formation.

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Toxicity Profile, Phytochemical Composition, and Anti-scaling Properties of the Aqueous Extract of Ocimum basilicum L. Leaves as Novel Green and Cost-Effective Inhibitor: Experimental, MC/SAA and DFT Approach

Cited by 7 publications

References 90 publications

Novel chemically reduced cobalt-doped g-C₃N₄ (CoCN-x) as a highly heterogeneous catalyst for the super-degradation of organic dyes via peroxymonosulfate activation

Novel chemically reduced cobalt-doped g-C₃N₄ (CoCN-x) as a highly heterogeneous catalyst for the super-degradation of organic dyes via peroxymonosulfate activation

Exploring of Chemical Profile and Biological Activities of Three Ocimum Species From Comoros Islands: A Combination of In Vitro and In Silico Insights

Understanding and controlling chemical clogging in drip irrigation: Integrating experimental methods, density functional theory calculations and molecular dynamics simulations

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Toxicity Profile, Phytochemical Composition, and Anti-scaling Properties of the Aqueous Extract of Ocimum basilicum L. Leaves as Novel Green and Cost-Effective Inhibitor: Experimental, MC/SAA and DFT Approach

Cited by 7 publications

References 90 publications

Novel chemically reduced cobalt-doped g-C3N4 (CoCN-x) as a highly heterogeneous catalyst for the super-degradation of organic dyes via peroxymonosulfate activation

Novel chemically reduced cobalt-doped g-C3N4 (CoCN-x) as a highly heterogeneous catalyst for the super-degradation of organic dyes via peroxymonosulfate activation

Exploring of Chemical Profile and Biological Activities of Three Ocimum Species From Comoros Islands: A Combination of In Vitro and In Silico Insights

Understanding and controlling chemical clogging in drip irrigation: Integrating experimental methods, density functional theory calculations and molecular dynamics simulations

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Product

Resources

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Novel chemically reduced cobalt-doped g-C₃N₄ (CoCN-x) as a highly heterogeneous catalyst for the super-degradation of organic dyes via peroxymonosulfate activation

Novel chemically reduced cobalt-doped g-C₃N₄ (CoCN-x) as a highly heterogeneous catalyst for the super-degradation of organic dyes via peroxymonosulfate activation