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  • 1
    In: Sustainability, MDPI AG, Vol. 15, No. 10 ( 2023-05-10), p. 7842-
    Abstract: This study aims to study the impact of environmental stresses on the chemical compositions of essential oils and the content of secondary metabolites of the plants most used by the rural population: Thymus vulgaris, Mentha pulégium and Rosmarinus officinalis. The results of the study indicate that the percentage of secondary metabolites increased in the second year when temperature and water pressure increased by 50%. Specifically, coumarin increased from 3.94% to 9.23%, saponins increased from 6.17% to 7.78%, tannins increased from 2.90% to 6.12%, alkaloids increased from 6.72% to 15.95%, and flavonoids increased from 7.42% to 12.90%. However, in the fourth year, the temperature continued to increase, and water availability decreased by 75%, leading to a decrease in the rate of secondary metabolites. Coumarin decreased from 9.22% to 6.15%, saponin decreased from 7.80% to 6.79%, tannin decreased from 6.11% to 4.16%, alkaloids decreased from 15.95% to 10.45%, and flavonoids decreased from 12.90% to 9.70%. Similar results were observed for the essential oil yield, which increased in year two from 3.57% to 3.84% and decreased in year four to 1.04%. The same pattern was observed for Mentha pulégium and Rosmarinus officinalis. The gas chromatography analysis of the three essential oil samples showed that the majority of the compounds of the three plants were modified under the conditions of climate change. For Mentha pulégium, pulegone was found to represent the highest proportion in sample two (73.3%), followed by sample one (71.1%), and finally, sample three (61.8%). For Rosmarinus officinalis, the majority of compounds were cineole and camphor, with cineole representing 36% in sample two, 45.89% in sample one, and 43.08% in sample three, and camphor representing 21.44% in sample two, 21.56% in sample three, and 17.44% in sample one. For Thymus vulgaris, the majority of the compounds were Thymol and Carvacrol, which underwent approximately the same modifications as the majority of compounds in the other two plants. The results indicate that environmental stresses can lead to significant changes in these compounds, which can affect the medicinal and aromatic properties of these plants. The findings of this study highlight the need for more research to understand the impacts of climate change on plant species and the potential implications for human health and well-being.
    Type of Medium: Online Resource
    ISSN: 2071-1050
    Language: English
    Publisher: MDPI AG
    Publication Date: 2023
    detail.hit.zdb_id: 2518383-7
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  • 2
    In: Separations, MDPI AG, Vol. 10, No. 7 ( 2023-07-10), p. 396-
    Abstract: This article is part of the contribution to the development of two medicinal plants widely used by the Moroccan population: white wormwood (Artemisia herba-alba) andArâr (Juniperus phoenicea), species belonging to the Asteraceae and Cupressaceae families, respectively. The present work was conducted to investigate the chemical composition and anticorrosive properties of essential oils (EOs) extracted from these plants. The chemical analysis of the essential oils (EOs) was carried out by GC-MS/MS. Potentiodynamic polarization, electrochemical impedance spectroscopy (EIS), and quantum chemical calculations by density-functional theory at B3lYP were used to study the anticorrosive effect of the researched oils on mild steel in 1 M hydrochloric acid solution. Moreover, SEM-EDX analysis was used to identify the surface morphology of mild steel surface. GC-MSMS results showed the presence of 32 potentially active compounds in the EOs of Artemisia herba-alba. The average yield of the EOs was about 1.39 ± 0.17 mL/100 g dry matter. Beta thujone (30.07%) and alpha thujone (13.32%) are the main components, while for the EOs of Juniperus phoenicea, the study showed the presence of 30 constituents, with alpha-pinene (43.61%) and manoyl oxide (11.5%) as the main components. The average yield of HE was 1.10 ± 0.03 mL/100 g dry matter. The findings demonstrated an important anticorrosive action of EOs from Artemisia herba-alba and Juniperus phoenicea. Notably, the experimental results showed good efficiency of the studied essential oils and correlated well with the density-functional theory (DFT) calculations. The results of potentiodynamic polarization measurements showed that hydrazone acted as a mixed-type inhibitor. The EIS results showed an increase in charge transfer resistance accompanied by a noticeable decrease in Cdl values, revealing that both studied oils were effective as reliable inhibitors for the protection of mild steel in 1 M HCl solution. Also, the efficiency decreased with decreasing inhibitor concentrations. Surface studies ensure the effectiveness of both investigated oils and the reduction of the surface roughness of mild steel. Furthermore, DFT results of the major constituents of Artemisia herba-alba and Juniperus phoenicea EOs revealed insights into the chemical reactivity of the tested oils while supporting the experimental conclusions and showed outstanding adsorption ability of both investigated EOs on the steel surface.
    Type of Medium: Online Resource
    ISSN: 2297-8739
    Language: English
    Publisher: MDPI AG
    Publication Date: 2023
    detail.hit.zdb_id: 2869930-0
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  • 3
    In: Sustainability, MDPI AG, Vol. 13, No. 23 ( 2021-12-02), p. 13335-
    Abstract: Composting is an ecological method of recycling organic waste. It presents an effective solution to reduce the large volume of agricultural waste and provides an organic fertilizer and soil amendment. However, its implementation remains limited, especially in Morocco. The vast majority of farmers are unaware of the effectiveness of compost, and it is often considered as an inefficient product compared with chemical fertilizers. In order to develop a local marketing strategy for compost, this study aims to identify the perceptions and willingness of farmers to produce and use compost in agriculture, and to assess the factors shaping these perceptions and willingness, including socio-economic, agricultural and individual factors. The case of Morocco is investigated, where the vast majority of farmers practice inappropriate disposal of agricultural waste and excessive use of agro-chemicals. Data are collected using a standard questionnaire and face-to-face interviews with 350 farmers during their visit to the international agricultural exhibition in Morocco. Descriptive statistics and analysis of variance (ANOVA) are used for data analysis. The results showed a high level (80%) of acceptance by farmers of the production and use of compost. Farmers are also very willing to produce and use compost in agriculture. All the socio-economic, individual and agricultural factors, except gender, length of experience and cultivated area, had a highly significant influence on farmers’ perception and willingness to produce compost (p 〈 0.005). The positive perceptions of farmers and the high level of willingness to produce compost imply that the composting of organic waste should be encouraged by our local authorities. The production of compost will thus contribute to environmental sustainability and to the promotion of the ecological management of agricultural waste meeting the requirements of a circular economy.
    Type of Medium: Online Resource
    ISSN: 2071-1050
    Language: English
    Publisher: MDPI AG
    Publication Date: 2021
    detail.hit.zdb_id: 2518383-7
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  • 4
    In: Lubricants, MDPI AG, Vol. 10, No. 3 ( 2022-03-15), p. 43-
    Abstract: This paper addresses the prediction of the adsorption behavior as well as the inhibition capacity of non-toxic sulfonamide-based molecules, also called sulfa drugs, on the surface of mild steel. The study of the electronic structure was investigated through quantum chemical calculations using the density functional theory method (DFT) and the direct interaction of inhibitors with the iron (Fe) metal surface was predicted using the multiple probability Monte Carlo simulations (MC). Then, the examination of the solubility and the environmental toxicity was confirmed using a chemical database modeling environment website. It was shown that the presence of substituents containing heteroatoms able to release electrons consequently increased the electron density in the lowest unoccupied and highest occupied molecular orbitals (LUMO and HOMO), which allowed a good interaction between the inhibitors and the steel surface. The high values of EHOMO imply an ability to donate electrons while the low values of ELUMO are related to the ability to accept electrons thus allowing good adsorption of the inhibitor molecules on the steel surface. Molecular dynamics simulations revealed that all sulfonamide molecules adsorb flat on the metal surface conforming to the highly protective Fe (1 1 0) surface. The results obtained from the quantum chemistry and molecular dynamics studies are consistent and reveal that the order of effectiveness of the sulfonamide compounds is P7 〉 P5 〉 P6 〉 P1 〉 P2 〉 P3 〉 P4.
    Type of Medium: Online Resource
    ISSN: 2075-4442
    Language: English
    Publisher: MDPI AG
    Publication Date: 2022
    detail.hit.zdb_id: 2704327-7
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  • 5
    In: Molecules, MDPI AG, Vol. 28, No. 14 ( 2023-07-11), p. 5340-
    Abstract: The synthesis of 5,6,7,8-tetrahydro-[1,2,4]triazolo[5,1-b] quinazolin-9(4H)-one (THTQ), a potentially biologically active compound, was pursued, and its structure was determined through a sequence of spectral analysis, including 1H-NMR, 13C-NMR, IR, and HRMS. Four bacterial and four fungal strains were evaluated for their susceptibility to the antibacterial and antifungal properties of the THTQ compound using the well diffusion method. The impact of THTQ on the corrosion of mild steel in a 1 M HCl solution was evaluated using various methods such as weight loss, potentiodynamic polarization (PDP), electrochemical impedance spectroscopy (EIS), and scanning electron microscopy (SEM) analysis. The study revealed that the effectiveness of THTQ as an inhibitor increased with the concentration but decreased with temperature. The PDP analysis suggested that THTQ acted as a mixed-type inhibitor, whereas the EIS data showed that it created a protective layer on the steel surface. This protective layer occurs due to the adsorption behavior of THTQ following Langmuir’s adsorption isotherm. The inhibition potential of THTQ is also predicted theoretically using DFT at B3LYP and Monte Carlo simulation.
    Type of Medium: Online Resource
    ISSN: 1420-3049
    Language: English
    Publisher: MDPI AG
    Publication Date: 2023
    detail.hit.zdb_id: 2008644-1
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  • 6
    In: Separations, MDPI AG, Vol. 10, No. 6 ( 2023-06-09), p. 348-
    Abstract: This study is aimed at evaluating the potential of the essential oil of Cinnamomum verum (EOCV) as an antioxidant, as an insecticide against Callosobruchus maculatus and for its anti-acetylcholinesterase activity. To this end, EOCV was extracted via hydrodistillation from this plant, and the identification of the phytochemicals was performed using gas chromatography–mass spectrometry (GC–MS). The antioxidant power was determined via in vitro tests, the insecticidal ability was tested via exposing C. maculatus to EOCV, and molecular docking was used to evaluate the anti-cholinesterase ability. The results of these GC–MS analyses show that the main composition of EOCV comprises Cinnamaldehyde dimethyl acetal (64.50%), cinnamicaldehyde (35.04%) and α-Copaene (0.11%). The insecticidal potential of the studied OEs, determined by using the inhalation test, and expressed as the concentration of EOs required for the death of 50% of the insects (LC50) and that required the death of 95% of adults (LC95) after 96 h of exposure, was 3.99 ± 0.40 and 14.91 ± 0.10 μL/L of air, respectively. In the contact test, 96 h of exposure gave an LC50 and LC95 of 3.17 ± 0.28 and 8.09 ± 0.05 μL/L of air, respectively. A comparison of the antioxidant activity of EOCV to that of ascorbic acid via DPPH free radical scavenging ability and Ferric Reducing Antioxidant Power (FRAP) revealed the IC50 and EC50 values of EOCV to be much higher than that obtained for ascorbic acid, and the molecular docking simulation revealed Coumarin, Piperonal, Cinnamaldehyde dimethyl and alpha-Copaene as possessing potential inhibitory activities against human acetylcholinesterase. However, further experimental validation is needed to enhance the prospects of this study.
    Type of Medium: Online Resource
    ISSN: 2297-8739
    Language: English
    Publisher: MDPI AG
    Publication Date: 2023
    detail.hit.zdb_id: 2869930-0
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  • 7
    In: Horticulturae, MDPI AG, Vol. 8, No. 10 ( 2022-09-28), p. 886-
    Abstract: Anvillea radiata is a medicinal plant that has been used in traditional phytotherapy in North Africa as a treatment for various illnesses. In this study, we aim to explore the antioxidant, antifungal, and antibacterial effects of essential oils of Anvillea radiata (EOAR) collected in Morocco. EOAR was extracted by the hydrodistillation method, and the phytochemical identification was carried out by gas chromatography-Mass Spectrometry (GC/MS). The antioxidant capacity was evaluated by the 2.2-diphenyl-1-picrylhydrazyl (DPPH) method, ferricyanide method (FRAP) as well as total antioxidant capacity (TAC). Antifungal and antibacterial properties were determined by use of the disc diffusion and minimum inhibitory concentration assays. The microbial strains used in the antimicrobial evaluation were: Aspergillus niger (MTCC 282), Aspergillus flavus (MTCC 9606), Fusarium oxysporum (MTCC 9913), Candida albicans (ATCC 10231), Escherichia coli (ATB 97/BGM), Staphylococcus aureus (ATCC 6633), Bacillus subtills (DSM 6333), and Escherichia coli (ATB 57/B6N). Based on in silico simulations, the inhibitory power of EOAR against nicotinamide adenine dinucleotide phosphate oxidase (NADPH) was evaluated. The yield of the oil was 0.96% wherein 12 compounds were identified including α-cuprenene (33.48%) camphor (21.41%) and α-himachalene (15.88%) as major compounds. The antioxidant capacity showed an IC50 of 32.36 µg/mL (DPPH) and an EC-50 value of 64.60 ± 3.71 µg/mL in the FRAP assay. The total antioxidant capacity showed a concentration of 977.51 ± 22.38 µg AAE/mg (TAC). As for the antimicrobial effects, the inhibition diameter of the studied bacteria ranged from 23.50 ± 2.31 to mm 29.50 ± 2.21 mm, while for fungi, ranged from 25.12 ± 2.82 mm to 11.42 ± 1.90 mm. Minimum Inhibitory Concentration (MIC) ranged from 12.71 ± 1.59 µg/mL to 23.53 ± 0.78 µg/mL for bacterial strains and 10.31 ± 1.34 µg/mL to 22.75 ± 1.06 µg/mL for fungal strains. In silico, among all Anvillea radiata essential oils analyzed, the sesquiterpene γ-dehydro-ar-himachalene, monoterpenoid phenol carvacrol, as well as sesquiterpene α-cadinene were the most active compounds against NADPH oxidase with a glide score of −6.233, −6.082, and −5.057 Kcal/mol, respectively. Taken together, these data showed that EOAR exhibited enormous significance as an antioxidant, antifungal, and antibacterial agent.
    Type of Medium: Online Resource
    ISSN: 2311-7524
    Language: English
    Publisher: MDPI AG
    Publication Date: 2022
    detail.hit.zdb_id: 2813983-5
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  • 8
    In: Foods, MDPI AG, Vol. 12, No. 11 ( 2023-05-31), p. 2219-
    Abstract: Canola, Brassica napus L., is a major oilseed crop that has various uses in the food, feed, and industrial sectors. It is one of the most widely produced and consumed oilseeds in the world because of its high oil content and favorable fatty acid composition. Canola grains and their derived products, such as canola oil, meal, flour, and bakery products, have a high potential for food applications as they offer various nutritional and functional benefits. However, they are affected by various factors during the production cycle, post-harvest processing, and storage. These factors may compromise their quality and quantity by affecting their chemical composition, physical properties, functional characteristics, and sensory attributes. Therefore, it is important to optimize the production and processing methods of canola grains and their derived products to ensure their safety, stability, and suitability for different food applications. This literature review provides a comprehensive overview of how these factors affect the quality of canola grains and their derived products. The review also suggests future research needs and challenges for enhancing canola quality and its utilization in food.
    Type of Medium: Online Resource
    ISSN: 2304-8158
    Language: English
    Publisher: MDPI AG
    Publication Date: 2023
    detail.hit.zdb_id: 2704223-6
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  • 9
    In: Lubricants, MDPI AG, Vol. 10, No. 7 ( 2022-07-14), p. 157-
    Abstract: The continuous search for eco-friendly corrosion inhibitors due to differences in corrosive media remains an important point in corrosion control. The experimental studies on the corrosion inhibition of urea on mild steel in automotive gas oil (AGO) was conducted using gasometric techniques and scanning electron microscope (SEM). The theoretical approach on the density functional theory (DFT) on the urea molecule was carried out using Gaussian 09 software. The adsorption behavior of urea molecules on the surface of the mild steel was analyzed using Frumkin and Flory-Huggins adsorption isotherms models and Gibb’s free energy, respectively. The result of the experimental study shows a poor corrosion inhibitory effect of urea on mild steel in automobile gas oil (AGO) medium as the inhibition efficiency decreased from 69.30% in week 1 to 12% in week 11 at 200 ppm of inhibitor. The adsorption of urea on the mild steel surface obeys Frumkin’s adsorption isotherm model. Gibb’s free energy of adsorption of urea molecules onto mild steel surface revealed a physisorption mechanism. SEM results showed the non-inhibitive nature of urea on the studied mild steel. Quantum chemical parameters such as HOMO, LUMO, electron affinity, electronegativity, and the fraction of electrons transferred to the metal surface were calculated and interpreted to compare the experimental and theoretical results. The theoretical findings in the current investigation were not in agreement with the experimental result, thereby creating a need for further study using the electrochemical method.
    Type of Medium: Online Resource
    ISSN: 2075-4442
    Language: English
    Publisher: MDPI AG
    Publication Date: 2022
    detail.hit.zdb_id: 2704327-7
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  • 10
    In: Coatings, MDPI AG, Vol. 8, No. 10 ( 2018-09-21), p. 330-
    Abstract: Pyridine (P1) and benzoic acid (P2) derivatives with pyrazole moieties were synthesized and evaluated as corrosion inhibitors for mild steel in acidic medium. The evaluation was performed by electrochemical impedance spectroscopy (EIS), potentiodynamic polarization, and weight loss measurement. The surface morphologies of the control and steel samples coated with the pyrazole derivatives P1 and P2 were examined by the scanning electron microscopy (SEM), UV-Vis, and X-ray photoelectron spectrocopy (XPS) spectroscopies. Results revealed minor changes on steel surfaces before and after immersion in a 1 M HCl solution. Both derivatives, P1 and P2, showed good inhibition efficiency that is dependent on inhibitor concentration. Both P1 and P2 act as mixed-type inhibitors. The benzoic acid derivative (P2) showed a higher efficiency than P1, which could be attributed to the carboxyl group that is located at the para position to the amino group. This induces a direct electronic resonance between the two groups, the amino and the carboxyl. As a result of this, a higher electron density on the carboxyl group and a stronger bonding to the metal surface occurred. Results also show that, the bonding of both pyrazoles on mild steel surface obey Langmuir adsorption isotherm. Quantum chemical calculations were performed to theoretically define the relationship between the molecular structures and inhibition efficiencies of P1 and P2.
    Type of Medium: Online Resource
    ISSN: 2079-6412
    Language: English
    Publisher: MDPI AG
    Publication Date: 2018
    detail.hit.zdb_id: 2662314-6
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