GC-MS/MS Analysis and Wound Repair Potential of Urtica dioica Essential Oil: In silico Modeling and In vivo Study in Rats.

BACKGROUND: The study aimed to assess the antioxidant and wound healing properties of Urtica dioica essential oil (UDEO) through a comprehensive evaluation involving in silico, in vitro, and in vivo analyses. The phytochemistry of UDEO was also investigated to identify trace compounds crucial. METHODS: Various injection methods of the multimode inlet (MMI) in chromatography were investigated to attain lower instrumental detection limits. Subsequently, in silico studies were employed to delve deeper into the potential biological activities of the identified compounds. Standard antioxidative tests, encompassing ABTS•+ and TAC, were performed. In vivo tests centered on wound healing were implemented using rat models. The rats were randomly allocated to four groups: saline solution, vaseline vehicle, cytol centella, and 5% UDEO ointment. Wound healing progress was evaluated through a chromatic study. RESULTS: Gas chromatography combined with triple quadrupole mass spectrometry (GC-MS/MS) analysis revealed the presence of 97 thermolabile compounds in UDEO. Subsequent in silico studies unveiled the potential of identified compounds to inhibit COX-2, TNF-α, and IL-6, suggesting a possible enhancement of anti-inflammatory responses and healing processes. In vitro tests elucidated the notable antioxidant capacity of UDEO, a finding reinforced by wound healing data, revealing a substantial closure rate of 89% following the topical application of UDEO. Notably, fibrinogen and C-reactive protein (CRP) levels were significantly reduced, indicating minimized oxidative stress damage compared to control. Additionally, UDEO exhibited an increase in antioxidant enzyme activities compared to control. CONCLUSION: The study concludes that UDEO possesses significant antioxidant and wound-healing properties, supported by its rich phytochemical composition. The findings suggest its potential application in therapeutic interventions for oxidative stress and inflammatory conditions.

Urtica dioica Extract Abrogates Chlorpyrifos-Induced Toxicity in Zebrafish Larvae.

Chlorpyrifos (CPF) is a widely used organophosphate insecticide, though its excessive use causes environmental contamination, raising concerns about its adverse effects on human health. In this regard, Urtica dioica stands out as a promising candidate for counteracting chemical 'contaminant' toxicity thanks to its therapeutic properties. Therefore, our study aimed to investigate the potential of an Urtica dioica ethanolic extract (UDE) to mitigate chlorpyrifos-induced toxicity. Eight compounds in the Urtica dioica ethanolic extract have been identified, most of which present significant potential as antioxidant, anti-inflammatory, and neuroprotective agents. Chlorpyrifos exposure altered hatching rates, increased the incidence of teratogenic effects, and upregulated the expression of brain-derived neurotrophic factor (Bdnf) in zebrafish larvae telencephalon. On the other hand, UDE demonstrated a preventive effect against CPF-induced teratogenicity, which is expressed by a lower morphological deformity rate. Moreover, the UDE showed a rather protective effect, maintaining the physiological condition of the telencephalon. Additionally, CPF altered the locomotor behavior of larvae, which was characterized by irregular swimming and increased activity. This defective behavioral pattern was slightly attenuated by the UDE. Our findings suggest that the UDE possesses significant protective properties against CPF-induced toxicity, probably conferred by its natural antioxidant and anti-inflammatory contents. Still, further research is needed to elucidate the recruited mechanisms and implicated pathways on UDE's protective effects.

Phytochemical composition of Urtica dioica essential oil with antioxidant and anti-inflammatory properties: In vitro and in vivo studies.

Background Urtica dioica (Urticaceae) is distinguished by its therapeutic medicinal and pharmacological properties from all over the world. This investigation was designed toassess the chemical composition, the total polyphenol and flavonoid content, antioxidant, anti-proliferative, and anti-inflammatory effects of Urtica dioica essential oil (UDEO). Methods GC/MS analysis was performed to assess the chemical composition, standard antioxidative test DPPH assay, reducing power assay, as well as the anti-proliferative capacities of UDEO against HeLa cell lines using the MTT test. In addition, the anti-inflammatory activities of UDEO were evaluated using paw thickness measurements in rats with carrageenan-induced paw edema and pathologic evaluation of inflammation in paw sections. Results GC/MS analysis revealed benzene dicarboxylic acid (14.69%), ß-linalool (9.79%), phytol (9.52%), menthol (6.65%), borneol (6.45%), 3-Eicosene (E) (6.10%), 1-8 cineole (5.60%) and camphor (5.36%) as the major components of UDEO. In vitro results showed that UDEO contained 191±2.04 mg GAE/g of polyphenols and 83.59±4.7 mg CE/g of flavonoids. In addition, the UDEO showed radical scavenging activity with IC50 = 0.14±0.003 mg/mL and ferric reducing antioxidant power (FRAP) (optical density=0.556). A side from the UDEO's antioxidant properties, our findings revealed a reduction in ROS generation in the HeLa cell line. Furthermore, the anti-proliferative activity of UDEO is accompanied by acytotoxicity effect (IC50 at 3.20 µg ml-1). Data from inflammation models revealed that UDEO has an anti-inflammatory effect. The pretreatment with UDEO or Indomethacin (Ind) reduced significantly the volume of edema induced by Carr, the level of C-reactive protein (CRP), the reactive thiobarbituric acid (TBARS), the conjugated dienes (CD), the carbonyl proteins (CP) and the advanced protein oxidation products (AOPP). Furthermore, it restored the hematology parameters such as white blood cells (WBC), lymphocytes (LYM), and platelets (PLT). In addition, it increased the activities of antioxidant enzymes, including superoxide dismutase (SOD), catalase (CAT), and glutathione peroxidase (GPx). In UDEO-treated rats, the histopathological examinations of the paws revealed little infiltration of inflammatory cells. Conclusion The decrease in paw edema and human cell lines HeLa cytotoxicity showed that UDEO possesses anti-inflammatory and antioxidant properties, which could be attributed to the high amount of phenolic and flavonoid contents.

Photocatalytic degradation of Penicillin G in aqueous solutions: Kinetic, degradation pathway, and microbioassays assessment.

The photocatalytic degradation of pharmaceutical micropollutants of Penicillin G (PG) was investigated in a photoreactor at a laboratory scale. The impact of type of catalyst, pH, and initial concentration of PG were studied. Maximum removal efficiency was obtained at pH = 6.8, [ZnO]0 = 0.8 g L-1, and [PG]0 = 5 mg L-1 and reaction time of 150 min. The addition of persulfate sodium (PPS) enhanced the efficiency of the photocatalytic reaction. The efficiency of photolysis process in the presence of PPS was significantly improved to 72.72% compared to the classical photocatalysis system (56.71%). Optimum concentration of PPS to completely degraded PG was found to be 500 mg L-1. The QuEChERS extraction, GC-MS/MS method, and concentration technique showed favorable performance identification of the possible mechanism of PG degradation pathway. Toxicity of PG and its by-products were evaluated using microbioassays assessment based on nine selected bacterial strains. Results confirmed the effectiveness of the implemented system and its safe use via the bacteria Bacillus subtilis, which has illustrated significant activity. Due to the high efficiency, facility benefits, and low-cost of the suggested process, the process can be considered for the degradation of various pharmaceutical contaminants in pharmaceutical industry treatment under the optimal conditions.

Photocatalytic, self-cleaning and antibacterial properties of Cu(II) doped TiO2.

In the study, sol-gel based TiO2 nanoparticles (NPs) were doped by Cu(II), and the surface of cotton fabric was coated with Cu-doped TiO2 NPs to develop self-cleaning and antibacterial properties. Coffee stains were introduced on the modified cotton fabric and under suntest illumination; a decrease in the color of coffee stain was followed over time via K/S value to determine self-cleaning performance. The photocurrent in a photoelectrocatalytic reactor was measured to evaluate the photocatalytic effect of Cu(II) doping. TiO2 NPs showed self-cleaning and antibacterial effects under UV-illuminated conditions. However, no effects were observed under dark (non-illuminated) conditions. The modified textiles with Cu(II) doped TiO2 NPs showed antibacterial activity against E. coli under light and dark conditions. Under the 2 h illumination period, fluctuating color changes were observed on the raw cotton fabric, and stains remained on the fabric while 78% and 100% color removals were achieved in the cotton fabrics coated by Cu doped TiO2 NPs in 1 h and 2 h, respectively.

Optimal degradation of organophosphorus pesticide at low levels in water using fenton and photo-fenton processes and identification of by-products by GC-MS/MS.

This study aiming to determine the optimal conditions to degrade an organophosphate pesticide diazinon (DZN) at low levels concentrations (µg.mL-1) and to identify the by-products generated. The degradation processes utilized were the Fenton and photo-Fenton. The iron concentration [Fe2+], the hydrogen peroxide concentrations [H2O2], and the solution pH are the investigated parameters. The Doehlert three-parameter experimental design was applied to model and optimize both degradation processes. The mathematical models suggested were assessed and validated by application of analysis of variances ANOVA. In the case of Fenton process, the greatest yield of degradation (79%) was obtained at [Fe2+] = 35 mg.L-1 (0.63 mmol.L-1), [H2O2] = 423 mg.L-1 (12.44 mmol.L-1), and pH = 5.0. In photo-Fenton process, the maximum yield of degradation (96%) was obtained under the conditions of [Fe2+] = 29 mg.L-1 (0.52 mmol.L-1), [H2O2] = 258 mg.L-1 (7.59 mmol.L-1) and pH = 4.6. QuEChERS (quick, easy, cheap, effective, rugged, and safe), as extraction technique, and GC-MS/MS (gas chromatography coupled with triple quadrupole mass spectrometry) were used to identify the by-products degradation of DZN. The identified compounds are diazoxon, triethyl phosphate, triethyl thiophosphate, 2-isopropyl-5-ethyl-6-methylpyrimidine-4-ol, 2-isopropyl-6-methylpyrimidine-4-ol (IMP) and hydroxydiazinon. Three possible pathways for diazinon degradation have been suggested and the hydroxylation, oxidation and hydrolysis are likely probable degradation mechanisms.

Valorization of Opuntia ficus-Indica Pads and Steel Industry FeCl3-Rich Rejection for Removing Surfactant and Phenol from Oil Refinery Wastewater Through Coagulation-Flocculation.

BACKGROUND: Refinement of crude vegetable oil generates a large amount of wastewater and is a source of water pollution due to the presence of surfactants and phenols. Phenols are toxic aromatic compounds that can be lethal to fauna and flora, entraining the deceleration or blocking of the self-purification of biological treatments. In addition, surfactants can limit biological processes by inhibiting microorganisms that degrade organic matter. OBJECTIVES: The aim of the present study was to evaluate the treatment of refinery rejects loaded with phenols and detergents by coagulation flocculation using cactus pads (genus Opuntia) as a bio-flocculant and 30% iron(III) chloride (FeCl3) for surfactant and phenol removal. In addition, operating costs were evaluated for these pollution mitigation methods. METHODS: The effectiveness of cactus pads as a bio-flocculant and 30% FeCl3 for surfactant and phenol removal were studied using a jar test. The study was conducted on vegetable oil refinery wastewater from a refinery company in Casablanca, Morocco. RESULTS: The pollution load in wastewater varied widely from day to day. We evaluated the effect of cactus juice and 30% FeCl3 on high and low pollution loads. Opuntia pads showed a favorable potential for the treatment of low pollution load wastewater, with 78% and 90% of surfactant and phenol removed, respectively. However, the removal of high pollution load was less effective (42% and 41% removal of surfactant and phenol, respectively). The turbidity of low and high pollution load was reduced by 98.85% and 86%, respectively. The results demonstrate that 30% FeCl3 can effectively treat both low and high pollution loads (90% and 89% phenol removal, respectively, and 90% and 70% surfactant removal, respectively (optimal concentration 1.48 g/l). The turbidity was reduced by over 96% for both high and low pollutants. CONCLUSIONS: The results of the present study indicate that cactus as a natural flocculant and reject rich in FeCl3 could be effectively used for the low-cost effective treatment of crude vegetable oil refinery rejects. COMPETING INTERESTS: The authors declare no competing financial interests.

Antioxidant and antiproliferative potential of biosurfactants isolated from Lactobacillus casei and their anti-biofilm effect in oral Staphylococcus aureus strains.

Biosurfactants also called bioemulsifiers are amphipathic compounds produced by many microorganisms that allow them to exhibit a wide range of biological activities. The aim of this study was to determine the antioxidant and antiproliferative potential of biosurfactants isolated from Lactobacillus casei and to assess their anti-adhesive and anti-biofilm abilities against oral opportunistic Staphylococcus aureus strains. The antioxidant activity of biosurfactant was evaluated using the in vitro scavenging ability on 1,1-diphenyl-2-picrylhydrazyl (DPPH) radical. The antiproliferative activity was determined on epithelial cell line (HEp-2) by the Methylthiazole tetrazolium (MTT) reduction assay. The anti-adhesive and antibiofilm activity against S. aureus strains were achieved using crystal violet staining. Our results revealed that the DPPH scavenging activity of biosurfactants at 5.0 mg/mL concentration is between 74.6 and 77.3%. Furthermore, biosurfactants showed antiproliferative potency against studied epithelial cells as judged by IC50 and its value ranged from 109.1 ± 0.84 mg/mL to 129.7 ± 0.52 mg/mL. The results of the growth inhibition indicate that biosurfactant BS-LBl was more effective against oral S. aureus strains 9P and 29P with an IC50 of 1.92 ± 0.26 mg/mL and 2.16 ± 0.12 mg/mL respectively. Moreover, both biosurfactants displayed important antibiofilm activity with eradication percentages ranging from 80.22 ± 1.33% to 86.21 ± 2.94% for the BS-LBl, and from 53.38 ± 1.77% to 64.42 ± 2.09% for the BS-LZ9. Our findings demonstrate that biosurfactants from L. casei strains exhibited considerable antioxidant and antiproliferative potencies and were able to inhibit oral S. aureus strains with important antibiofilm efficacy. They could have a promising role in the prevention of oral diseases.

Adhesiveness of opportunistic Staphylococcus aureus to materials used in dental office: In vitro study.

Staphylococcus aureus (S. aureus) is one of several opportunistic microbial pathogens associated with many healthcare problems. In the present study, S. aureus was assessed for its biofilm-forming ability on materials routinely used in dental offices, including stainless steel (SS), polyethylene (PE), and polyvinyl chloride (PVC). Materials that were tested were characterized for roughness (Ra) and surface free energy (SFE). The adhesion forces exerted by S. aureus to each substratum were investigated using atomic force microscopy (AFM), and biofilm formation was quantitatively assessed by crystal violet staining assay. AFM measurements demonstrated that the strongest adhesion forces (20 nN) were exerted on the PE surfaces (P < 0.05) and depended more on Ra. In addition, the results of biofilm formation capability indicated that S. aureus exhibited more affinity to SS materials when compared to the other materials (P < 0.05). This ability of biofilm formation seems to be more correlated to SFE (R = 0.65). Hence, control of the surface properties of materials used in dental practices is of crucial importance for preventing biofilm formation on dental materials to be used for patients' dental care.