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1.
J Environ Manage ; 369: 122370, 2024 Oct.
Artículo en Inglés | MEDLINE | ID: mdl-39236605

RESUMEN

Insecticides and fungicides present potential threats to non-target crops, yet our comprehension of their combined phytotoxicity to plants is limited. Silicon (Si) has been acknowledged for its ability to induce crop tolerance to xenobiotic stresses. However, the specific role of Si in alleviating the cypermethrin (CYP) and hymexazol (HML) combined stress has not been thoroughly explored. This study aims to assess the effectiveness of Si in alleviating phytotoxic effects and elucidating the associated mechanisms of CYP and/or HML in tomato seedlings. The findings demonstrated that, compared to exposure to CYP or HML alone, the simultaneous exposure of CYP and HML significantly impeded seedling growth, resulting in more pronounced phytotoxic effects in tomato seedlings. Additionally, CYP and/or HML exposures diminished the content of photosynthetic pigments and induced oxidative stress in tomato seedlings. Pesticide exposure heightened the activity of both antioxidant and detoxification enzymes, increased proline and phenolic accumulation, and reduced thiols and ascorbate content in tomato seedlings. Applying Si (1 mM) to CYP- and/or HML-stressed seedlings alleviated pigment inhibition and oxidative damage by enhancing the activity of the pesticide metabolism system and secondary metabolism enzymes. Furthermore, Si stimulated the phenylpropanoid pathway by boosting phenylalanine ammonia-lyase activity, as confirmed by the increased total phenolic content. Interestingly, the application of Si enhanced the thiols profile, emphasizing its crucial role in pesticide detoxification in plants. In conclusion, these results suggest that externally applying Si significantly alleviates the physio-biochemical level in tomato seedlings exposed to a combination of pesticides, introducing innovative strategies for fostering a sustainable agroecosystem.


Asunto(s)
Piretrinas , Plantones , Silicio , Solanum lycopersicum , Solanum lycopersicum/efectos de los fármacos , Solanum lycopersicum/crecimiento & desarrollo , Plantones/efectos de los fármacos , Plantones/crecimiento & desarrollo , Piretrinas/toxicidad , Silicio/farmacología , Estrés Oxidativo/efectos de los fármacos , Fotosíntesis/efectos de los fármacos , Antioxidantes/metabolismo , Insecticidas/toxicidad
2.
Int J Mol Sci ; 25(16)2024 Aug 22.
Artículo en Inglés | MEDLINE | ID: mdl-39201804

RESUMEN

An asymmetric synthesis is a favorable approach for obtaining enantiomerically pure substances, but racemic resolution remains an efficient strategy. This study aims to elucidate the chiral resolution of aromatic amino acids and their elution order using glycopeptides as chiral selectors through molecular docking analysis. Chiral separation experiments were conducted using Vancomycin as a chiral additive in the mobile phase (CMPA) at various concentrations, coupled with an achiral amino column as the stationary phase. The Autodock Vina 1.1.2 software was employed to perform molecular docking simulations between each enantiomer (ligand) and Vancomycin (receptor) to evaluate binding affinities, demonstrate enantiomeric resolution feasibility, and elucidate chiral recognition mechanisms. Utilizing Vancomycin as CMPA at a concentration of 1.5 mM enabled the separation of tryptophan enantiomers with a resolution of 3.98 and tyrosine enantiomers with a resolution of 2.97. However, a poor chiral resolution was observed for phenylalanine and phenylglycine. Molecular docking analysis was employed to elucidate the lack of separation and elution order for tryptophan and tyrosine enantiomers. By calculating the binding energy, docking results were found to be in good agreement with experimental findings, providing insights into the underlying mechanisms governing chiral recognition in this system and the interaction sites. This comprehensive approach clarifies the complex relationship between chiral discrimination and molecular architecture, offering valuable information for creating and improving chiral separation protocols.


Asunto(s)
Aminoácidos Aromáticos , Glicopéptidos , Simulación del Acoplamiento Molecular , Glicopéptidos/química , Aminoácidos Aromáticos/química , Estereoisomerismo , Vancomicina/química , Cromatografía Líquida de Alta Presión/métodos , Ligandos
3.
Artículo en Inglés | MEDLINE | ID: mdl-39136832

RESUMEN

PURPOSE: Bacterial infections, particularly bacteremia, urinary tract infections (UTIs), and pus infections, remain among hospitals' most worrying medical problems. This study aimed to explore bacterial diversity, infection dynamics, and antibiotic resistance profiles of bacterial isolates. METHODS: We analyzed data from 1750 outpatients and 920 inpatients, of whom 1.6% and 8.47% respectively had various bacterial infections. RESULTS: The analysis revealed that UTIs were the most prevalent at 41.01%, particularly affecting women. UTIs also showed a distinct distribution across admission departments, notably in emergency (23.07%) and pediatric (14.10%) units. The most frequently isolated microorganisms were Escherichia coli (E. coli), followed by Klebsiella ornithinolytica. Skin infections followed UTIs, accounting for 35.88% of cases, more prevalent in men, with Staphylococcus aureus (S. aureus) being the primary pathogen (57%). Gram-negative bacteria (GNB) like E. coli and Pseudomonas aeruginosa contributed significantly to skin infections (43%). Bacteremia cases constituted 11.52% of bacterial infections, predominantly affecting women (67%) and linked to GNB (78%). A comparative study of antibiotic susceptibility profiles revealed more pronounced resistance in GNB strains isolated from inpatients, particularly to antibiotics such as Amoxicillin/clavulanic acid, Tetracyclin, Gentamicin, Chloramphenicol, and Ampicillin. In contrast, strains from ambulatory patients showed greater resistance to Colistin. Gram-positive bacteria from hospitalized patients showed higher resistance to quinolones and cephalosporins, while ambulatory strains showed high resistance to aminoglycosides, macrolides, fluoroquinolones, and penicillin. Furthermore, these analyses identified the most effective antibiotics for the empirical treatment of both community-acquired and nosocomial infections. Ciprofloxacin, aztreonam, and amikacin exhibited low resistance rates among GNB, with gentamicin and chloramphenicol being particularly effective for community-acquired strains. For S. aureus, ciprofloxacin, rifampicin, and cefoxitin were especially effective, with vancomycin showing high efficacy against community-acquired isolates and fosfomycin and chloramphenicol being effective for hospital-acquired strains. CONCLUSION: These results are essential for guiding antibiotic therapy and improving clinical outcomes, thus contributing to precision medicine and antimicrobial stewardship efforts.

4.
Anal Biochem ; 695: 115632, 2024 Dec.
Artículo en Inglés | MEDLINE | ID: mdl-39089362

RESUMEN

This study aims to quantify haloperidol and methylparaben in a liquid pharmaceutical formulation (2 mg/ml) using UV spectrometry and the simultaneous equations method. Additionally, we explored the stability of haloperidol under various stress conditions. The UV analysis revealed maximum absorption peaks at 248 nm for haloperidol and 256 nm for methylparaben, using a 1 % (v/v) lactic acid solution as the solvent. Method validation, conducted according to ICH guidelines, affirmed the method's reliability, showing excellent results in terms of linearity, precision, accuracy, and sensitivity. The method allows direct application to finished products, enabling simultaneous quantification without extractions. Its simplicity, speed, and cost-effectiveness make it ideal for routine controls in pharmaceutical industry haloperidol solution analyses. The method extends to monitoring forced degradation, indicating photolytic and hydrolytic degradation under acidic and basic conditions, while affirming thermal and oxidative stability. This proposed UV spectrometric method serves as a compelling alternative to pharmacopeia-recommended techniques, simplifying simultaneous determination of the active ingredient and preservative. This streamlines analysis, reducing time and costs. Additionally, it proves valuable in small industries lacking sophisticated instrumentation, offering insights into active ingredient behavior during forced degradation.


Asunto(s)
Haloperidol , Parabenos , Espectrofotometría Ultravioleta , Haloperidol/análisis , Haloperidol/química , Parabenos/análisis , Parabenos/química , Estabilidad de Medicamentos
5.
Nanomaterials (Basel) ; 14(13)2024 Jun 27.
Artículo en Inglés | MEDLINE | ID: mdl-38998710

RESUMEN

The objective of this study is the development of innovative nanocurcumin-based formulations designed for the treatment and prevention of oxidative stress and diabetes. Nanocurcumin was obtained through a micronization process and subsequently encapsulated within biopolymers derived from corn starch and fenugreek mucilage, achieving encapsulation rates of 75% and 85%, respectively. Subsequently, the encapsulated nanocurcumin was utilized in the formulation of sugar-free syrups based on Stevia rebaudiana Bertoni. The stability of the resulting formulations was assessed by monitoring particle size distribution and zeta potential over a 25-day period. Dynamic light scattering (DLS) revealed a particle size of 119.9 nm for the fenugreek mucilage-based syrup (CURF) and 117 nm for the corn starch-based syrup (CURA), with polydispersity indices PDIs of 0.509 and 0.495, respectively. The dissolution rates of the encapsulated nanocurcumin were significantly enhanced, showing a 67% improvement in CURA and a 70% enhancement in CURF compared with crude curcumin (12.82%). Both formulations demonstrated excellent antioxidant activity, as evidenced by polyphenol quantification using the 2.2-diphenyl 1-pycrilhydrazyl (DPPH) assay. In the evaluation of antidiabetic activity conducted on Wistar rats, a substantial reduction in fasting blood sugar levels from 392 to 187 mg/mL was observed. The antioxidant properties of CURF in reducing oxidative stress were clearly demonstrated by a macroscopic observation of the rats' livers, including their color and appearance.

6.
Pharmaceuticals (Basel) ; 17(3)2024 Mar 07.
Artículo en Inglés | MEDLINE | ID: mdl-38543134

RESUMEN

Investigations into cholinesterase inhibition have received attention from researchers in recent years for the treatment of Alzheimer's disease. Cholinesterase enzymes, namely, acetylcholinesterase (AChE) and butyrylcholinesterase (BChE), hold pivotal significance in Alzheimer's disease (AD) treatment. In this study, we utilized the ethanolic extract of Astragalus crenatus followed by liquid chromatography-electrospray ionization tandem mass spectrometry (LC-ESI-MS/MS) to separate and identify at least 21 compounds in the extract. Rosmarinic acid exhibited the highest concentration (96.675 ± 1.3 mg/g extract), succeeded by hesperidin (79.613 ± 1.2 mg/g extract), hesperetin (75.102 ± 1.4 mg/g extract), rutin (68.156 ± 1.6 mg/g extract), chlorogenic acid (67.645 ± 1.5 mg/g extract), fisetin (66.647 ± 2.3 mg/g extract), and hyperoside (63.173 ± 1.5 mg/g extract). A. crenatus extract efficiently inhibited both AChE and BChE activities in a dosage-dependent manner. Molecular docking was employed to scrutinize the anticholinesterase mechanisms of the identified phytocompounds. Notably, a network pharmacology analysis was executed for the most efficacious compound. Based on binding energies, hesperidin emerged as the most potent inhibitor against both AChE and BChE, exhibiting scores of -10.5 Kcal/mol and -9.8 Kcal/mol, respectively. Due to its dual inhibition of AChE and BChE activities, hesperidin from Astragalus crenatus holds promise for the development of novel therapeutics aimed at neurological disorders, particularly AD.

7.
Front Biosci (Landmark Ed) ; 28(10): 264, 2023 10 25.
Artículo en Inglés | MEDLINE | ID: mdl-37919091

RESUMEN

BACKGROUND: The intensive and injudicious use of pesticides in agriculture has emerged as a major concern due to its detrimental impact on aquatic ecosystems. However, the specific impact of broad-spectrum fungicides, such as Thiophanate-methyl (TM), on cyanobacteria remains a subject of ongoing research and debate. METHODS: In order to fill this knowledge gap, The present study aimed to comprehensively investigate the toxicological effects of TM (10-30 µg/L) on the growth, photosynthetic pigments, oxidative stress, and biochemical composition of the non-nitrogen-fixing cyanobacterium Arthrospira platensis. RESULTS: Our findings unequivocally demonstrated that TM exposure significantly inhibited the growth of A. platensis. Moreover, the decrease in chlorophyll content indicated a pronounced negative impact on the photosynthetic system of A. platensis caused by TM exposure. Notably, TM induced oxidative stress in A. platensis, as substantiated by a significant increase in lipid peroxidation (MDA) within the culture. Furthermore, the intracellular generation of hydrogen peroxide (H2O2) exhibited a positive correlation with higher TM dosages, while the levels of vital antioxidant enzymes, such as catalase (CAT) and ascorbate peroxidase (APX), exhibited a discernible decrease. This suggests that TM compromises the antioxidant defense mechanisms of A. platensis. Additionally, TM was found to enhance the activity of a plethora of enzymes involved in the detoxification of pesticides, including peroxidase (POD) and glutathione-S-transferase (GST), thereby indicating a robust detoxification response by A. platensis. Interestingly, exposure to TM resulted in a general suppression of biocomponent production, such as total proteins and total carbohydrates, which exhibited a diminishing trend with increasing TM concentration. Conversely, the lipid content witnessed a significant increase, possibly as an adaptive response to TM-induced stress. CONCLUSIONS: These findings contribute to a deeper understanding of the ecological implications of pesticide usage and emphasize the urgent need for the adoption of sustainable and environmentally-friendly agricultural practices to safeguard aquatic ecosystems.


Asunto(s)
Plaguicidas , Spirulina , Antioxidantes/farmacología , Antioxidantes/metabolismo , Tiofanato/farmacología , Peróxido de Hidrógeno/farmacología , Ecosistema , Spirulina/metabolismo , Estrés Oxidativo , Plaguicidas/farmacología
8.
Materials (Basel) ; 16(7)2023 Mar 23.
Artículo en Inglés | MEDLINE | ID: mdl-37048859

RESUMEN

The main objective of this study was to create a mathematical tool that could be used with experimental data to predict the rheological flow behavior of functionalized xanthan gum according to the types of chemical groups grafted onto its backbone. Different rheological and physicochemical analyses were applied to assess six derivatives synthesized via the etherification of xanthan gum by hydrophobic benzylation with benzyl chloride and carboxymethylation with monochloroacetic acid at three (regent/polymer) ratios R equal to 2.4 and 6. Results from the FTIR study verified that xanthan gum had been modified. The degree of substitution (DS) values varying between 0.2 and 2.9 for carboxymethylxanthan gum derivatives were found to be higher than that of hydrophobically modified benzyl xanthan gum for which the DS ranged from 0.5 to 1. The molecular weights of all the derivatives were found to be less than that of xanthan gum for the two types of derivatives, decreasing further as the degree of substitution (DS) increased. However, the benzyl xanthan gum derivatives presented higher molecular weights varying between 1,373,146 (g/mol) and 1,262,227 (g/mol) than carboxymethylxanthan gum derivatives (1,326,722-1,015,544) (g/mol). A shear-thinning behavior was observed in the derivatives, and the derivatives' viscosity was found to decrease with increasing DS. The second objective of this research was to create an ANN model to predict one of the rheological properties (the apparent viscosity). The significance of the ANN model (R2 = 0.99998 and MSE = 5.95 × 10-3) was validated by comparing experimental results with the predicted ones. The results showed that the model was an efficient tool for predicting rheological flow behavior.

9.
Micromachines (Basel) ; 14(3)2023 Mar 06.
Artículo en Inglés | MEDLINE | ID: mdl-36985017

RESUMEN

This work aimed to formulate xanthan gum microspheres for the encapsulation of metformin hydrochloride, according to the process of ionotropic gelation. The obtained microparticles, based on various fractions of xanthan gum (0.5-1.25), were subjected to different physico-chemical tests and a drug release study. Microspheres with an average size varying between 110.96 µm and 208.27 µm were obtained. Encapsulation efficiency reached 93.11% at a 1.25% biopolymer concentration. The swelling study showed a swelling rate reaching 29.8% in the gastric medium (pH 1.2) and 360% in the intestinal medium (pH 6.8). The drug release studies showed complete metformin hydrochloride release from the beads, especially those prepared from xanthan gum at the concentration of 1.25%, in intestinal medium at 90.00% after 6 h. However, limited and insignificant drug release was observed within the gastric medium (32.50%). The dissolution profiles showed sustained release kinetics.

10.
J Environ Manage ; 331: 117286, 2023 Apr 01.
Artículo en Inglés | MEDLINE | ID: mdl-36640645

RESUMEN

Consideration is now being given to the use of metal coagulants to remove turbidity from drinking water and wastewater. Concerns about the long-term impact of non-biodegradable sludge on human health and the potential contamination of aquatic systems are gaining popularity. Recently, alternative biocoagulants have been suggested to address these concerns. In this study, using a 1 M sodium chloride (NaCl) solution, the active coagulating agent was extracted from Pinus halepensis Mill. Seed, and used for the first time to remove Congo red dye, the influence of numerous factors on dye removal was evaluated in order to make comparisons with conventional coagulants. The application of biocoagulant was shown to be very successful, with coagulant dosages ranging from 3 to 12 mL L-1 achieving up to 80% dye removal and yielding 28 mL L-1 of sludge. It was also found that biocoagulant is extremely pH sensitive with an optimum operating pH of 3. Ferric chloride, on the other hand, achieved similar removal rate with higher sludge production (46 mL L-1) under the same conditions. A Fourier Transform Infrared Spectroscopy and proximate composition analysis were undertaken to determine qualitatively the potential active coagulant ingredient in the seeds and suggested the involvement of proteins in the coagulation-flocculation mechanism. The evaluation criteria of the Support vector machine_Gray wolf optimizer model in terms of statistical coefficients and errors reveals quite interesting results and demonstrates the performance of the model, with statistical coefficients close to 1 (R = 0.9998, R2 = 0.9995 and R2 adj = 0.9995) and minimal statistical errors (RMSE = 0.5813, MSE = 0.3379, EPM = 0 0.9808, ESP = 0.9677 and MAE = 0.2382). The study findings demonstrate that Pinus halepensis Mill. Seed extract might be a novel, environmentally friendly, and easily available coagulant for water and wastewater treatment.


Asunto(s)
Pinus , Purificación del Agua , Humanos , Rojo Congo/análisis , Aguas del Alcantarillado/química , Pinus/química , Aguas Residuales , Floculación , Semillas/química , Purificación del Agua/métodos , Cloruro de Sodio
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