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1.
Molecules ; 29(18)2024 Sep 16.
Artículo en Inglés | MEDLINE | ID: mdl-39339394

RESUMEN

The growing demand for sustainable building materials, amid escalating costs, has spurred interest in alternative solutions such as wood cement composites. This study explores the feasibility of producing wood cement boards (WCBs) using locally sourced cedar sawdust as a reinforcing agent. Boards with a thickness of 10 mm and a target density of 1200 kg/m3 were manufactured under pressures ranging from 2 to 6 MPa for 24 h. Cedar sawdust, used as raw and untreated material, was incorporated into the mixture as a partial substitute for cement in varying proportions, ranging from 10% to 25% (by weight). The WCBs were cured for 28 days under ambient conditions. Physical properties including density, water absorption (WA), and thickness swelling (TS) were assessed, along with mechanical properties through flexural tests. The results showed that increasing cedar sawdust content decreased both density and mechanical performance while increasing WA and TS. Microstructural analysis (SEM and EDS) revealed significant porosity at higher sawdust contents, while lower contents had better matrix-reinforcement cohesion. Additionally, substantial levels of calcium and silicon were detected on the sawdust surface, indicating stabilized cement hydration products. These findings, supported by thermal (TGA and DSC) and FTIR analyses, clearly demonstrate that cement boards with 10% cedar sawdust exhibit favorable properties for non-structural applications, such as wall and partition cladding.

2.
Molecules ; 29(13)2024 Jun 28.
Artículo en Inglés | MEDLINE | ID: mdl-38999038

RESUMEN

This study focuses on synthesizing a new series of isoxazolinyl-1,2,3-triazolyl-[1,4]-benzoxazin-3-one derivatives 5a-5o. The synthesis method involves a double 1,3-dipolar cycloaddition reaction following a "click chemistry" approach, starting from the respective [1,4]-benzoxazin-3-ones. Additionally, the study aims to evaluate the antidiabetic potential of these newly synthesized compounds through in silico methods. This synthesis approach allows for the combination of three heterocyclic components: [1,4]-benzoxazin-3-one, 1,2,3-triazole, and isoxazoline, known for their diverse biological activities. The synthesis procedure involved a two-step process. Firstly, a 1,3-dipolar cycloaddition reaction was performed involving the propargylic moiety linked to the [1,4]-benzoxazin-3-one and the allylic azide. Secondly, a second cycloaddition reaction was conducted using the product from the first step, containing the allylic part and an oxime. The synthesized compounds were thoroughly characterized using spectroscopic methods, including 1H NMR, 13C NMR, DEPT-135, and IR. This molecular docking method revealed a promising antidiabetic potential of the synthesized compounds, particularly against two key diabetes-related enzymes: pancreatic α-amylase, with the two synthetic molecules 5a and 5o showing the highest affinity values of 9.2 and 9.1 kcal/mol, respectively, and intestinal α-glucosidase, with the two synthetic molecules 5n and 5e showing the highest affinity values of -9.9 and -9.6 kcal/mol, respectively. Indeed, the synthesized compounds have shown significant potential as antidiabetic agents, as indicated by molecular docking studies against the enzymes α-amylase and α-glucosidase. Additionally, ADME analyses have revealed that all the synthetic compounds examined in our study demonstrate high intestinal absorption, meet Lipinski's criteria, and fall within the required range for oral bioavailability, indicating their potential suitability for oral drug development.


Asunto(s)
Benzoxazinas , Inhibidores de Glicósido Hidrolasas , Simulación del Acoplamiento Molecular , alfa-Glucosidasas , Inhibidores de Glicósido Hidrolasas/farmacología , Inhibidores de Glicósido Hidrolasas/química , Inhibidores de Glicósido Hidrolasas/síntesis química , Benzoxazinas/química , Benzoxazinas/farmacología , Benzoxazinas/síntesis química , alfa-Glucosidasas/metabolismo , alfa-Glucosidasas/química , alfa-Amilasas Pancreáticas/antagonistas & inhibidores , alfa-Amilasas Pancreáticas/metabolismo , Reacción de Cicloadición , Estructura Molecular , Simulación por Computador , Hipoglucemiantes/química , Hipoglucemiantes/farmacología , Hipoglucemiantes/síntesis química , Humanos , Relación Estructura-Actividad , Compuestos Heterocíclicos/química , Compuestos Heterocíclicos/farmacología , Compuestos Heterocíclicos/síntesis química , alfa-Amilasas/antagonistas & inhibidores , alfa-Amilasas/metabolismo , alfa-Amilasas/química , Intestinos/enzimología
3.
Molecules ; 27(2)2022 Jan 13.
Artículo en Inglés | MEDLINE | ID: mdl-35056798

RESUMEN

Zizyphus lotus L. is a perennial shrub particularly used in Algerian folk medicine, but little is known concerning the lipophilic compounds in the most frequently used parts, namely, root bark, pulp, leaves and seeds, which are associated with health benefits. In this vein, the lipophilic fractions of these morphological parts of Z. lotus from Morocco were studied by gas chromatography-mass spectrometry (GC-MS), and their antiproliferative and antimicrobial activities were evaluated. GC-MS analysis allowed the identification and quantification of 99 lipophilic compounds, including fatty acids, long-chain aliphatic alcohols, pentacyclic triterpenic compounds, sterols, monoglycerides, aromatic compounds and other minor components. Lipophilic extracts of pulp, leaves and seeds were revealed to be mainly composed of fatty acids, representing 54.3-88.6% of the total compounds detected. The leaves and seeds were particularly rich in unsaturated fatty acids, namely, (9Z,12Z)-octadeca-9,12-dienoic acid (2431 mg kg-1 of dry weight) and (9Z)-octadec-9-enoic acid (6255 mg kg-1 of dry weight). In contrast, root bark contained a high content of pentacyclic triterpenic compounds, particularly betulinic acid, accounting for 9838 mg kg-1 of dry weight. Root bark extract showed promising antiproliferative activity against a triple-negative breast cancer cell line, MDA-MB-231, with a half-maximal inhibitory concentration (IC50) = 4.23 ± 0.18 µg mL-1 of extract. Leaf extract displayed interesting antimicrobial activity against Escherichia coli, methicillin-sensitive Staphylococcus aureus and Staphylococcus epidermis, presenting minimum inhibitory concentration (MIC) values from 1024 to 2048 µg mL-1 of extract. Our results demonstrate that Zizyphus lotus L. is a source of promising bioactive components, which can be exploited as natural ingredients in pharmaceutical formulations.


Asunto(s)
Antibacterianos/química , Antibacterianos/farmacología , Antineoplásicos Fitogénicos/química , Antineoplásicos Fitogénicos/farmacología , Extractos Vegetales/química , Extractos Vegetales/farmacología , Ziziphus/química , Alcoholes/análisis , Antibacterianos/análisis , Antineoplásicos Fitogénicos/análisis , Línea Celular Tumoral , Supervivencia Celular/efectos de los fármacos , Escherichia coli/efectos de los fármacos , Ácidos Grasos/análisis , Cromatografía de Gases y Espectrometría de Masas , Humanos , Pruebas de Sensibilidad Microbiana , Monoglicéridos/análisis , Marruecos , Extractos Vegetales/análisis , Staphylococcus aureus/efectos de los fármacos , Staphylococcus epidermidis/efectos de los fármacos , Esteroles/análisis , Triterpenos/análisis
4.
Molecules ; 23(10)2018 Oct 02.
Artículo en Inglés | MEDLINE | ID: mdl-30279368

RESUMEN

In Morocco, the recovery of olive agro-industrial by-products as potential sources of high-added value substances has been underestimated so far. A comprehensive quantitative characterization of olive leaves' bioactive compounds is crucial for any attempt to change this situation and to implement the valorization concept in emerging countries. Thus, the phenolic fraction of olive leaves of 11 varieties ('Arbequina', 'Hojiblanca', 'Frantoio', 'Koroneiki', 'Lechín', 'Lucque', 'Manzanilla', 'Picholine de Languedoc', 'Picholine Marocaine', 'Picual' and 'Verdal'), cultivated in the Moroccan Meknès region, was investigated. Thirty eight phenolic or related compounds (including 16 secoiridoids, nine flavonoids in their aglycone form, seven flavonoids in glycosylated form, four simple phenols, one phenolic acid and one lignan) were determined in a total of 55 samples by using ultrasonic-assisted extraction and liquid chromatography coupled to electrospray ionization-ion trap mass spectrometry (LC-ESI-IT MS). Very remarkable quantitative differences were observed among the profiles of the studied cultivars. 'Picholine Marocaine' variety exhibited the highest total phenolic content (around 44 g/kg dry weight (DW)), and logically showed the highest concentration in terms of various individual compounds. In addition, chemometrics (principal components analysis (PCA) and stepwise-linear discriminant analysis (s-LDA)) were applied to the quantitative phenolic compound data, allowing good discrimination of the selected samples according to their varietal origin.


Asunto(s)
Flavonoides/química , Olea/química , Fenoles/química , Hojas de la Planta/química , Flavonoides/aislamiento & purificación , Cromatografía de Gases y Espectrometría de Masas , Lignanos , Marruecos , Aceite de Oliva/química , Fenoles/aislamiento & purificación , Extractos Vegetales/química , Análisis de Componente Principal
5.
Acta Crystallogr E Crystallogr Commun ; 76(Pt 4): 576-580, 2020 Apr 01.
Artículo en Inglés | MEDLINE | ID: mdl-32280507

RESUMEN

The title compound, C17H12O4, was synthesized from the dye alizarin. The dihedral angle between the mean plane of the anthra-quinone ring system (r.m.s. deviation = 0.039 Å) and the dioxepine ring is 16.29 (8)°. In the crystal, the mol-ecules are linked by C-H⋯O hydrogen bonds, forming sheets lying parallel to the ab plane. The sheets are connected through π-π and C=O⋯π inter-actions to generate a three-dimensional supra-molecular network. Hirshfeld surface analysis was used to investigate inter-molecular inter-actions in the solid-state: the most important contributions are from H⋯H (43.0%), H⋯O/O⋯H (27%), H⋯C/C⋯H (13.8%) and C⋯C (12.4%) contacts.

6.
J Mol Neurosci ; 69(1): 17-27, 2019 Sep.
Artículo en Inglés | MEDLINE | ID: mdl-30637616

RESUMEN

Environmental factors such as pesticides are considered key determinants of brain damage and brain dysfunction. In the present work, we investigated the effect of an organophosphate pesticide, i.e., malathion, administrated peri- and postnatally on the antioxidant system as well as on acetylcholine esterase (AChE) activity in the brains of mice pups during the three postnatal weeks. Furthermore, we analyzed the behavior of the offspring just after weaning to assess the eventual effect of the pesticide on anxiety traits and social interaction. Concerning the biochemical biomarkers, the continuous treatment with malathion given either at a low dose of 5 mg/kg or at a medium one, 15 mg/kg, causes alterations in the activities of catalase, superoxide dismutase, glutathione S-transferase, and glutathione peroxidase, accompanied by high level of peroxidation of membrane lipids, indicating a disturbance in intracellular redox homeostasis with subsequent increased intracellular oxidative stress. The effect was more pronounced when the high dose was applied. This was also demonstrated for the activity of AChE, downregulated at all postnatal ages investigated (5, 15, and 21), whereas the low dose (5 mg/kg) did not alter this enzymatic activity which is in line with the absence of locomotor activity alteration as assessed by open field (OF). With regard to this last test, results obtained show also that the treated offspring mice develop an anxiogenic state as evidenced by open field as well as an impairment of social interaction. Altogether, these results provide an accurate characterization of the association between neurobehavioral outcomes and brain alterations following malathion administrated in gestational and lactational periods, even given at low dose, classified as safe, and indicate clearly that the developing brain is sensitively vulnerable to this organophosphate pesticide.


Asunto(s)
Insecticidas/toxicidad , Malatión/toxicidad , Síndromes de Neurotoxicidad/metabolismo , Efectos Tardíos de la Exposición Prenatal/metabolismo , Acetilcolinesterasa/metabolismo , Animales , Catalasa/metabolismo , Femenino , Glutatión Peroxidasa/metabolismo , Peroxidación de Lípido , Locomoción , Masculino , Ratones , Síndromes de Neurotoxicidad/etiología , Síndromes de Neurotoxicidad/fisiopatología , Embarazo , Efectos Tardíos de la Exposición Prenatal/inducido químicamente , Efectos Tardíos de la Exposición Prenatal/fisiopatología , Conducta Social , Superóxido Dismutasa/metabolismo , Destete
7.
Acta Crystallogr E Crystallogr Commun ; 71(Pt 12): o906-7, 2015 Dec 01.
Artículo en Inglés | MEDLINE | ID: mdl-26870520

RESUMEN

In the title compound, C14H13NOS2, the atoms of the allyl group are disordered over two sets of sites, with an occupancy ratio of 0.559 (10):0.441 (10). The rhodanine ring makes a dihedral angle of 5.51 (12)° with the mean plane through the p-tolyl group. There are no specific inter-molecular inter-actions in the crystal packing.

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