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1.
J Environ Sci (China) ; 150: 440-450, 2025 Apr.
Artigo em Inglês | MEDLINE | ID: mdl-39306419

RESUMO

Phase change absorbents based on amine chemical absorption for CO2 capture exhibit energy-saving potential, but generally suffer from difficulties in CO2 regeneration. Alcohol, characterized as a protic reagent with a low dielectric constant, can provide free protons to the rich phase of the absorbent, thereby facilitating CO2 regeneration. In this investigation, N-aminoethylpiperazine (AEP)/sulfolane/H2O was employed as the liquid-liquid phase change absorbent, with alcohol serving as the regulator. First, appropriate ion pair models were constructed to simulate the solvent effect of the CO2 products in different alcohol solutions. The results demonstrated that these ion pair products reached the maximum solvation-free energy (ΔEsolvation) in the rich phase containing ethanol (EtOH). Desorption experiment results validated that the inclusion of EtOH led to a maximum regeneration rate of 0.00763 mol/min, thus confirming EtOH's suitability as the preferred regulator. Quantum chemical calculations and 13C NMR characterization were performed, revealing that the addition of EtOH resulted in the partial conversion of AEP-carbamate (AEPCOO-) into a new product known as ethyl carbonate (C2H5OCOO-), which enhanced the regeneration reactivity. In addition, the decomposition paths of different CO2 products were simulated visually, and every reaction's activation energy (ΔEact) was calculated. Remarkably, the ΔEact for the decomposition of C2H5OCOO- (9.465 kJ/mol) was lower than that of the AEPCOO- (26.163 kJ/mol), implying that CO2 was more likely to be released. Finally, the regeneration energy consumption of the alcohol-regulated absorbent was estimated to be only 1.92 GJ/ton CO2, which had excellent energy-saving potential.


Assuntos
Dióxido de Carbono , Dióxido de Carbono/química , Etanol/química , Modelos Químicos
2.
J Ethnopharmacol ; 336: 118731, 2025 Jan 10.
Artigo em Inglês | MEDLINE | ID: mdl-39182698

RESUMO

ETHNOPHARMACOLOGICAL RELEVANCE: Calyptrochilum emarginatum (Afzel. Ex Sw.) Schltr. (Orchidaceae) is a traditional medicinal plant known for its antimicrobial properties and efficacy in managing convulsive fever and menstrual disorders and addressing conditions such as malaria, tuberculosis, and cough. AIM OF THE STUDY: The study aims to examine the memory-enhancing and neuroprotective properties of ethanol extract of Calyptrochilum emarginatum leaves (EECEL) in scopolamine-induced amnesia mice model. MATERIALS AND METHODS: Forty-two male mice were divided into six groups (n = 7). Group 1 served as control, administered distilled water (10 mL/kg, p. o), group 2 received scopolamine only (3 mg/kg, i. p.), groups 3 to 6 received pretreatments of EECEL (50, 100, and 200 mg/kg, p. o.) and donepezil (1 mg/kg, p. o.) 30 min before scopolamine (3 mg/kg), for seven days. Following treatments, behavioral (learning and memory) assessments were carried out, while biochemical (acetylcholinesterase activity, oxidative stress markers, inflammatory cytokines markers) and histological evaluations were done after euthanasia. RESULTS: Scopolamine significantly impaired spatial, long term and recognition memory. Nevertheless, administration of EECEL (50, 100, and 200 mg/kg orally) enhanced memory function in mice, as observed in the Y maze [F (5, 30) = 20.23, p < 0.0001], Morris water maze [F (10, 90) = 3.105, p = 0.0019; [F (5, 30) = 21.13, p < 0.0001]], and novel object recognition tasks [F (5, 30) = 37.22, p < 0.0001)]. Scopolamine-treated mice exhibited significant dysfunction in the cholinergic system, as evidenced by elevated AChE activity [0.099 ± 0.005 vs. 0.063 ± 0.004 mol/min/g] with an elevation in oxidative stress. On the other hand, administration of EECEL counteracted these consequences by reducing AChE activity, mitigating oxidative damage, reducing pro-inflammatory cytokines, and preventing degeneration of neurons. CONCLUSION: The results demonstrated that EECEL effectively mitigates scopolamine-induced memory impairment via an oxido-inflammatory mechanism and modulation of the central cholinergic system.


Assuntos
Amnésia , Etanol , Fármacos Neuroprotetores , Orchidaceae , Extratos Vegetais , Folhas de Planta , Escopolamina , Animais , Masculino , Extratos Vegetais/farmacologia , Extratos Vegetais/uso terapêutico , Camundongos , Amnésia/tratamento farmacológico , Amnésia/induzido quimicamente , Etanol/química , Fármacos Neuroprotetores/farmacologia , Fármacos Neuroprotetores/uso terapêutico , Fármacos Neuroprotetores/isolamento & purificação , Orchidaceae/química , Estresse Oxidativo/efeitos dos fármacos , Acetilcolinesterase/metabolismo , Aprendizagem em Labirinto/efeitos dos fármacos , Modelos Animais de Doenças , Memória/efeitos dos fármacos , Solventes/química , Donepezila/farmacologia , Donepezila/uso terapêutico
3.
J Environ Sci (China) ; 149: 598-615, 2025 Mar.
Artigo em Inglês | MEDLINE | ID: mdl-39181671

RESUMO

Catalytic hydrogenation of CO2 to ethanol is a promising solution to address the greenhouse gas (GHG) emissions, but many current catalysts face efficiency and cost challenges. Cobalt based catalysts are frequently examined due to their abundance, cost-efficiency, and effectiveness in the reaction, where managing the Co0 to Coδ+ ratio is essential. In this study, we adjusted support nature (Al2O3, MgO-MgAl2O4, and MgO) and reduction conditions to optimize this balance of Co0 to Coδ+ sites on the catalyst surface, enhancing ethanol production. The selectivity of ethanol reached 17.9% in a continuous flow fixed bed micro-reactor over 20 mol% Co@MgO-MgAl2O4 (CoMgAl) catalyst at 270 °C and 3.0 MPa, when reduced at 400 °C for 8 h. Characterisation results coupled with activity analysis confirmed that mild reduction condition (400 °C, 10% H2 balance N2, 8 h) with intermediate metal support interaction favoured the generation of partially reduced Co sites (Coδ+ and Co0 sites in single atom) over MgO-MgAl2O4 surface, which promoted ethanol synthesis by coupling of dissociative (CHx*)/non-dissociative (CHxO*) intermediates, as confirmed by density functional theory analysis. Additionally, the CoMgAl, affordably prepared through the coprecipitation method, offers a potential alternative for CO2 hydrogenation to yield valuable chemicals.


Assuntos
Dióxido de Carbono , Cobalto , Etanol , Dióxido de Carbono/química , Etanol/química , Hidrogenação , Cobalto/química , Catálise , Nanopartículas/química , Modelos Químicos
4.
PDA J Pharm Sci Technol ; 78(5): 560-571, 2024 Oct 22.
Artigo em Inglês | MEDLINE | ID: mdl-39438117

RESUMO

The analysis of extractables and leachables and subsequent risk assessment is an important aspect of the determination of biocompatibility for many medical devices. Leachable chemicals have the potential to pose a toxicological risk to patients, and therefore it is required that they be adequately characterized and assessed for potential safety concerns. One important consideration in the assessment of leachables is the choice of a suitable simulating solvent intended to replicate the use condition for the device and its biological environment. This aspect of study design is especially difficult for blood-contacting medical devices due to the complexity of simulating the biological matrix. This publication reports a comparison of the extracting power of different binary solvent mixtures and saline in comparison with whole blood for a bloodline tubing set connected to a hemodialyzer. Ten different known extractables, spanning a range of physicochemical properties and molecular weights, were quantified. The results indicated that for low-molecular-weight analytes, a suitable exaggeration for whole blood can be obtained using a low-concentration ethanol/water mixture (≈20%), and in general, extracted quantity increases with the concentration of alcohol cosolvent. For polyvinylpyrrolidone, the opposite trend was observed, as solubility of the polymer was found to decrease with increasing alcohol concentration, resulting in lower extracted quantities at high alcohol concentrations. Analysis of ethanol/water concentrations in the extract solutions post extraction indicated no change in solvent composition.


Assuntos
Etanol , Solventes , Água , Solventes/química , Água/química , Etanol/química , Humanos , Povidona/química , Solubilidade , Peso Molecular , Equipamentos e Provisões
5.
F1000Res ; 13: 489, 2024.
Artigo em Inglês | MEDLINE | ID: mdl-39429642

RESUMO

Background: The prevalence of diabetes mellitus (DM) is increasing overtime, potentially leading to various severe health complications and mortality. Despite therapeutic agents have currently been developed, unexpected adverse effects are inevitable. Hence, safe and effective medications such as those of plant origin are critical to prevent unexpected complication in DM sufferers. Etlingera elatior has been widely used as spice and traditional medicine to treat diabetes in Aceh Province, Indonesia. However, study regarding α-glucosidase inhibitory effect of E. elatior growing in Gayo highlands, Aceh, Indonesia, is completely lacking. The aim of this study was to evaluate in vitro α-glucosidase inhibitory effect of E. elatior ethanol extracts (EEEE) growing in Gayo highlands, Aceh Province, Indonesia. Methods: Antioxidant activity was determined using DPPH procedure, whereas α-glucosidase inhibition assay was carried out using spectrophotometric method. Data analysis was performed using One-Way Analysis of Variance (ANOVA), followed by Duncan's multiple range test at α=0.05. Results: Phytochemical analysis revealed the presence of total phenolic (TPC), total flavonoid (TFC), and total tannin (TTC) content in all E. elatior plant parts, in which the highest TPC was found in the stem (158.38 GAE/g), whereas the highest TFC and TTC was obtained in the rhizome extracts. The extract of fruit showed the strongest antioxidant activities, followed by the stem and leaf, with IC 50 of 2.381 µg/mL, 6.966 µg/mL, and 19.365 µg/mL, respectively. All E. elatior extracts revealed a significant inhibitory activity against α-glucosidase at the concentration of 500 µg/mL, in which the stem extract showed the most effective α-glucosidase inhibitory effect with IC 50 value of 5.15 µg/mL, suggesting its promising potential as antidiabetic agent. Conclusions: This study highlights E. elatior potency as a novel source of antioxidant and natural antidiabetic compounds that are useful for the prevention and treatment of diabetes.


Assuntos
Antioxidantes , Etanol , Inibidores de Glicosídeo Hidrolases , Extratos Vegetais , Inibidores de Glicosídeo Hidrolases/farmacologia , Extratos Vegetais/farmacologia , Indonésia , Etanol/química , Antioxidantes/farmacologia , alfa-Glucosidases/metabolismo , Flavonoides/análise , Flavonoides/farmacologia , Fenóis/análise
6.
Molecules ; 29(19)2024 Oct 04.
Artigo em Inglês | MEDLINE | ID: mdl-39407632

RESUMO

Two ethanol-solvated adipate and succinate salts of carvedilol (CVD), a Biopharmaceutics Classification System class 2 drug, were synthesized by crystallizing ethanol with adipic acid (ADP) and succinic acid (SUA). Proton transfer from ADP and SUA to CVD and the presence of ethanol in the two novel compounds were confirmed using powder X-ray diffraction, Fourier transform infrared spectroscopy, differential scanning calorimetry, thermogravimetric analysis, and single-crystal X-ray diffraction measurements. The two novel ethanol-solvated salts exhibited enhanced solubility and dissolution rates compared with pure carvedilol in phosphate buffer (pH 6.8). Additionally, the morphologies and attachment energies of the two novel compounds and pure CVD were calculated based on their single-crystal structures, revealing a correlation between attachment energy and dissolution rate.


Assuntos
Adipatos , Carvedilol , Etanol , Solubilidade , Carvedilol/química , Adipatos/química , Etanol/química , Espectroscopia de Infravermelho com Transformada de Fourier , Cristalografia por Raios X , Difração de Raios X , Varredura Diferencial de Calorimetria , Ácido Succínico/química , Sais/química , Termogravimetria , Estrutura Molecular , Cristalização , Propanolaminas/química
7.
Oxid Med Cell Longev ; 2024: 2812290, 2024.
Artigo em Inglês | MEDLINE | ID: mdl-39411276

RESUMO

Diabetes mellitus is associated with chronic wound-healing problems that significantly impact patients' quality of life and substantially increase expenditure on healthcare. Therefore, the identification of compounds that can aid healing is justified. Anredera cordifolia (Ten.) has been used in folk medicine for curative purposes; however, the causal mechanisms underlying its healing effects remain to be elucidated. In this study, the effect of the ethanolic extract of A. cordifolia was evaluated in an in vitro healing model using fibroblasts cultivated under normoglycemic and hyperglycemic environments. The extract was predominantly composed of phytol and exhibited genoprotective activity. Fibroblast migration attenuated the adverse effects of hyperglycemia, favoring cell proliferation. Collagen levels were significantly increased in ruptured fibroblasts under both standard and hyperglycemic environments. The phytogenomic effect of the extract on three genes related to extracellular matrix formation, maintenance, and degradation showed that A. cordifolia increased the expression of genes related to matrix synthesis and maintenance in both normoglycemic and hyperglycemic individuals. Furthermore, it reduced the expression of genes related to matrix degradation. Overall, this is the first study to demonstrate the effectiveness of A. cordifolia in wound healing, elucidating possible causal mechanisms that appear to be based on the genoprotective effect of this plant on the migratory and proliferative phases of the wound healing process; these effects are probably related to phytol, its main constituent.


Assuntos
Movimento Celular , Proliferação de Células , Fibroblastos , Hiperglicemia , Extratos Vegetais , Cicatrização , Proliferação de Células/efeitos dos fármacos , Movimento Celular/efeitos dos fármacos , Extratos Vegetais/farmacologia , Fibroblastos/efeitos dos fármacos , Fibroblastos/metabolismo , Cicatrização/efeitos dos fármacos , Humanos , Hiperglicemia/tratamento farmacológico , Etanol/química , Diabetes Mellitus/tratamento farmacológico
8.
Proc Natl Acad Sci U S A ; 121(42): e2408273121, 2024 Oct 15.
Artigo em Inglês | MEDLINE | ID: mdl-39388268

RESUMO

The concurrent preservation of morphological, structural, and genomic attributes within biological samples is paramount for comprehensive insights into biological phenomena and disease mechanisms. However, current preservation methodologies (e.g., cryopreservation, chemical reagent fixation, and bioplasticization) exhibit limitations in simultaneously achieving these critical combined goals. To address this gap, inspired by natural fossilization, here we propose "deep silicification," a room temperature technology that eliminates fixation requirements and overcomes the cold chain problem. By harnessing the synergy between ethanol and dimethyl sulfoxide, deep silicification significantly enhances silica penetration and accumulation within bioorganisms, thereby reinforcing structural integrity. This versatile and cost-effective approach demonstrates remarkable efficacy in preserving organismal morphology across various scales. Accelerated aging experiments underscore a 4,723-fold enhancement in genomic information storage over millennia, with whole-genome sequencing confirming nearly 100% fidelity. With its simplicity and reliability, "deep silicification" represents a paradigm shift in biological sample storage.


Assuntos
Genômica , Genômica/métodos , Animais , Dióxido de Silício/química , Dimetil Sulfóxido/química , Humanos , Preservação Biológica/métodos , Etanol/química
9.
PLoS One ; 19(10): e0308365, 2024.
Artigo em Inglês | MEDLINE | ID: mdl-39361558

RESUMO

A novel nickel-molybdenum carbide-graphite nanofiber composite is introduced as an electrocatalyst for ethanol electrooxidation. The proposed nanofibers have been prepared by calcinating electrospun nanofibers composed of nickel acetate tetrahydrate, molybdenum chloride, and polyvinyl alcohol. The calcination process was conducted at different temperatures (700, 850, and 1000°C) under a nitrogen gas atmosphere with a heating rate of 2.5 deg/min and a holding time of 5 h. Physicochemical characterizations have indicated that nickel acetate is entirely reduced to nickel metal during the sintering process, and molybdenum has bonded with carbon to produce molybdenum carbide. At the same time, the used polymer has been pyrolyzed to produce a carbon nanofiber matrix embedding formed inorganic nanoparticles. Electrochemical measurements concluded that molybdenum content and calcination temperature should be controlled to maximize the electrocatalytic activity of the proposed catalyst. Typically, the oxidation peak current density was 28.5, 28.8, 51.5, 128.3, 25.6, and 3 mA/cm2 for nanofibers prepared from an electrospun solution containing 0, 5, 10, 15, 25, and 35 wt% molybdenum carbide, respectively. Moreover, it was observed that increasing the calcination temperature distinctly improves the electrocatalytic activity. Kinetic studies have indicated that the reaction order is close to zero with a reaction temperature-dependent value. Moreover, it was detected that the electrooxidation reaction of ethanol over the proposed nanofiber composite follows the Arrhenius equation. The determined activation energy is 33 kJ/mol, which indicates good catalytic activity for the introduced nanofibers. Through the application of a set of visualization-based tools and the general linear model (GLM), the optimal conditions that generate the highest current density were identified. The computations unveiled that the optimal parameter settings are as follows: Mo content at 15 wt.%, methanol concentration of 1.55 M, and reaction temperature of 59°C.


Assuntos
Etanol , Grafite , Molibdênio , Nanofibras , Níquel , Oxirredução , Molibdênio/química , Níquel/química , Etanol/química , Nanofibras/química , Grafite/química , Catálise , Técnicas Eletroquímicas/métodos
10.
Pak J Pharm Sci ; 37(5): 927-938, 2024 Sep.
Artigo em Inglês | MEDLINE | ID: mdl-39369442

RESUMO

The progressive form of Alzheimer's disease (AD) is a neurological condition marked by decline in older people's memory and cognition. Scopolamine is a behavioral technique that is frequently used to study cognitive disorders, such as Alzheimer's disease. This investigation aimed to determine the protective effects of ethanolic extracts derived from Sterculia guttata (ESG) on neurological & pathological changes induced by Scopolamine in rats with Alzheimer's. The ESG procured through a 48-hour hot maceration, followed by column chromatography, isolation and characterization using techniques such as FTIR, 1HNMR, 13CNMR and mass spectra. A flavonoid called Diosmin was identified in the extract. Rats were segregated into five groups: normal, scopolamine, scopolamine + Donepezil, scopolamine + ESG (200mg per kg orally), & scopolamine + ESG (400mg per kg orally) for a study of 14 day duration. Memory & learning abilities were assessed using the rectangular maze and Cook's pole climbing model. Additionally, biochemical parameters and brain histology were analyzed. ESG treatment mitigated scopolamine-induced changes in acetylcholinesterase, dopamine, serotonin, glutamate, and GABA levels, suggesting neuroprotection. These findings propose that ethanolic extracts of Sterculia guttata (ESG) show promise as effective preventive or therapeutic agents due to their potential for neuroprotection & cognitive enhancement in AD.


Assuntos
Doença de Alzheimer , Disfunção Cognitiva , Etanol , Fármacos Neuroprotetores , Extratos Vegetais , Escopolamina , Sterculia , Animais , Doença de Alzheimer/tratamento farmacológico , Doença de Alzheimer/induzido quimicamente , Extratos Vegetais/farmacologia , Extratos Vegetais/isolamento & purificação , Fármacos Neuroprotetores/farmacologia , Fármacos Neuroprotetores/isolamento & purificação , Etanol/química , Masculino , Disfunção Cognitiva/tratamento farmacológico , Disfunção Cognitiva/induzido quimicamente , Disfunção Cognitiva/prevenção & controle , Ratos , Sterculia/química , Modelos Animais de Doenças , Memória/efeitos dos fármacos , Aprendizagem em Labirinto/efeitos dos fármacos , Ratos Wistar , Encéfalo/efeitos dos fármacos , Encéfalo/patologia , Encéfalo/metabolismo , Donepezila/farmacologia
11.
Pak J Pharm Sci ; 37(5): 969-974, 2024 Sep.
Artigo em Inglês | MEDLINE | ID: mdl-39460962

RESUMO

This study evaluates how the ethanolic areal extract of Crateagus azarolus affects the biochemical and functional characteristics of the liver, kidney and serum. Two groups of albino male rats (n1=6, n2=6), were given 400 mg/kg of C. azarolus ethanolic extract orally daily for two weeks, whereas the control group was given saline. The animals' necks were translocated, blood samples collected and the liver, kidney and heart removed and their relative organ weight (ROW) calculated. Analysis of serum parameters showed that liver enzyme ALT and AST increased significantly (58%) in C. azarolus treated group, whereas ALP and total bilirubin dropped (27%, 50% respectively). Changes in Kidney parameters were noticeably reduced. Lipase activity and creatinine decreased dramatically (56%, 77% respectively). Besides insulin level increased 10% compared to 17% reduction in glucose. Lipid parameters were also changed in the treated animals. Reduction in cholesterol (20%), triglycerides (30%), LDL (23%) whereas HDL increased 14%. The ROW for liver and heart reduced significantly. In conclusion, oral treatment with 400mg/kg of the ethanolic extract of areal parts of C. azarolus did not show a significant effect on the functional parameters and markers of liver enzymes, kidney and serum biochemical components, however lipid profile indices were improved.


Assuntos
Etanol , Rim , Fígado , Extratos Vegetais , Animais , Extratos Vegetais/farmacologia , Masculino , Fígado/efeitos dos fármacos , Fígado/metabolismo , Rim/efeitos dos fármacos , Rim/metabolismo , Ratos , Etanol/química , Lipídeos/sangue , Glicemia/efeitos dos fármacos , Glicemia/metabolismo , Biomarcadores/sangue , Tamanho do Órgão/efeitos dos fármacos , Solventes/química , Ratos Wistar
12.
Sensors (Basel) ; 24(20)2024 Oct 10.
Artigo em Inglês | MEDLINE | ID: mdl-39460006

RESUMO

For this article, a low-cost, compact, and flexible inkjet-printed electromagnetic sensor was investigated for its chemical and biomedical applications. The investigated sensor design was used to estimate variations in the concentration of chemicals (ethanol and methanol) and biochemicals (hydrocortisone-a chemical derivative of cortisol, a biomarker of stress and cardiovascular effects). The proposed design's sensitivity was further improved by carefully choosing the frequency range (0.5-4 GHz), so that the analyzed samples showed approximately linear variations in their dielectric properties. The dielectric properties were measured using a vector network analyzer (VNA) and an Agilent 85070E Dielectric Probe Kit. The sensor design had a resonant frequency at 2.2 GHz when investigated without samples, and a consistent shift in resonant frequency was observed, with variation in the concentrations of the investigated chemicals. The sensitivity of the designed sensor is decent and is comparable to its non-flexible counterparts. Furthermore, the simulation and measured results were in agreement and were comparable to similar investigated sensor prototypes based on non-flexible Rogers substrates (Rogers RO4003C) and Rogers Droid/RT 5880), demonstrating true potential for chemical, biomedical applications, and healthcare.


Assuntos
Nanopartículas Metálicas , Prata , Prata/química , Nanopartículas Metálicas/química , Técnicas Biossensoriais/métodos , Técnicas Biossensoriais/instrumentação , Fenômenos Eletromagnéticos , Etanol/química , Etanol/análise , Impressão , Hidrocortisona/química , Hidrocortisona/análise , Metanol/química , Polietilenotereftalatos/química
13.
AAPS PharmSciTech ; 25(8): 253, 2024 Oct 23.
Artigo em Inglês | MEDLINE | ID: mdl-39443400

RESUMO

The granulation of traditional Chinese medicine (TCM) has attracted widespread attention, there is limited research on the high shear wet granulation (HSWG) and wetting mechanisms of sticky TCM powders, which profoundly impact the granule size distribution (GSD). Here we investigate the wetting mechanism of binders and the influence of various parameters on the GSD of HSWG and establish a GSD prediction model. Permeability and contact angle experiments combined with molecular dynamics (MD) simulations were used to explore the wetting mechanism of hydroalcoholic solutions with TCM powder. Machine learning (ML) was employed to build a GSD prediction model, feature importance explained the influence of features on the predictive performance of the model, and correlation analysis was used to assess the influence of various parameters on GSD. The results show that water increases powder viscosity, forming high-viscosity aggregates, while ethanol primarily acted as a wetting agent. The contact angle of water on the powder bed was the largest and decreased with an increase in ethanol concentration. Extreme Gradient Boosting (XGBoost) outperformed other models in overall prediction accuracy in GSD prediction, the binder had the greatest impact on the predictions and GSD, adjusting the amount and concentration of adhesive can control the adhesion and growth of granules while the impeller speed had the least influence on granulation. The study elucidates the wetting mechanism and provides a GSD prediction model, along with the impact of material properties, formulation, and process parameters obtained, aiding the intelligent manufacturing and formulation development of TMC.


Assuntos
Aprendizado de Máquina , Tamanho da Partícula , Pós , Água , Molhabilidade , Pós/química , Viscosidade , Água/química , Simulação de Dinâmica Molecular , Química Farmacêutica/métodos , Composição de Medicamentos/métodos , Medicamentos de Ervas Chinesas/química , Medicina Tradicional Chinesa/métodos , Excipientes/química , Permeabilidade , Tecnologia Farmacêutica/métodos , Etanol/química
14.
Mar Drugs ; 22(10)2024 Oct 10.
Artigo em Inglês | MEDLINE | ID: mdl-39452873

RESUMO

Numerous studies have reported that mono-(2-ethylhexyl) phthalate (MEHP) (bioactive metabolite of Di(2-ethylhexyl) phthalate) has inhibitory effects on Leydig cells. This study aims to prepare an oyster peptide-zinc complex (PEP-Zn) to alleviate MEHP-induced damage in Leydig cells. Zinc-binding peptides were obtained through the following processes: zinc-immobilized affinity chromatography (IMAC-Zn2+), liquid chromatography-mass spectrometry technology (LC-MS/MS) analysis, molecular docking, molecular dynamic simulation, and structural characterization. Then, the Zn-binding peptide (PEP) named Glu-His-Ala-Pro-Asn-His-Asp-Asn-Pro-Gly-Asp-Leu (EHAPNHDNPGDL) was identified. EHAPNHDNPGDL showed the highest zinc-chelating ability of 49.74 ± 1.44%, which was higher than that of the ethanol-soluble oyster peptides (27.50 ± 0.41%). In the EHAPNHDNPGDL-Zn complex, Asn-5, Asp-7, Asn-8, His-2, and Asp-11 played an important role in binding to the zinc ion. Additionally, EHAPNHDNPGDL-Zn was found to increase the cell viability, significantly increase the relative activity of antioxidant enzymes and testosterone content, and decrease malondialdehyde (MDA) content in MEHP-induced TM3 cells. The results also indicated that EHAPNHDNPGDL-Zn could alleviate MEHP-induced apoptosis by reducing the protein level of p53, p21, and Bax, and increasing the protein level of Bcl-2. These results indicate that the zinc-chelating peptides derived from oyster peptides could be used as a potential dietary zinc supplement.


Assuntos
Quelantes , Dietilexilftalato , Células Intersticiais do Testículo , Simulação de Acoplamento Molecular , Ostreidae , Peptídeos , Zinco , Células Intersticiais do Testículo/efeitos dos fármacos , Células Intersticiais do Testículo/metabolismo , Animais , Zinco/química , Masculino , Quelantes/farmacologia , Quelantes/química , Peptídeos/farmacologia , Peptídeos/química , Ostreidae/química , Camundongos , Dietilexilftalato/toxicidade , Dietilexilftalato/análogos & derivados , Dietilexilftalato/farmacologia , Apoptose/efeitos dos fármacos , Etanol/química , Sobrevivência Celular/efeitos dos fármacos , Linhagem Celular
15.
AAPS PharmSciTech ; 25(7): 201, 2024 Sep 05.
Artigo em Inglês | MEDLINE | ID: mdl-39235493

RESUMO

Percutaneous delivery is explored as alternative pathway for addressing the drawbacks associated with the oral administration of otherwise efficacious drugs. Short of breaching the skin by physical means, the preference goes to formulation strategies that augment passive diffusion across the skin. One such strategy lies in the use of skin penetration and permeation enhancers notably of hydroxylated solvents like propylene glycol (PG), ethanol (EtOH), and diethylene glycol monoethyl ether (Transcutol®, TRC). In a previous publication, we focused on the role of Transcutol® as enhancer in neat or diluted systems. Herein, we explore its' role in complex formulation systems, including patches, emulsions, vesicles, solid lipid nanoparticles, and micro or nanoemulsions. This review discusses enhancement mechanisms associated with hydroalcoholic solvents in general and TRC in particular, as manifested in multi-component formulation settings alongside other solvents and enhancers. The principles that govern skin penetration and permeation, notably the importance of drug diffusion due to solubilization and thermodynamic activity in the vehicle (formulation), drug solubilization and partitioning in the stratum corneum (SC), and/or solvent drag across the skin into deeper tissue for systemic absorption are discussed. Emphasized also are the interplay between the drug properties, the skin barrier function and the formulation parameters that are key to successful (trans)dermal delivery.


Assuntos
Administração Cutânea , Etilenoglicóis , Permeabilidade , Absorção Cutânea , Pele , Solventes , Absorção Cutânea/fisiologia , Absorção Cutânea/efeitos dos fármacos , Etilenoglicóis/química , Humanos , Pele/metabolismo , Animais , Solventes/química , Química Farmacêutica/métodos , Solubilidade , Sistemas de Liberação de Medicamentos/métodos , Emulsões/química , Nanopartículas/química , Etanol/química , Etanol/administração & dosagem
16.
Mar Drugs ; 22(9)2024 Aug 30.
Artigo em Inglês | MEDLINE | ID: mdl-39330276

RESUMO

Cyclophosphamide (CP) is an anticancer drug that causes infertility disorders. This study was designed to evaluate a nanoformulation of chitosan with an ethanolic extract from Spirulina platensis in terms of its protection against cyclophosphamide-induced ovarian toxicity. Nine groups of female Wistar rats were randomly assigned as follows: 1: control vehicle, 2: chitosan polymer, 3: telmisartan, 4: Spirulina platensis extract, 5: nanoformulation of the Spirulina platensis, and 6: single injection of CP; groups 7, 8, and 9 received the same treatments as those used in groups 3, 4, and 5, respectively, with a single dose of CP (200 mg/kg, I.P). The results displayed that the CP treatment decreased estradiol, progesterone, anti-mullerian hormone, and GSH content, and it downregulated PPAR-γ, Nrf-2, and HO-1 gene expression. In addition, the CP treatment caused an increase in the FSH, LH, and MDA levels. In the same manner, the protein expression of caspase-3, NF-kB, and TNF-α was upregulated in response to the CP treatment, while PPAR-γ was downregulated in comparison with the control. The rats treated with SPNPs exhibited a substantial reduction in the detrimental effects of oxidative stress and inflammation of the ovarian tissue. This study's conclusions showed that SPNPs counteracted the effects of CP, preventing the death of ovarian follicles and restoring the gonadotropin hormone balance and normal ovarian histological appearance.


Assuntos
Quitosana , Ciclofosfamida , Fator 2 Relacionado a NF-E2 , NF-kappa B , Ovário , PPAR gama , Fator de Necrose Tumoral alfa , Animais , Feminino , Ratos , Quitosana/química , Quitosana/farmacologia , Ciclofosfamida/toxicidade , Etanol/química , Heme Oxigenase (Desciclizante)/metabolismo , Fator 2 Relacionado a NF-E2/metabolismo , NF-kappa B/metabolismo , Ovário/efeitos dos fármacos , Ovário/patologia , Ovário/metabolismo , Estresse Oxidativo/efeitos dos fármacos , PPAR gama/metabolismo , Ratos Wistar , Transdução de Sinais/efeitos dos fármacos , Spirulina , Fator de Necrose Tumoral alfa/metabolismo
17.
J Mol Graph Model ; 133: 108864, 2024 Dec.
Artigo em Inglês | MEDLINE | ID: mdl-39293200

RESUMO

Ethanol and water are the primary components of liquor. In this study, molecular dynamics (MD) simulations and density functional theory (DFT) were used to model ethanol-water clusters and infer possible structures of ethanol-water solutions. Nuclear magnetic resonance (NMR) and density of states analysis were employed to confirm the existence of clusters and further describe their properties. By comparing binding energies and calculating coordination numbers, we found that the ethanol-water solution with a molecular ratio of 1:2 forms three stable clusters. Under ideal conditions, the cluster ratio is approximately 1:1:6. Generally, the clusters undergo continuous splitting and recombination.


Assuntos
Teoria da Densidade Funcional , Etanol , Simulação de Dinâmica Molecular , Água , Água/química , Etanol/química , Espectroscopia de Ressonância Magnética/métodos , Bebidas Alcoólicas
18.
Int J Pharm ; 665: 124737, 2024 Nov 15.
Artigo em Inglês | MEDLINE | ID: mdl-39307443

RESUMO

The removal of residual solvents from biodegradable poly(D,L-lactide-co-glycolide) (PLGA) microparticles by fluidized bed drying was investigated. Microparticles were prepared by the O/W solvent extraction/evaporation method and the influence of various process and formulation parameters on the secondary drying was studied. PLGA microparticles and films were characterized for residual organic solvent and water content, recrystallisation, surface morphology, drug loading and in-vitro release of the drugs dexamethasone and risperidone. While alcohol-free fluidized bed drying decreased the residual dichloromethane content only from about 7 % (w/w) to 6.4 % (w/w) (18 °C) or 3.2 % (w/w) (35 °C) within 24 h, 140 mg/L methanol vapor in purge gas facilitated almost complete removal of dichloromethane or ethyl acetate from microparticles (0-0.11 % (w/w) after 6 h). By controlling the alcohol concentration and temperature of the purge gas, the alcohol absorption and complete removal was controlled. Risperidone increased the methanol absorption enhancing the plasticization. A high initial residual water content was identified to promote aggregation and was eliminated by starting fluidized bed drying without alcohol. Alcohol vapor-assisted fluidized bed drying accelerated microparticle manufacturing without affecting the redispersibility, the drug loading and the in-vitro release of risperidone and dexamethasone.


Assuntos
Dessecação , Dexametasona , Copolímero de Ácido Poliláctico e Ácido Poliglicólico , Risperidona , Solventes , Solventes/química , Copolímero de Ácido Poliláctico e Ácido Poliglicólico/química , Dexametasona/química , Dessecação/métodos , Risperidona/química , Liberação Controlada de Fármacos , Ácido Poliglicólico/química , Ácido Láctico/química , Etanol/química , Cloreto de Metileno/química , Tamanho da Partícula , Água/química
19.
Phys Chem Chem Phys ; 26(39): 25567-25580, 2024 Oct 09.
Artigo em Inglês | MEDLINE | ID: mdl-39329395

RESUMO

We conducted a DFT study of the B2N monolayer pairing with the O-containing volatile organic compounds (O-containing VOCs) in exhaled breath, viz. acetone, ethanol, methanol, and formaldehyde. The most stable configuration of O-containing VOCs on the B2N sheet is also considered and compared with the adsorbed H2O on the desired monolayer. The adsorption energy when both water and O-containing VOC molecules are present shows that the O-containing VOC molecules can be effectively adsorbed on the surface of B2N while maintaining stability in the presence of water molecules. The adsorption energy values for the most stable acetone/B2N, ethanol/B2N, methanol/B2N, formaldehyde/B2N, and H2O/B2N complexes are -0.50, -0.61, -0.56, -0.87, and -0.41 eV, respectively. The computed recovery time at 300 K for the desired complexes without radiation ranges from 2.6 × 10-4 to 440 seconds. Using non-equilibrium Green's function, the electrical current is calculated separately as a function of applied bias voltage of 0-2 volts for each O-containing VOC. The percentage increase in the band gap of the desired B2N sheet is 5, 19, 25, and 35% upon interaction with methanol, formaldehyde, acetone, and ethanol, respectively. These findings highlight the notable sensing capabilities of the desired B2N sheet when compared to other sensors such as the BC6N sheet, pristine MoSe2 monolayer, and phosphorene. Moreover, these findings may have implications for the potential use of B2N nanosheets for the detection of O-containing VOCs in human breath, enabling early disease diagnosis.


Assuntos
Teoria da Densidade Funcional , Compostos Orgânicos Voláteis , Adsorção , Humanos , Compostos Orgânicos Voláteis/química , Compostos Orgânicos Voláteis/análise , Testes Respiratórios , Formaldeído/química , Acetona/química , Etanol/química , Metanol/química , Água/química , Propriedades de Superfície
20.
J Diabetes Res ; 2024: 5497320, 2024.
Artigo em Inglês | MEDLINE | ID: mdl-39329045

RESUMO

Diabetes mellitus is a metabolic disorder. Synthetic antidiabetics are the commonly used treatment options associated with complications. The objective of this study was to explore the antioxidative and antidiabetic potential of Euphorbia helioscopia whole plant ethanolic extract using in vitro and in vivo models. For that purpose, the antioxidative potential was explored by using 2,2-diphenyl-1-picrylhydrazyl analysis. In vitro antidiabetic potential of the extract was evaluated using amylase inhibitory analysis. In vivo antidiabetic activity of the extract was assessed in diabetic rats using streptozotocin/nicotinamide (60 mg/kg/120 mg/kg) as an inducing agent. Metformin was used as standard. The results indicated the presence of significant quantities of phenolic 82.18 ± 1.28 mgg-1 gallic acid equivalent (GAE) and flavonoid 66.55±1.22 mgg-1 quercetin equivalent (QE) contents in the extract. Quantitation of phytoconstituents exhibited the presence of sinapic acid, myricetin, and quercetin using HPLC analysis. The extract inhibited α-amylase by 84.71%, and an antiglycemic potential of 50.34% was assessed in the OGTT assay. Biochemical analysis demonstrated a reduction in urea, creatinine, cholesterol, low-density lipoprotein, and alkaline phosphatase (p < 0.001) as compared to diabetic control rats at the dose of 500 mg/kg. An upregulation in the expressions of glucokinase, glucose transporter 4, peroxisome proliferator-activated receptor γ, and insulin-like growth factor was observed in treated rats in contrast to G6P expression, which was downregulated upon treatment. In conclusion, this study provided evidence of the antioxidative and antidiabetic potential of E. helioscopia whole plant ethanolic extract through in vitro and in vivo analysis and emphasized its promising role as a natural alternative.


Assuntos
Antioxidantes , Glicemia , Diabetes Mellitus Experimental , Euphorbia , Glucoquinase , Transportador de Glucose Tipo 4 , Hipoglicemiantes , Extratos Vegetais , Animais , Diabetes Mellitus Experimental/tratamento farmacológico , Diabetes Mellitus Experimental/metabolismo , Extratos Vegetais/farmacologia , Euphorbia/química , Hipoglicemiantes/farmacologia , Hipoglicemiantes/uso terapêutico , Hipoglicemiantes/isolamento & purificação , Masculino , Ratos , Glucoquinase/metabolismo , Transportador de Glucose Tipo 4/metabolismo , Antioxidantes/farmacologia , Glicemia/efeitos dos fármacos , Glicemia/metabolismo , Glucose-6-Fosfatase/metabolismo , Ratos Wistar , Folhas de Planta/química , Estreptozocina , Etanol/química , Flavonoides/farmacologia , Flavonoides/isolamento & purificação
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