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1.
Food Chem ; 462: 141025, 2025 Jan 01.
Artigo em Inglês | MEDLINE | ID: mdl-39213966

RESUMO

This study aimed to assess the suitability of Chachafruto flour (CHF) as a stabilizing agent for an oil-in-water emulsion and its impact on the physicochemical properties of the emulsion after spray drying. Emulsions with varying CHF concentrations (2 %, 3 %, and 4 %) were prepared and compared to a control. The results from the creaming index and particle size (emulsion) analyses indicated that the highest emulsion stability was achieved with 4 %CHF, attributed to its protein content (20.5 %). The encapsulates exhibited spherical and rough surface morphologies but without holes on the surface. Low moisture content (MC < 5 %) and water activity (aw < 0.2) were associated with powder stability. The encapsulates added with CHF showed good reconstitution properties. FTIR confirmed the absence of chemical interactions during the encapsulation process, contributing to the stability. Furthermore, the addition of CHF improved the thermal stability of the encapsulates. This study represents the first investigation on the emulsifying potential of Chachafruto flour.


Assuntos
Cápsulas , Emulsões , Farinha , Tamanho da Partícula , Água , Emulsões/química , Farinha/análise , Cápsulas/química , Água/química , Secagem por Atomização , Óleos/química
2.
Food Chem ; 463(Pt 1): 141051, 2025 Jan 15.
Artigo em Inglês | MEDLINE | ID: mdl-39241419

RESUMO

In this study, the self-assembly mechanism of Zein/(-)-epigallocatechin-3-gallate/polyethylene glycol (Zein/EGCG/PEG) composite nanoparticles and their interface adsorption behavior at the oil-water interface were investigated by coarse-grained molecular dynamics simulation. Fourier transform infrared spectroscopy and conformation analysis demonstrated that there were electrostatic and hydrogen bond interactions between Zein and EGCG, physical entanglement between PEG and Zein, and hydrogen bond interaction between EGCG and PEG. The nanoparticles accumulated at the oil-water interface, and there was an obvious interface layer between oil phase and water phase, as indicated by confocal laser scanning microscope and scanning electron microscope. The adsorbing of Zein/EGCG/PEG nanoparticles at the oil-water interface was confirmed by coarse-grained molecular dynamics simulation. Further findings confirmed that Zein/EGCG/PEG nanoparticles could serve as stabilizers for oleogels with self-supporting structure, viscoelastic solid behavior and temperature response characteristics. The current research offered a novel approach to enhance protein interface characteristics and create food-grade emulsifiers and oleogelators.


Assuntos
Catequina , Nanopartículas , Polietilenoglicóis , Água , Zeína , Zeína/química , Polietilenoglicóis/química , Adsorção , Nanopartículas/química , Água/química , Catequina/química , Catequina/análogos & derivados , Simulação de Dinâmica Molecular , Óleos/química , Ligação de Hidrogênio
3.
J Colloid Interface Sci ; 678(Pt C): 1001-1011, 2025 Jan 15.
Artigo em Inglês | MEDLINE | ID: mdl-39326161

RESUMO

HYPOTHESIS: Oilseeds use triacylglycerides as main energy source, and pack them into highly stable droplets (oleosomes) to facilitate the triacylglycerides' long-term storage in the aqueous cytosol. To prevent the coalescence of oleosomes, they are stabilized by a phospholipid monolayer and unique surfactant-shaped proteins, called oleosins. In this study, we use state-of-the-art interfacial techniques to reveal the function of each component at the oleosome interface. EXPERIMENTS: We created model oil-water interfaces with pure oleosins, phosphatidylcholines, or mixtures of both components (ratios of 3:1, 1:1, 1:3), and applied large oscillatory dilatational deformations (LAOD). The obtained rheological response was analyzed with general stress decomposition (GSD) to get insights into the role of phospholipids and oleosins on the mechanics of the interface. FINDINGS: Oleosins formed viscoelastic solid interfacial films due to network formation via in-plane interactions. Between adsorbed phosphatidylcholines, weak interactions were observed, suggesting the surface stress response upon dilatational deformations was dominated by density changes. In mixtures with 3:1 and 1:1 oleosin-to-phosphatidylcholine ratios, oleosins dominated the interfacial mechanics and formed a network, while phosphatidylcholines contributed to interfacial tension reduction. At higher phosphatidylcholine concentrations (1:3 oleosin-to-phosphatidylcholine), phosphatidylcholine dominated the interface, and no network formation occurred. Our findings improve the understanding of both components' role for oleosomes.


Assuntos
Fosfatidilcolinas , Fosfatidilcolinas/química , Proteínas de Plantas/química , Proteínas de Plantas/metabolismo , Propriedades de Superfície , Gotículas Lipídicas/química , Gotículas Lipídicas/metabolismo , Reologia , Tamanho da Partícula , Água/química
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.
Avian Dis ; 68(3): 225-230, 2024 Sep.
Artigo em Inglês | MEDLINE | ID: mdl-39400217

RESUMO

Avian influenza virus (AIV) causes frequent outbreaks in poultry with high morbidity and mortality. The virus can survive on different fomites, resulting in indirect transmission to susceptible hosts. We investigated the inactivation by ozonated water (O3W) of three different subtypes of AIV (H4N8, H4N6, and H9N9) on seven different fomites. All subtypes were sensitive on all fomites, but there was a slight variation in the sensitivity of different subtypes. For example, AIV H9N9 showed more than 99% reduction on denim fabric, polypropylene, and Styrofoam after 3 min of exposure. More than 97% of H4N8 was eliminated from cardboard, denim fabric, and stainless steel after 3 min of exposure. Subtype H4N6 was the least sensitive; highest inactivation (98%) was seen on cardboard and polypropylene after 3 min of exposure. In conclusion, O3W can inactivate a large percentage of AIV applied to fomites within 3 min in all tested subtypes. Interestingly, an increase in contact time to 10 min did not result in an increase in the virus inactivation rate, probably because of the low half-life of ozone. Further studies are needed to determine how the residual virus can be inactivated so that it does not pose a problem to naïve birds.


Inactivación comparativa de tres subtipos diferentes del virus de la influenza aviar mediante agua ozonizada. El virus de la influenza aviar causa frecuentes brotes en aves la avicultura con alta morbilidad y mortalidad. El virus puede sobrevivir en diferentes fómites, lo que resulta en transmisión indirecta a huéspedes susceptibles. Se investigó la inactivación mediante agua ozonizada de tres subtipos diferentes del virus de la influenza aviar (H4N8, H4N6 y H9N9) en siete fómites diferentes. Todos los subtipos fueron sensibles al agua ozonizada (O3W) en todos los fómites, pero hubo una ligera variación en la sensibilidad de los diferentes subtipos. Por ejemplo, el virus subtipo H9N9 mostró una reducción de más del 99 % en tela de mezclilla, polipropileno y espuma de poliestireno después de tres minutos de exposición. Más del 97% del subtipo H4N8 se eliminó del cartón, la mezclilla y el acero inoxidable después de tres minutos de exposición. El subtipo H4N6 fue el menos sensible; La inactivación más alta (98%) se observó en cartón y polipropileno después de tres minutos de exposición. En conclusión, el agua ozonizada puede inactivar un gran porcentaje del virus de influenza aviar aplicado a fómites en tres minutos en todos los subtipos estudiados. Curiosamente, un aumento en el tiempo de contacto a 10 minutos no resultó en un aumento en la tasa de inactivación del virus, probablemente debido a la baja vida media del ozono. Se necesitan más estudios para determinar cómo se puede inactivar el virus residual para que no represente un problema para las aves susceptibles.


Assuntos
Vírus da Influenza A , Ozônio , Água , Ozônio/farmacologia , Animais , Vírus da Influenza A/efeitos dos fármacos , Vírus da Influenza A/fisiologia , Água/química , Influenza Aviária/virologia , Inativação de Vírus/efeitos dos fármacos , Fômites/virologia
6.
J Mol Graph Model ; 133: 108878, 2024 Dec.
Artigo em Inglês | MEDLINE | ID: mdl-39369623

RESUMO

The energy and structure of Bjerrum defects in structure II gas hydrates were investigated by using first-principle calculations for finite-size clusters and periodic 3D lattice systems. The formation energies of these defects were calculated for the first time when the cages of the structure II structure were completely empty and the large cage was filled with a THF molecule. Analogous to findings in ice structures, one of the hydrogen atoms forming the D defect was noted to orient toward the cage. If the excess proton resides in the large cage, it acts as an attraction center for the polar guest molecule, i.e., THF. Therefore, the large cage guest THF molecule stabilizes the D/L defect pair and isolated D/L defect formation energies by forming hydrogen bonds with the D defect. In such cases, the defect structure representing a D/L defect pair containing a THF molecule interacting with one of the hydrogen atoms of the D defect mirrors the guest-induced ones. Notably, the classical Bjerrum defect and the guest-induced Bjerrum defect exhibit a similar phenomenon in defective structures. Contrary to existing literature, it is evident that guest-induced Bjerrum defects involve both the L and D components. The insights gained from this study could potentially offer an alternative perspective to understand various experimental observations, such as those related to dielectric and NMR properties.


Assuntos
Gases , Ligação de Hidrogênio , Modelos Moleculares , Gases/química , Água/química , Hidrogênio/química , Termodinâmica , Conformação Molecular , Estrutura Molecular
7.
J Mol Graph Model ; 133: 108880, 2024 Dec.
Artigo em Inglês | MEDLINE | ID: mdl-39405985

RESUMO

Understanding the adsorption behavior of asphaltene molecules on the surfaces of oil reservoir solids is essential for optimizing oil recovery processes. This study employed molecular dynamics simulations to investigate the adsorption behavior of oil droplets composed of charged and neutral asphaltenes on silica surfaces. The results revealed that oil droplet containing anionic asphaltene molecules were more likely to adsorb onto silica surfaces and exhibited greater resistance to detachment compared to oil droplet containing neutral asphaltene molecules. Specifically, anionic asphaltene molecules tended to accumulate at the oil-water-silica interface, whereas neutral asphaltene molecules primarily adsorbed near the oil-water interface. These findings provide valuable insights into the differing adsorption dynamics of charged and neutral asphaltene molecules on silica surfaces.


Assuntos
Ânions , Simulação de Dinâmica Molecular , Dióxido de Silício , Dióxido de Silício/química , Adsorção , Ânions/química , Óleos/química , Água/química , Ácidos Carboxílicos/química , Propriedades de Superfície , Hidrocarbonetos Policíclicos Aromáticos
8.
Phys Rev E ; 110(3-1): 034405, 2024 Sep.
Artigo em Inglês | MEDLINE | ID: mdl-39425433

RESUMO

We have determined the depth-dose curve, penetration range, and water equivalent ratio for proton beams of clinical energies in cortical bone by means of a detailed and accurate simulation that combines molecular dynamics and Monte Carlo techniques. The fundamental input quantities (stopping power and energy loss straggling) for the simulation were obtained from a reliable electronic excitation spectrum of the condensed-phase target, which takes into account the organic and mineral phases that form it. Our simulations with these inputs, which are in excellent agreement with the scarce data available for a cortical bone target, deviate from simulations performed using other stopping quantities, such as those provided by the International Commission on Radiation Units and Measurements in its widely used Report No. 49 [M. J. Berger et al., Stopping powers and ranges for protons and alpha particles, International Commission on Radiation Units and Measurements, Bethesda, Maryland, 1993]. The results of this paper emphasize the importance of an accurate determination of the stopping quantities of cortical bone to advance towards the millimetric precision for the proton penetration ranges and deposited dose needed in radiotherapy.


Assuntos
Osso Cortical , Método de Monte Carlo , Prótons , Água , Osso Cortical/efeitos da radiação , Doses de Radiação , Simulação de Dinâmica Molecular , Simulação por Computador , Humanos
9.
J Phys Chem B ; 128(41): 10272-10285, 2024 Oct 17.
Artigo em Inglês | MEDLINE | ID: mdl-39378314

RESUMO

Predicting the interfacial properties of peptides is important for replacing oil-derived surfactants in cosmetics, oil, and agricultural applications. This work validated experimentally the estimations of surface tension at the critical micelle concentration (STCMC) of six peptides performed through a random forest (RF) model in a previous contribution. In silico interfacial tensions of the peptides were obtained in the system decane-water, and dilational experiments were applied to elucidate the foaming potential. The RF model accurately classified the peptides into high and low potential to reduce the STCMC. The simulations at the decane-water interface correctly identified peptides with high, intermediate, and low interfacial properties, and the dilational rheology allowed the estimation of the possible potential of three peptides to produce foams. This study sets the basis for identifying surface-active peptides, but future work is necessary to improve the estimations and the correlation between dilational properties and foam stabilization.


Assuntos
Peptídeos , Tensão Superficial , Água , Peptídeos/química , Água/química , Micelas , Alcanos/química , Simulação por Computador , Tensoativos/química
10.
Int J Mol Sci ; 25(19)2024 Oct 09.
Artigo em Inglês | MEDLINE | ID: mdl-39409159

RESUMO

Research in the field of metallodrugs is continually increasing. However, it is often limited by the poor solubility in water of the metal complexes. To try to overcome this problem, the two new ligands bis-(sodium 3-methoxy-5-sulfonate-salicylaldehyde)thiocarbohydrazone (bis-TCH, Na2H4L1) and bis-(sodium 3-methoxy-5-sulfonate-salicylaldehyde)carbohydrazone (bis-CH, Na2H4L2) were synthesized and characterized, both achieving high solubility in water. The speciation of the ligands and their coordinating behaviour towards the biologically relevant Cu(II) and Zn(II) ions were studied spectroscopically and potentiometrically, determining the pKas of the ligands and the formation constants of the complex species. The monometallic and bimetallic Cu(II) and Zn(II) complexes were isolated, and the single-crystal X-ray structure of [Cu2(NaHL1)(H2O)7].3.5H2O was discussed. Finally, preliminary studies of the in vitro cytotoxic properties of the new compounds were started on normal (Hs27) and cancer (U937) cell lines. bis-TCH was able to induce a growth inhibition effect between 40% and 45% in both cell lines; bis-CH did not produce a reduction in cell viability in Hs27 cells but revealed mild antiproliferative activity after 72 h of treatment in U937 cancer cells (GI50 = 46.5 ± 4.94 µg/mL). Coordination of the Cu(II) ions increased the toxicity of the compounds, while, in contrast, Zn(II) complexes were not cytotoxic.


Assuntos
Complexos de Coordenação , Cobre , Hidrazonas , Solubilidade , Água , Zinco , Zinco/química , Cobre/química , Humanos , Hidrazonas/química , Hidrazonas/farmacologia , Hidrazonas/síntese química , Complexos de Coordenação/farmacologia , Complexos de Coordenação/síntese química , Complexos de Coordenação/química , Água/química , Linhagem Celular Tumoral , Antineoplásicos/farmacologia , Antineoplásicos/síntese química , Antineoplásicos/química , Ligantes , Sobrevivência Celular/efeitos dos fármacos , Cristalografia por Raios X
11.
Nature ; 634(8035): 833-841, 2024 Oct.
Artigo em Inglês | MEDLINE | ID: mdl-39385033

RESUMO

Ferroelectric structures have spontaneous macroscopic polarization that can be inverted using external electric fields and have potential applications including information storage, energy transduction, ultralow-power nanoelectronics1,2 and biomedical devices3. These functions would benefit from nanoscale control of ferroelectric structure, the ability to switch polarization with lower applied fields (low coercive field) and biocompatibility. Soft ferroelectrics based on poly(vinylidene fluoride) (PVDF)4-6 have a thermodynamically unstable ferroelectric phase in the homopolymer, complex semi-crystalline structures, and high coercive fields. Here we report on ferroelectric materials formed by water-soluble molecules containing only six VDF repeating units covalently conjugated to a tetrapeptide, with the propensity to assemble into the ß-sheet structures that are ubiquitous in proteins. This led to the discovery of ribbon-shaped ferroelectric supramolecular assemblies that are thermodynamically stable with their long axes parallel to both the preferred hydrogen-bonding direction of ß-sheets and the bistable polar axes of VDF hexamers. Relative to a commonly used ferroelectric copolymer, the biomolecular assemblies exhibit a coercive field that is two orders of magnitude lower, as the result of supramolecular dynamics, and a similar level of remnant polarization, despite having a peptide content of 49 wt%. Furthermore, the Curie temperature of the assemblies is about 40 °C higher than that of a copolymer containing a similar amount of VDF. This supramolecular system was created using a biologically inspired strategy that is attractive in terms of sustainability and that could lead to new functions for soft ferroelectrics.


Assuntos
Materiais Biomiméticos , Eletricidade , Polímeros de Fluorcarboneto , Peptídeos , Polivinil , Ligação de Hidrogênio , Peptídeos/química , Polivinil/química , Solubilidade , Termodinâmica , Água/química , Materiais Biomiméticos/química , Eletricidade Estática , Polímeros de Fluorcarboneto/química
12.
Sci Rep ; 14(1): 22968, 2024 10 03.
Artigo em Inglês | MEDLINE | ID: mdl-39362921

RESUMO

The absorption of terahertz (THz) radiation by water molecules facilitates its application to several biomedical applications such as cancer detection. Therefore, it is critical for the THz technologies to be characterised with water content in a sample. In this paper, we analyse gelatine phantoms in the THz frequency range, with continuously varying hydration levels as they dry over time. Water molecules in close proximity to the protein molecule, termed 'bound water', feature properties different from the 'free water' molecules at larger distances. We find that a common model for predicting electromagnetic properties of phantoms and tissue samples, which assumes that only the free water varies with hydration while the bound water remains constant, does not agree well with measured results. To gain insight into this behaviour, we simultaneously measured the phantom in Raman spectroscopy, which shows a continuously varying concentration of bound water with hydration level. It follows from this investigation, that the permittivity contributions of neither the biomolecules nor water are expected to be linear with water density. This means that the often used, simple effective medium model will not be accurate for many biological tissues or phantoms.


Assuntos
Imagens de Fantasmas , Análise Espectral Raman , Água , Água/química , Análise Espectral Raman/métodos , Radiação Terahertz
13.
Nat Commun ; 15(1): 8487, 2024 Oct 01.
Artigo em Inglês | MEDLINE | ID: mdl-39353935

RESUMO

Though conceptually attractive, the use of water-soluble prodrug technology to enhance oral bioavailability of highly insoluble small molecule therapeutics has not been widely adopted. In large part, this is due to the rapid enzymatic or chemical hydrolysis of prodrugs within the gastrointestinal tract, resulting in drug precipitation and no overall improvement in oral bioavailability relative to standard formulation strategies. We reasoned that an optimal water-soluble prodrug could be attained if the rate of prodrug hydrolysis were reduced to favor drug absorption rather than drug precipitation. In doing so, the rate of hydrolysis provides a pharmacokinetic control point for drug delivery. Herein, we report the discovery of a water-soluble promoiety (Sol-moiety) technology to optimize the oral bioavailability of highly insoluble small molecule therapeutics, possessing various functional groups, without the need for sophisticated, often toxic, lipid or organic solvent-based formulations. The power of the technology is demonstrated with marked pharmacokinetic improvement of the commercial drugs enzalutamide, vemurafenib, and paclitaxel. This led to a successful efficacy study of a water-soluble orally administered prodrug of paclitaxel in a mouse pancreatic tumor model.


Assuntos
Disponibilidade Biológica , Pró-Fármacos , Solubilidade , Água , Pró-Fármacos/farmacocinética , Pró-Fármacos/administração & dosagem , Pró-Fármacos/química , Animais , Administração Oral , Camundongos , Água/química , Humanos , Paclitaxel/farmacocinética , Paclitaxel/administração & dosagem , Hidrólise , Neoplasias Pancreáticas/tratamento farmacológico , Neoplasias Pancreáticas/patologia , Feminino
14.
Nat Commun ; 15(1): 8517, 2024 Oct 02.
Artigo em Inglês | MEDLINE | ID: mdl-39353937

RESUMO

Oil-in-water emulsion is a system with extensive applications in foods, cosmetics and coating industries, and it could also be designed into an artificial lipid droplet in recent works. However, the insights into the biophysical dynamic behaviors of such artificial lipid droplets are lacking. Here, we reveal an enzymatic reaction triggered endocytosis-like behavior in the oil-in-water emulsion lipid droplets. A thermodynamically favored recruitment of lipases onto the membrane of the droplets is demonstrated. We confirm that the hydrolysis of tributyrin by lipases can decrease the interfacial tension and increase the compressive force on the membrane, which are the two main driving forces for triggering the endocytosis-like behavior. The endocytosis-like behavior induced various emerging functionalities of the lipid droplets, including proteins, DNA or inorganic particles being efficiently sequestered into the oil droplet with reversible release as well as enhanced cascade enzymatic reaction. Overall, our studies are expected to open up a way to functionalize oil-in-water emulsions capable of life-inspired behaviors and tackle emerging challenges in bottom-up synthetic biology, revealing the unknown dynamic behaviors of lipid droplets in living organisms.


Assuntos
Emulsões , Endocitose , Lipase , Gotículas Lipídicas , Óleos , Triglicerídeos , Água , Emulsões/química , Lipase/metabolismo , Lipase/química , Água/química , Gotículas Lipídicas/química , Gotículas Lipídicas/metabolismo , Triglicerídeos/química , Triglicerídeos/metabolismo , Óleos/química , Hidrólise
15.
J Chromatogr A ; 1736: 465411, 2024 Nov 08.
Artigo em Inglês | MEDLINE | ID: mdl-39368194

RESUMO

Water, ubiquitous in analytical methods, is renowned for its fluorescence quenching properties, influencing techniques like fluorescence spectrophotometry or techniques with fluorescence detection. This study explores the impact of water (H2O) substitution for heavy water (D2O) on the fluorescence behavior of anthraquinones and anthracyclines. Anthraquinones and anthracyclines play crucial roles in pharmacy, serving as essential components in various therapeutic formulations, particularly in cancer treatment and other pharmacological interventions. Capillary electrophoresis (CE) with heavy water as the background electrolyte (BGE) solvent offers superior sensitivity to the separation and detection of these analytes. Experimental results demonstrate the improved detection limits and separation efficiency of selected anthraquinones rhein (RH), aloe-emodin (AE), and anthracyclines doxorubicin (DOX), epirubicin (EPI) and daunorubicine (DAU) in heavy water-based buffers, highlighting the potential of heavy water in advancing analytical chemistry.


Assuntos
Antraquinonas , Eletroforese Capilar , Espectrometria de Fluorescência , Eletroforese Capilar/métodos , Antraquinonas/química , Antraquinonas/análise , Espectrometria de Fluorescência/métodos , Antraciclinas/análise , Antraciclinas/química , Água/química , Limite de Detecção , Óxido de Deutério/química
16.
Ecotoxicol Environ Saf ; 285: 117101, 2024 Oct 15.
Artigo em Inglês | MEDLINE | ID: mdl-39357379

RESUMO

Cyanobacteria provide an economical, feasible, and environmentally friendly solution for heavy metal removal. In addition, plasma can facilitate the removal of heavy metals across various time frames. In this study, we applied plasma-activated water (PAW) to prepare Neowestiellopsis persica A1387 strain medium culture for 0, 10, 15, and 20 min via an Atmospheric Cold Plasma Jet device (ACPJ-17A). Nickel removal efficiency was evaluated after 48 hours of cultivation under controlled conditions at 0, 10, 30, 60, and 90 min. Further investigation was performed through FTIR, GC-MS, and XRD techniques. Statistical analysis of ANOVA and Tukey's test indicated that the samples treated for 15 min had the highest biomass dry weight, polysaccharide content, and nickel removal rate (p ≤ 0.05). The GC-MS analysis presented elevated concentrations of ethanol, 1,3-dimethylbenzene, acetic acid, 3-methylbutyl ester, aromatic chemicals, 2-methyl-1-propanol, and 3-octen-2-ol in all samples treated with plasma. The functional group analysis using the FT-IR approach showed increased peak intensities with more extended treatment periods, indicating the addition of methyl, methylene, and hydroxyl groups to the cyanobacterium cell wall. Furthermore, a peak at 468 cm⁻¹ wavelength was observed, correlating to the Ni-O stretching mode after absorption of Ni on the cyanobacterium surface. The XRD data exhibited prominent peaks in all diffraction patterns angles below 20 degrees, suggesting the presence of amorphous and non-crystalline chemical structures within the cyanobacterial structures. The peak intensity increased with longer treatment durations. The 15-min plasma treatment optimized Ni removal, but the efficiency decreased with prolonged exposure due to adverse effects such as increased reactive oxygen species (ROS) production.


Assuntos
Biodegradação Ambiental , Níquel , Poluentes Químicos da Água , Poluentes Químicos da Água/análise , Cianobactérias/metabolismo , Gases em Plasma , Cromatografia Gasosa-Espectrometria de Massas , Água/química , Espectroscopia de Infravermelho com Transformada de Fourier
17.
Drug Des Devel Ther ; 18: 4497-4510, 2024.
Artigo em Inglês | MEDLINE | ID: mdl-39403095

RESUMO

Objective: To identify the polar parts in Rhubarb that cause hepatotoxicity and explore the underlying mechanisms. Methods: The rat model of liver cancer was established by gavage of diethylnitrosamine (DEN; 0.002 g/rat) for 14 weeks. Starting from the 11th week, Rhubarb granule (4 g/kg), aqueous, ethyl acetate and n-butanol extract of Rhubarb or Rhein equivalent to a dose of 4 g/kg Rhubarb granule were administered intragastrically for 4 consecutive weeks. Liver tissues from rats treated with DEN and Rhubarb granules were used for non-targeted metabolomics analysis. The correlation between pyruvate kinase isozyme type M2 (PKM2) expression level and the progress and prognosis of hepatocellular carcinoma (HCC) was evaluated through bioinformatics analysis based on TCGA database. Liver tissues and blood samples from rats treated with DEN and aqueous, ethyl acetate and n-butanol extract of Rhubarb were used for the screening of hepatotoxic polar parts of Rhubarb. The liver injuries were evaluated by the changes in pathology, liver function, and the expression levels of proliferating cell nuclear antigen (PCNA) and transforming growth factor beta1 (TGF-ß1). The mechanism studies focus on PKM2 expression, and the metabolic reprogramming via detecting the activities of lactate dehydrogenase A (LDHA) and isocitrate dehydrogenase (ICDH). Furthermore, molecular docking analysis was performed to validate the target interaction between Rhein and PKM2, and the hepatotoxicity of Rhein was evaluated by testing liver function in the DEN-induced liver cancer model. Results: The non-targeted metabolomics analysis revealed that Rhubarb promoted aerobic glycolysis in the rat model of DEN-induced liver cancer. And bioinformatics analysis revealed that high PKM2 expression was closely related to the progression and poor prognosis of HCC. In vivo studies indicated that the aqueous extract of Rhubarb, but not ethyl acetate and n-butanol extract, promoted the liver injuries induced by DEN. The mechanism study showed that the aqueous extract of Rhubarb increased the expression of PKM2 and promoted aerobic glycolysis. Moreover, Rhein had a strong binding affinity for PKM2 and aggravated liver injury in the DEN-induced liver cancer model. Conclusion: Aqueous extract of Rhubarb promoted hepatotoxicity via facilitating PKM2-mediated aerobic glycolysis in the rat model of DEN-induced liver cancer.


Assuntos
Dietilnitrosamina , Glicólise , Extratos Vegetais , Rheum , Animais , Rheum/química , Dietilnitrosamina/toxicidade , Ratos , Masculino , Extratos Vegetais/farmacologia , Extratos Vegetais/química , Extratos Vegetais/administração & dosagem , Glicólise/efeitos dos fármacos , Ratos Sprague-Dawley , Hormônios Tireóideos/metabolismo , Neoplasias Hepáticas/induzido quimicamente , Neoplasias Hepáticas/metabolismo , Neoplasias Hepáticas/tratamento farmacológico , Proteínas de Ligação a Hormônio da Tireoide , Proteínas de Membrana/metabolismo , Neoplasias Hepáticas Experimentais/induzido quimicamente , Neoplasias Hepáticas Experimentais/metabolismo , Neoplasias Hepáticas Experimentais/patologia , Modelos Animais de Doenças , Água/química , Proteínas de Transporte/metabolismo , Piruvato Quinase/metabolismo
18.
BMC Biotechnol ; 24(1): 75, 2024 Oct 07.
Artigo em Inglês | MEDLINE | ID: mdl-39375636

RESUMO

BACKGROUND: Silver nanoparticles are extensively researched for their antimicrobial properties. Cold atmospheric plasma, containing reactive oxygen and nitrogen species, is increasingly used for disinfecting microbes, wound healing, and cancer treatment. Therefore, this study examined the effect of water activated by dielectric barrier discharge (DBD) plasma and gliding arc discharge plasma on the antimicrobial activity of silver nanoparticles from Alborzia kermanshahica. METHODS: Silver nanoparticles were synthesized using the boiling method, as well as biomass from Alborzia kermanshahica extract grown in water activated by DBD and GA plasma. The physicochemical properties of the synthesized nanoparticles were evaluated using UV-vis spectroscopy, Fourier-transform infrared (FTIR) spectroscopy, dynamic light scattering (DLS), zeta potential analysis, transmission electron microscopy (TEM), and gas chromatography-mass spectrometry (GC-MS) analysis. Additionally, the disk diffusion method was used to assess the antimicrobial efficacy of the manufactured nanoparticles against both Gram-positive and Gram-negative bacteria. RESULTS: The spectroscopy results verified the presence of silver nanoparticles, indicating their biosynthesis. The highest amount of absorption (1.049) belonged to the nanoparticles synthesized by boiling under GA plasma conditions. Comparing the FTIR spectra of the plasma-treated samples with DBD and GA revealed that the DBD-treated samples had more intense peaks, indicating that the DBD method proved to be more effective in enhancing the functional groups on the silver nanoparticles. The DLS results revealed that the boiling method synthesized silver nanoparticles under DBD plasma treatment had a smaller particle size (149.89 nm) with a PDI of 0.251 compared to the GA method, and the DBD method produced nanoparticles with a higher zeta potential (27.7 mV) than the GA method, indicating greater stability of the biosynthesized nanoparticles. Moreover, the highest antimicrobial properties against E. coli (14.333 ± 0.47 mm) were found in the DBD-treated nanoparticles. TEM tests confirmed that spherical nanoparticles attacked the E. coli bacterial membrane, causing cell membrane destruction and cell death. The GC-MS results showed that compounds like 2-methylfuran, 3-methylbutanal, 2-methylbutanal, 3-hydroxy-2-butanone, benzaldehyde, 2-phenylethanol, and 3-octen-2-ol were much higher in the samples that were treated with DBD compared to the samples that were treated with GA plasma. CONCLUSION: The research indicated that DBD plasma was more efficient than GA plasma in boosting the antimicrobial characteristics of nanoparticles. These results might be a cornerstone for future advancements in utilizing cold plasma to create nanoparticles with enhanced antimicrobial properties.


Assuntos
Nanopartículas Metálicas , Gases em Plasma , Prata , Prata/farmacologia , Prata/química , Nanopartículas Metálicas/química , Gases em Plasma/farmacologia , Gases em Plasma/química , Água/química , Antibacterianos/farmacologia , Antibacterianos/química , Testes de Sensibilidade Microbiana , Bactérias Gram-Negativas/efeitos dos fármacos , Espectroscopia de Infravermelho com Transformada de Fourier , Anti-Infecciosos/farmacologia , Anti-Infecciosos/química
19.
Molecules ; 29(20)2024 Oct 17.
Artigo em Inglês | MEDLINE | ID: mdl-39459293

RESUMO

This study focused on optimizing a cold water extraction method to obtain bioactive compounds from chamomile (Matricaria chamomilla L.), addressing increasing consumer demand for natural products and nutraceuticals. A full-factorial design was employed to evaluate the effects of temperature, time, and chamomile amount on the polyphenolic profile of extracts. The samples were characterized by HPLC-DAD and UV-Vis coupled with chemometrics; the analysis showed that extraction time negatively affected extract quality, as did the interaction between time and temperature. In addition, a significant positive quadratic effect for temperature and a positive coefficient for chamomile amount was found. ASCA was used to assess the UV-Vis profile, offering an alternative untargeted method for understanding the variable effects. The optimal extraction conditions (25 °C, 32 min, and 2.5 g of chamomile) produced samples high in hydroxybenzoic and hydroxycinnamic acids and flavanol derivatives. Using A face-centered design, this study also monitored antioxidant activity via a DPPH scavenging assay, confirming that the optimal conditions yielded samples within the range of maximum antioxidant activity in the studied experimental domain.


Assuntos
Antioxidantes , Camomila , Flores , Matricaria , Extratos Vegetais , Água , Extratos Vegetais/química , Flores/química , Matricaria/química , Antioxidantes/química , Antioxidantes/isolamento & purificação , Cromatografia Líquida de Alta Pressão/métodos , Água/química , Camomila/química , Polifenóis/química , Polifenóis/isolamento & purificação , Polifenóis/análise , Temperatura Baixa , Compostos Fitoquímicos/química , Compostos Fitoquímicos/isolamento & purificação , Compostos Fitoquímicos/análise
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