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1.
Clin Exp Dent Res ; 10(4): e926, 2024 Aug.
Artículo en Inglés | MEDLINE | ID: mdl-38970232

RESUMEN

OBJECTIVES: Electronic nicotine delivery systems (e-cigarette, pod, and vape) are currently among the tobacco consumption of adolescents and young adults. The aim is to show oral mucosa and saliva alterations related to vape. MATERIAL AND METHODS: A vape-user patient, presenting a white plaque in the posterior region of the hard palate, underwent clinical examination, sialometry, pH evaluation, and excisional biopsy of the white lesion. Molecular changes in saliva and vape liquid were analyzed by vibrational spectroscopy. RESULTS: The histopathological analyses showed hyperparakeratosis without dysplasia. Formaldehyde, ketones, and aromatic hydrocarbon species were identified in e-cig liquid by the FTIR. CONCLUSIONS: The use of vape may be related to the development of hyperkeratotic lesions in the oral mucosa as well as significantly modify the patient's salivary patterns as the vape liquid presents carcinogenic and cytotoxic components in its composition.


Asunto(s)
Mucosa Bucal , Saliva , Humanos , Saliva/química , Mucosa Bucal/patología , Sistemas Electrónicos de Liberación de Nicotina , Vapeo/efectos adversos , Masculino , Espectroscopía Infrarroja por Transformada de Fourier/métodos , Adulto , Paladar Duro/patología , Adulto Joven , Biopsia
2.
Food Res Int ; 190: 114562, 2024 Aug.
Artículo en Inglés | MEDLINE | ID: mdl-38945563

RESUMEN

The structural and functional properties of whey-quercetin and whey hydrolysate-quercetin conjugates synthesized using alkaline and free radical-mediated methods (AM and FRM) coupled with sonication were studied. FTIR showed new peaks at 3000-3500 cm-1 (N-H stretching regions) and the 1000-1100 cm-1 region with the conjugates. Conjugation increased the random coils and α-helix content while decreasing the ß-sheets and turns. It also increased the particle size and surface hydrophobicity which was significantly (p < 0.05) higher in AM than FRM conjugates. AM conjugates had higher radical scavenging activity but lower quercetin content than FRM conjugates. Overall, the functional properties of whey-quercetin conjugates were better than whey hydrolysate-quercetin conjugates. However, hydrolysate conjugates had significantly higher denaturation temperatures irrespective of the method of production. Sonication improved the radical scavenging activity and quercetin content of FRM conjugates while it decreased both for AM conjugates. This study suggested that whey-quercetin conjugates generally had better quality than whey hydrolysate conjugates and sonication tended to further improve these properties. This study highlights the potential for using camel whey or whey hydrolysate-quercetin conjugates to enhance the functional properties of food products in the food industry.


Asunto(s)
Camelus , Interacciones Hidrofóbicas e Hidrofílicas , Quercetina , Sonicación , Quercetina/química , Animales , Hidrolisados de Proteína/química , Suero Lácteo/química , Antioxidantes/química , Proteína de Suero de Leche/química , Depuradores de Radicales Libres/química , Espectroscopía Infrarroja por Transformada de Fourier , Radicales Libres/química , Tamaño de la Partícula , Concentración de Iones de Hidrógeno
3.
Food Res Int ; 190: 114578, 2024 Aug.
Artículo en Inglés | MEDLINE | ID: mdl-38945600

RESUMEN

The Cerrado is one of the most biodiverse biomes in the world, characterized by a wealth of native fruits with unique nutritional characteristics. In this sense, the social, economic, and environmental importance of fully utilizing food is widely recognized. Therefore, generally considered waste, fruit shells can be transformed into a coproduct with high added value. The objective of this work was to carry out a comprehensive assessment of the physicochemical properties, carbohydrate and fatty acid profile, phytochemical compounds, phenolic profile, and antioxidant potential of the recovered extracts of buriti (Mauritia flexuosa) shells in natura and dehydrated at 55 °C (flour). In addition, the functional properties were verified by thermogravimetric analysis (TGA), scanning electron microscopy (SEM), and Fourier transform infrared spectroscopy (FTIR) from buriti shell flour. The results indicated high fiber content and energy value for the sample processed at 55 °C (58.95 g/100 g and 378.91 kcal/100 g, respectively) and low lipid and protein content (1.03 g/100 g and 1.39 g/100 g, respectively). Regardless of the sample analyzed, maltose was the majority sugar (37.33 - 281.01 g/100 g). The main fatty acids detected were oleic acid (61.33 - 62.08 %) followed by palmitic acid (33.91 - 34.40 %). The analysis of the mineral profile demonstrated that the samples did not differ significantly from each other, showing that the drying process did not interfere with the results obtained (p ≤ 0.05). The analysis of individual phenolics allowed the identification of six phenolic compounds in buriti shells. However, it is possible to observe that the drying method had a positive and significant influence on the phenolic profile (p ≤ 0.05), with chlorogenic acid (2.63 - 8.27 mg/100 g) and trigonelline (1.06 - 41.52 mg/100 g), the majority compounds. On the other hand, it is important to highlight that buriti shells have a high content of carotenoids, mainly ß-carotene (27.18 - 62.94 µg/100 g) and α-carotene (18.23 - 60.28 µg/100 g), also being positively influenced by the drying process at 55 °C (p ≤ 0.05). The dried shells showed a high content of phytochemical compounds and high antioxidant activity based on the different methods tested. The results show that buriti shell flour can be fully utilized and has nutritional and chemical aspects that can be applied to develop new sustainable, nutritious, and functional food formulations.


Asunto(s)
Antioxidantes , Harina , Frutas , Valor Nutritivo , Antioxidantes/análisis , Frutas/química , Brasil , Harina/análisis , Ácidos Grasos/análisis , Espectroscopía Infrarroja por Transformada de Fourier , Fenoles/análisis , Extractos Vegetales/química , Extractos Vegetales/análisis , Fibras de la Dieta/análisis , Cucurbitaceae/química , Fitoquímicos/análisis
4.
Int J Mol Sci ; 25(12)2024 Jun 08.
Artículo en Inglés | MEDLINE | ID: mdl-38928068

RESUMEN

As a low-calorie sugar, D-allulose is produced from D-fructose catalyzed by D-allulose 3-epimerase (DAE). Here, to improve the catalytic activity, stability, and processability of DAE, we reported a novel method by forming organic-inorganic hybrid nanoflowers (NF-DAEs) and co-immobilizing them on resins to form composites (Re-NF-DAEs). NF-DAEs were prepared by combining DAE with metal ions (Co2+, Cu2+, Zn2+, Ca2+, Ni2+, Fe2+, and Fe3+) in PBS buffer, and were analyzed by scanning electron microscopy (SEM), Fourier transform infrared spectroscopy, and X-ray diffraction. All of the NF-DAEs showed higher catalytic activities than free DAE, and the NF-DAE with Ni2+ (NF-DAE-Ni) reached the highest relative activity of 218%. The NF-DAEs improved the thermal stability of DAE, and the longest half-life reached 228 min for NF-DAE-Co compared with 105 min for the free DAE at 55 °C. To further improve the recycling performance of the NF-DAEs in practical applications, we combined resins and NF-DAEs to form Re-NF-DAEs. Resins and NF-DAEs co-effected the performance of the composites, and ReA (LXTE-606 neutral hydrophobic epoxy-based polypropylene macroreticular resins)-based composites (ReA-NF-DAEs) exhibited outstanding relative activities, thermal stabilities, storage stabilities, and processabilities. The ReA-NF-DAEs were able to be reused to catalyze the conversion from D-fructose to D-allulose, and kept more than 60% of their activities after eight cycles.


Asunto(s)
Estabilidad de Enzimas , Enzimas Inmovilizadas , Enzimas Inmovilizadas/química , Carbohidrato Epimerasas/química , Carbohidrato Epimerasas/metabolismo , Nanoestructuras/química , Fructosa/química , Espectroscopía Infrarroja por Transformada de Fourier , Difracción de Rayos X
5.
Mar Drugs ; 22(6)2024 Jun 12.
Artículo en Inglés | MEDLINE | ID: mdl-38921584

RESUMEN

The main goal of this study was to assess the bioactive and polysaccharide compositions, along with the antioxidant and antibacterial potentials, of five seaweeds collected from the northeastern coast of Algeria. Through Fourier transform infrared spectroscopy analysis and X-ray fluorescence spectroscopy, the study investigated the elemental composition of these seaweeds and their chemical structure. In addition, this study compared and identified the biochemical makeup of the collected seaweed by using cutting-edge methods like tandem mass spectrometry and ultra-high-performance liquid chromatography, and it searched for new sources of nutritionally valuable compounds. According to the study's findings, Sargassum muticum contains the highest levels of extractable bioactive compounds, showing a phenolic compound content of 235.67 ± 1.13 µg GAE·mg-1 and a total sugar content of 46.43 ± 0.12% DW. Both S. muticum and Dictyota dichotoma have high concentrations of good polyphenols, such as vanillin and chrysin. Another characteristic that sets brown algae apart is their composition. It showed that Cladophora laetevirens has an extracted bioactive compound content of 12.07% and a high capacity to scavenge ABTS+ radicals with a value of 78.65 ± 0.96 µg·mL-1, indicating high antioxidant activity. In terms of antibacterial activity, S. muticum seaweed showed excellent growth inhibition. In conclusion, all five species of seaweed under investigation exhibited unique strengths, highlighting the variety of advantageous characteristics of these seaweeds, especially S. muticum.


Asunto(s)
Antibacterianos , Antioxidantes , Algas Marinas , Algas Marinas/química , Argelia , Antioxidantes/farmacología , Antioxidantes/química , Antioxidantes/aislamiento & purificación , Antibacterianos/farmacología , Antibacterianos/química , Antibacterianos/aislamiento & purificación , Extractos Vegetales/farmacología , Extractos Vegetales/química , Pruebas de Sensibilidad Microbiana , Sargassum/química , Espectroscopía Infrarroja por Transformada de Fourier , Phaeophyceae/química , Cromatografía Líquida de Alta Presión , Espectrometría de Masas en Tándem
6.
Mol Pharm ; 21(7): 3661-3673, 2024 Jul 01.
Artículo en Inglés | MEDLINE | ID: mdl-38858241

RESUMEN

Dacarbazine (DTIC) is a widely prescribed oncolytic agent to treat advanced malignant melanomas. Nevertheless, the drug is known for exhibiting low and pH-dependent solubility, in addition to being photosensitive. These features imply the formation of the inactive photodegradation product 2-azahypoxanthine (2-AZA) during pharmaceutical manufacturing and even drug administration. We have focused on developing novel DTIC salt/cocrystal forms with enhanced solubility and dissolution behaviors to overcome or minimize this undesirable biopharmaceutical profile. By cocrystallization techniques, two salts, two cocrystals, and one salt-cocrystal have been successfully prepared through reactions with aliphatic carboxylic acids. A detailed structural study of these new multicomponent crystals was conducted using X-ray diffraction (SCXRD, PXRD), spectroscopic (FT-IR and 1H NMR), and thermal (TG and DSC) analyses. Most DTIC crystal forms reported display substantial enhancements in solubility (up to 19-fold), with faster intrinsic dissolution rates (from 1.3 to 22-fold), contributing positively to reducing the photodegradation of DTIC in solution. These findings reinforce the potential of these new solid forms to enhance the limited DTIC biopharmaceutical profile.


Asunto(s)
Cristalización , Dacarbazina , Fotólisis , Solubilidad , Difracción de Rayos X , Dacarbazina/química , Espectroscopía Infrarroja por Transformada de Fourier/métodos , Espectroscopía de Resonancia Magnética , Rastreo Diferencial de Calorimetría
7.
ACS Biomater Sci Eng ; 10(7): 4297-4310, 2024 Jul 08.
Artículo en Inglés | MEDLINE | ID: mdl-38900847

RESUMEN

Interfaces between AISI 304 stainless steel screws and cranial bone were investigated after long-term implantation lasting for 42 years. Samples containing the interface regions were analyzed using state-of-the-art analytical techniques including secondary ion mass, Fourier-transform infrared, Raman, and X-ray photoelectron spectroscopies. Local samples for scanning transmission electron microscopy were cut from the interface regions using the focused ion beam technique. A chemical composition across the interface was recorded in length scales covering micrometric and nanometric resolutions and relevant differences were found between peri-implant and the distant cranial bone, indicating generally younger bone tissue in the peri-implant area. Furthermore, the energy dispersive spectroscopy revealed an 80 nm thick steel surface layer enriched by oxygen suggesting that the AISI 304 material undergoes a corrosion attack. The attack is associated with transport of metallic ions, namely, ferrous and ferric iron, into the bone layer adjacent to the implant. The results comply with an anticipated interplay between released iron ions and osteoclast proliferation. The interplay gives rise to an autocatalytic process in which the iron ions stimulate the osteoclast activity while a formation of fresh bone resorption sites boosts the corrosion process through interactions between acidic osteoclast extracellular compartments and the implant surface. The autocatalytic process thus may account for an accelerated turnover of the peri-implant bone.


Asunto(s)
Tornillos Óseos , Cráneo , Acero Inoxidable , Tornillos Óseos/efectos adversos , Acero Inoxidable/química , Humanos , Corrosión , Cráneo/patología , Espectroscopía Infrarroja por Transformada de Fourier , Interfase Hueso-Implante , Propiedades de Superficie , Espectroscopía de Fotoelectrones , Espectrometría Raman , Hierro/química
8.
Int J Biol Macromol ; 273(Pt 1): 132783, 2024 Jul.
Artículo en Inglés | MEDLINE | ID: mdl-38825285

RESUMEN

In this study, a brand-new, easy, and environmentally friendly approach for chemically functionalizing 2,2,6,6-tetramethylpiperidinyloxyl radical (TEMPO)-oxidized cellulose nanofiber (TOCNF) to produce modified cellulose nanofiber (octadecylamine-citric acid-CNF) was proposed. Effects of octadecylamine (ODA)/TOCNF mass ratio on the chemical structure, morphology, surface hydrophobicity and oleophobicity were studied. According to Fourier transform infrared spectroscopy (FTIR) analysis, ODA was successfully grafted onto the TOCNF by simple citric acid (CA) esterification and amidation reactions. Scanning electron microscopy (SEM) showed that a new rough structure was formed on the ODA-CA-CNF surface. The water contact angle (WCA) and the castor oil contact angle (OCA) of the ODA-CA-CNF reached 139.6° and 130.6°, respectively. The high-grafting-amount ODA-CA-CNF was sprayed onto paper, and the OCA reached 118.4°, which indicated good oil-resistance performance. The low-grafting-amount ODA-CNF was applied in a pH-responsive indicator film, exhibiting a colour change in response to the pH level, which can be applied in smart food packaging. The ODA-CA-CNF with excellent water/oil-resistance properties and fluorine-free properties can replace petrochemical materials and can be used in the fields of fluorine-free oil-proof paper.


Asunto(s)
Celulosa , Óxidos N-Cíclicos , Interacciones Hidrofóbicas e Hidrofílicas , Nanofibras , Nanofibras/química , Celulosa/química , Óxidos N-Cíclicos/química , Aminas/química , Ácido Cítrico/química , Agua/química , Espectroscopía Infrarroja por Transformada de Fourier , Flúor/química , Propiedades de Superficie
9.
Pestic Biochem Physiol ; 202: 105917, 2024 Jun.
Artículo en Inglés | MEDLINE | ID: mdl-38879319

RESUMEN

Owing to their beneficial functional capabilities, essential oils were largely used. However, their low aqueous solubility, instability, and high volatility urged scientists to their encapsulation with cyclodextrins (CDs) to tackle their shortcomings. In this study, the co-precipitation method was used to prepare ß-CD/Eucalyptus globulus essential oil (EGEO) inclusion complexes (ICs). ß-CD/EGEO ICs were prepared at ratios (w:w) 1:2 and 1:4 with an encapsulation efficiency of 93 and 96%, respectively. The ICs characterization using the Fourier transform Infrared spectroscopy, differential scanning calorimetry, X-ray powder diffraction, Dynamic Light Scattering, and Laser Doppler Velocimetry confirmed the formation of ß-CD/EGEO ICs. The insecticidal activity of the free EGEO and ICs was explored and displayed that the complex ß-CD/EGEO 1:4 had the highest activity with the lowest LC50 against Ephestia kuehniella larvae (5.03 ± 1.16 mg/g) when compared to the free oil (8.38 ± 1.95 mg/g). Molecular docking simulations stipulated that the compound α-Bisabolene epoxide had the best docking score (ΔG = -7.4 Kcal/mol) against the selected insecticidal target α-amylase. Additionally, toxicity evaluation of the studied essential oil suggested that it could be safely used as a potent bioinsecticide as compared to chemical insecticides. This study reveals that the formation of ß-CD/EGEO ICs enhanced the oil activity and stability and could be a promising and safe tool to boost its application in food or pharmaceutical fields.


Asunto(s)
Eucalyptus , Insecticidas , Larva , Simulación del Acoplamiento Molecular , Aceites Volátiles , beta-Ciclodextrinas , Animales , Insecticidas/química , Insecticidas/farmacología , Larva/efectos de los fármacos , Aceites Volátiles/farmacología , Aceites Volátiles/química , Eucalyptus/química , beta-Ciclodextrinas/química , beta-Ciclodextrinas/farmacología , Escarabajos/efectos de los fármacos , Espectroscopía Infrarroja por Transformada de Fourier , Difracción de Rayos X
10.
Food Res Int ; 188: 114393, 2024 Jul.
Artículo en Inglés | MEDLINE | ID: mdl-38823852

RESUMEN

After successfully addressing to mitigate bitterness of naringin through construction Pickering emulsion using pea protein (PP) and naringin (NG) in our previous study, we now probed thermal stability, antioxidant efficacy, and bioavailability. FTIR analysis and UV-vis spectroscopy indicated predominant interactions between PP and NG were hydrogen and hydrophobic bonds. TGA and DSC analyses demonstrated that PP-NG complexes exhibited superior heat-resistance compared to pure PP and NG. Thermal stability assessments indicated a significant retention of NG in the PP-NG Pickering emulsion than the control NG across varied temperatures (4 °C, 25 °C, 37 °C, and 65 °C). Moreover, the antioxidant activity of PP-NG emulsion was dependent on the concentration of NG, as evidenced by DPPH and ABTS free radicals scavenging abilities, ferric reducing power, and lipid peroxidation resistance. Additionally, PP-NG Pickering emulsion exhibited substantially high bioavailability (92.01 ± 3.91%). These results suggest a promising avenue for the application of NG with improved characteristics.


Asunto(s)
Antioxidantes , Disponibilidad Biológica , Emulsiones , Flavanonas , Proteínas de Guisantes , Flavanonas/química , Antioxidantes/química , Proteínas de Guisantes/química , Calor , Espectroscopía Infrarroja por Transformada de Fourier , Peroxidación de Lípido/efectos de los fármacos , Pisum sativum/química
11.
Luminescence ; 39(6): e4792, 2024 Jun.
Artículo en Inglés | MEDLINE | ID: mdl-38845344

RESUMEN

Favipiravir (FVP) is an oral antiviral drug approved in 2021 for the treatment of COVID-19. It is a pyrazine derivative that can be integrated into anti-viral RNA products to inhibit viral replication. While, adenine is a purine nucleobase that is found in deoxyribonucleic acid (DNA) and ribonucleic acid (RNA) to generate genetic information. For the first time, the binding mechanism between FVP and adenine was determined using different techniques, including UV-visible spectrophotometry, spectrofluorimetry, synchronous fluorescence (SF) spectroscopy, Fourier transform infrared (FTIR), fluorescence resonance energy transfer (FRET), and metal ion complexation. The fluorescence spectra indicated that FVP is bound to adenine via Van der Waals forces and hydrogen bonding through a spontaneous binding process (ΔGο < 0). The quenching mechanism was found to be static. Various temperature settings were used to investigate thermodynamic characteristics, such as binding forces, binding constants, and the number of binding sites. The reaction parameters, including the enthalpy change (ΔHο) and entropy change (ΔSο), were calculated using Van't Hoff's equation. The findings demonstrated that the adenine-FVP binding was endothermic. Furthermore, the results of the experiments revealed that some metal ions (K+, Ca+2, Co+2, Cu+2, and Al+3) might facilitate the binding interaction between FVP and adenine. Slight changes are observed in the FTIR spectra of adenine, indicating the binding interaction between adenine and FVP. This study may be useful in understanding the pharmacokinetic characteristics of FVP and how the drug binds to adenine to prevent any side effects.


Asunto(s)
Nucleótidos de Adenina , Amidas , Antivirales , Pirazinas , Termodinámica , Pirazinas/química , Pirazinas/metabolismo , Amidas/química , Amidas/metabolismo , Nucleótidos de Adenina/química , Nucleótidos de Adenina/metabolismo , Antivirales/química , Antivirales/farmacología , Antivirales/metabolismo , Espectroscopía Infrarroja por Transformada de Fourier , Espectrometría de Fluorescencia , Transferencia Resonante de Energía de Fluorescencia , Espectrofotometría Ultravioleta , Sitios de Unión , Adenina/química , Adenina/metabolismo
12.
Food Res Int ; 189: 114509, 2024 Aug.
Artículo en Inglés | MEDLINE | ID: mdl-38876586

RESUMEN

The presence of nanoparticle fractions (<100 nm, NPs) in the food additive TiO2 (E171) rises concerns about its potential harmful impact on human health. The knowledge about the interaction of TiO2 NPs with food components is limited to proteins or polyphenols. The present paper is the first to report on interactions between TiO2 NPs and high molecular pectins that form gels in boluses and are remain nearly intact during digestion until they reach the colon. Direct interactions were studied using Fourier Transform Infrared Spectroscopy while indirect ones were monitored by measuring the "absorption" of TiO2 using a 0.2 microfiltration membrane, during in vitro digestion in a model of the gastro-intestinal tract. The FT-IR spectra registered for pectin-TiO2 NPs solutions confirmed changes in band intensities at 1020, 1100, 1610, and 1740 cm-1, suggesting interactions taking place mainly via the COO- groups. Furthermore, the I(1020)/I(1100) ratio was decreased (C-O stretching vibrations), suggesting partial blocking of the skeletal vibrations caused by interactions between pectin and TiO2. The modelled in vitro digestions confirmed that the "availability" of Ti was reduced when TiO2 NPs were combined with pectin, as compared to TiO2 NPs "digested" alone.


Asunto(s)
Tracto Gastrointestinal , Nanopartículas , Pectinas , Titanio , Titanio/química , Pectinas/química , Espectroscopía Infrarroja por Transformada de Fourier , Tracto Gastrointestinal/metabolismo , Nanopartículas/química , Digestión , Humanos , Modelos Biológicos , Aditivos Alimentarios/química
13.
Food Res Int ; 189: 114547, 2024 Aug.
Artículo en Inglés | MEDLINE | ID: mdl-38876606

RESUMEN

Phenolic compounds represent natural compounds endowed with diverse biological functionalities. However, their inherent limitations, characterized by poor water solubility and low oral bioavailability, limit their broader applications. Encapsulation delivery systems are emerging as a remedy, able to ameliorate these limitations by enhancing the stability and solubility of phenolic compounds. In this study, a novel, customized pH-driven approach was developed by determining the optimal deprotonation and protonation points of three different types of polyphenols: ferulic acid, resveratrol, and rhein. The polyphenols were successfully encapsulated in a casein carrier. The solubility, stability, LogD, and LogS curves of the three polyphenols at different pH values were analyzed to identify the optimal deprotonation points for ferulic acid (pH 9), resveratrol (pH 11), and rhein (pH 10). Based on these findings, three different nanoparticles were prepared. The encapsulation efficiencies of the three phenolic compounds were 95.86%, 94.62%, and 94.18%, respectively, and the casein nanoparticles remained stable at room temperature for seven days. FTIR spectroscopy, fluorescence spectroscopy, and molecular docking study substantiated the encapsulation of phenolic compounds within the hydrophobic core of casein-based complexes, facilitated by hydrogen bonding interactions and hydrophobic interactions. Furthermore, the analysis of antioxidant activity elucidated that casein nanoparticles heightened both the water solubility and antioxidant efficacy of the phenolic compounds. This customized encapsulation technique, by establishing a transitional pH value, resolves the challenges of chemical instability and facile degradation of polyphenols under alkaline conditions in the application process of pH-driven methods. It presents novel insights for the application of polyphenols in the domains of food and biomedical fields.


Asunto(s)
Caseínas , Ácidos Cumáricos , Simulación del Acoplamiento Molecular , Polifenoles , Solubilidad , Caseínas/química , Concentración de Iones de Hidrógeno , Polifenoles/química , Ácidos Cumáricos/química , Resveratrol/química , Antraquinonas/química , Nanopartículas/química , Composición de Medicamentos , Espectroscopía Infrarroja por Transformada de Fourier , Interacciones Hidrofóbicas e Hidrofílicas , Antioxidantes/química
14.
Chemosphere ; 361: 142550, 2024 Aug.
Artículo en Inglés | MEDLINE | ID: mdl-38857633

RESUMEN

Materials Institute Lavoisier (MIL) metal organic frameworks (MOFs) are known for their potential to adsorb gaseous organic pollutants. This study explores the synergistic effects between the selection of central metals (e.g., titanium, iron, and aluminum) and the incorporation of -NH2 groups in terms of adsorption efficiency against gaseous formaldehyde (FA). A group of the pristine MIL MOFs is synthesized using three different metals (i.e., titanium, iron, and aluminum) and terephthalic acid along with their NH2 derivatives using 2-aminoterephthalic acid. Among the pristine forms, MIL-125(Ti) achieves the highest FA adsorption capacity (Q) of 26.96 mg g-1 and a partition coefficient (PC) of 0.0898 mol kg-1 Pa-1. Further, amination significantly improves the FA adsorption potential of NH2-MIL-125(Ti) with a Q value of 91.22 mg g-1 (PC = 0.3038 mol kg-1 Pa-1). In situ diffuse reflectance infrared Fourier-transform spectroscopy reveals that the FA adsorption of plain MILs should be governed primarily by physisorption. In contrast, FA adsorption of NH2-MILs appears to be regulated by both physisorption and chemisorption, while the latter being affected mainly through FA-NH2 interactions (Schiff base reactions). These findings provide valuable insights into the utility of aminated MIL sorbents, possibly toward the efficient management of indoor air quality.


Asunto(s)
Contaminantes Atmosféricos , Formaldehído , Estructuras Metalorgánicas , Formaldehído/química , Adsorción , Estructuras Metalorgánicas/química , Contaminantes Atmosféricos/química , Titanio/química , Aluminio/química , Espectroscopía Infrarroja por Transformada de Fourier , Hierro/química
15.
Malar J ; 23(1): 188, 2024 Jun 17.
Artículo en Inglés | MEDLINE | ID: mdl-38880870

RESUMEN

BACKGROUND: Effective testing for malaria, including the detection of infections at very low densities, is vital for the successful elimination of the disease. Unfortunately, existing methods are either inexpensive but poorly sensitive or sensitive but costly. Recent studies have shown that mid-infrared spectroscopy coupled with machine learning (MIRs-ML) has potential for rapidly detecting malaria infections but requires further evaluation on diverse samples representative of natural infections in endemic areas. The aim of this study was, therefore, to demonstrate a simple AI-powered, reagent-free, and user-friendly approach that uses mid-infrared spectra from dried blood spots to accurately detect malaria infections across varying parasite densities and anaemic conditions. METHODS: Plasmodium falciparum strains NF54 and FCR3 were cultured and mixed with blood from 70 malaria-free individuals to create various malaria parasitaemia and anaemic conditions. Blood dilutions produced three haematocrit ratios (50%, 25%, 12.5%) and five parasitaemia levels (6%, 0.1%, 0.002%, 0.00003%, 0%). Dried blood spots were prepared on Whatman™ filter papers and scanned using attenuated total reflection-Fourier Transform Infrared (ATR-FTIR) for machine-learning analysis. Three classifiers were trained on an 80%/20% split of 4655 spectra: (I) high contrast (6% parasitaemia vs. negative), (II) low contrast (0.00003% vs. negative) and (III) all concentrations (all positive levels vs. negative). The classifiers were validated with unseen datasets to detect malaria at various parasitaemia levels and anaemic conditions. Additionally, these classifiers were tested on samples from a population survey in malaria-endemic villages of southeastern Tanzania. RESULTS: The AI classifiers attained over 90% accuracy in detecting malaria infections as low as one parasite per microlitre of blood, a sensitivity unattainable by conventional RDTs and microscopy. These laboratory-developed classifiers seamlessly transitioned to field applicability, achieving over 80% accuracy in predicting natural P. falciparum infections in blood samples collected during the field survey. Crucially, the performance remained unaffected by various levels of anaemia, a common complication in malaria patients. CONCLUSION: These findings suggest that the AI-driven mid-infrared spectroscopy approach holds promise as a simplified, sensitive and cost-effective method for malaria screening, consistently performing well despite variations in parasite densities and anaemic conditions. The technique simply involves scanning dried blood spots with a desktop mid-infrared scanner and analysing the spectra using pre-trained AI classifiers, making it readily adaptable to field conditions in low-resource settings. In this study, the approach was successfully adapted to field use, effectively predicting natural malaria infections in blood samples from a population-level survey in Tanzania. With additional field trials and validation, this technique could significantly enhance malaria surveillance and contribute to accelerating malaria elimination efforts.


Asunto(s)
Malaria Falciparum , Plasmodium falciparum , Humanos , Malaria Falciparum/diagnóstico , Malaria Falciparum/sangre , Malaria Falciparum/parasitología , Plasmodium falciparum/aislamiento & purificación , Parasitemia/diagnóstico , Parasitemia/parasitología , Anemia/diagnóstico , Anemia/sangre , Anemia/parasitología , Espectrofotometría Infrarroja/métodos , Aprendizaje Automático , Carga de Parásitos , Adulto , Inteligencia Artificial , Sensibilidad y Especificidad , Femenino , Adulto Joven , Espectroscopía Infrarroja por Transformada de Fourier/métodos , Adolescente , Masculino , Persona de Mediana Edad , Tamizaje Masivo/métodos
16.
Molecules ; 29(11)2024 Jun 03.
Artículo en Inglés | MEDLINE | ID: mdl-38893504

RESUMEN

The chemical industry explosion in the 20th century has led to increased environmental pollution, affecting fauna, flora, and waterways. These substances alter water's taste, color, and smell, making it unfit for consumption or toxic. Agricultural water networks face threats from pollution before and after treatment. Some chemical contaminants, like pesticides, are embedded in natural biogeochemical cycles. In this study, we developed a simple and low-cost procedure for the fabrication of needles coated with polydimethylsiloxane (PDMS) as an efficient sorbent for the microextraction of organic pollutant traces from water. The prepared needles were used as an alternative for commercial solid-phase micro-extraction (SPME) devices in analytical chemistry. The PDMS polymeric phase was characterized by Fourier-transform infrared spectroscopy (FT-IR), thermogravimetry (TGA), and scanning electron microscopy (SEM). The PDMS-coated needles were used for extraction of thirteen pesticides by direct-immersion solid-phase microextraction (DI-SPME) from contaminated waters, followed by determination with gas chromatography-mass spectrometry (GC-MS). The developed analytical method showed limits of detection (LODs) between 0.3 and 2.5 ng mL-1 and RSDs in the range of 0.8-12.2%. The homemade needles were applied for the extraction of pesticides in surface and ground aqueous samples collected from an agricultural area. Several target pesticides were identified and quantified in the investigated water samples.


Asunto(s)
Plaguicidas , Microextracción en Fase Sólida , Contaminantes Químicos del Agua , Microextracción en Fase Sólida/métodos , Plaguicidas/análisis , Plaguicidas/aislamiento & purificación , Contaminantes Químicos del Agua/análisis , Contaminantes Químicos del Agua/aislamiento & purificación , Cromatografía de Gases y Espectrometría de Masas/métodos , Agricultura , Dimetilpolisiloxanos/química , Agua/química , Espectroscopía Infrarroja por Transformada de Fourier , Límite de Detección , Agujas
17.
Int J Mol Sci ; 25(11)2024 May 22.
Artículo en Inglés | MEDLINE | ID: mdl-38891815

RESUMEN

The growing trend in fruit wine production reflects consumers' interest in novel, diverse drinking experiences and the increasing demand for healthier beverage options. Fruit wines made from kiwi, pomegranates, and persimmons fermented using S. bayanus Lalvin strain EC1118 demonstrate the versatility of winemaking techniques. Kiwifruit, persimmon, and pomegranate wines were analyzed using HPLC and GC-TOFMS analyses to determine their concentrations of phenolic acids and volatile compounds. These results were supported by Fourier transform infrared (FTIR) spectroscopy to characterize and compare chemical shifts in the polyphenol regions of these wines. The wines' characterization included an anti-inflammatory assay based on NO, TNF-alpha, and IL-6 production in the RAW 264.7 macrophage model. FTIR spectroscopy predicted the antioxidant and phenolic contents in the wines. In terms of polyphenols, predominantly represented by chlorogenic, caffeic, and gallic acids, pomegranate and kiwifruit wines showed greater benefits. However, kiwifruit wines exhibited a highly diverse profile of volatile compounds. Further analysis is necessary, particularly regarding the use of other microorganisms in the fermentation process and non-Saccharomyces strains methods. These wines exhibit high biological antioxidant potential and health properties, providing valuable insights for future endeavors focused on designing healthy functional food products.


Asunto(s)
Antiinflamatorios , Fermentación , Frutas , Saccharomyces cerevisiae , Compuestos Orgánicos Volátiles , Vino , Vino/análisis , Compuestos Orgánicos Volátiles/análisis , Compuestos Orgánicos Volátiles/metabolismo , Ratones , Saccharomyces cerevisiae/metabolismo , Antiinflamatorios/farmacología , Antiinflamatorios/análisis , Antiinflamatorios/química , Frutas/química , Frutas/metabolismo , Animales , Células RAW 264.7 , Espectroscopía Infrarroja por Transformada de Fourier/métodos , Polifenoles/análisis , Antioxidantes/análisis , Actinidia/química , Granada (Fruta)/química
18.
Int J Mol Sci ; 25(11)2024 May 30.
Artículo en Inglés | MEDLINE | ID: mdl-38892184

RESUMEN

The early detection of gynecological cancers, which is critical for improving patient survival rates, is challenging because of the vague early symptoms and the diagnostic limitations of current approaches. This comprehensive review delves into the game-changing potential of infrared (IR) spectroscopy, a noninvasive technology used to transform the landscape of cancer diagnosis in gynecology. By collecting the distinctive vibrational frequencies of chemical bonds inside tissue samples, Fourier-transform infrared (FTIR) spectroscopy provides a 'molecular fingerprint' that outperforms existing diagnostic approaches. We highlight significant advances in this field, particularly the identification of discrete biomarker bands in the mid- and near-IR spectra. Proteins, lipids, carbohydrates, and nucleic acids exhibited different absorption patterns. These spectral signatures not only serve to distinguish between malignant and benign diseases, but also provide additional information regarding the cellular changes associated with cancer. To underscore the practical consequences of these findings, we examined studies in which IR spectroscopy demonstrated exceptional diagnostic accuracy. This review supports the use of IR spectroscopy in normal clinical practice, emphasizing its capacity to detect and comprehend the intricate molecular underpinnings of gynecological cancers.


Asunto(s)
Neoplasias de los Genitales Femeninos , Humanos , Femenino , Neoplasias de los Genitales Femeninos/diagnóstico , Espectroscopía Infrarroja por Transformada de Fourier/métodos , Biomarcadores de Tumor/análisis , Espectrofotometría Infrarroja/métodos , Detección Precoz del Cáncer/métodos
19.
Plant Cell Rep ; 43(7): 163, 2024 Jun 06.
Artículo en Inglés | MEDLINE | ID: mdl-38842544

RESUMEN

KEY MESSAGE: Calcium polypeptide plays a key role during cadmium stress responses in rice, which is involved in increasing peroxidase activity, modulating pectin methylesterase activity, and regulating cell wall by reducing malondialdehyde content. Cadmium (Cd) contamination threatens agriculture and human health globally, emphasizing the need for sustainable methods to reduce cadmium toxicity in crops. Calcium polypeptide (CaP) is a highly water-soluble small molecular peptide acknowledged for its potential as an organic fertilizer in promoting plant growth. However, it is still unknown whether CaP has effects on mitigating Cd toxicity. Here, we investigated the effect of CaP application on the ability to tolerate toxic Cd in rice. We evaluated the impact of CaP on rice seedlings under varying Cd stress conditions and investigated the effect mechanism of CaP mitigating Cd toxicity by Fourier transform infrared spectroscopy (FTIR), fluorescent probe dye, immunofluorescent labeling, and biochemical analysis. We found a notable alleviation of Cd toxicity by reduced malondialdehyde content and increased peroxidase activity. In addition, our findings reveal that CaP induces structural alterations in the root cell wall by modulating pectin methylesterase activity. Altogether, our results confirm that CaP not only promoted biomass accumulation but also reduced Cd concentration in rice. This study contributes valuable insights to sustainable strategies for addressing Cd contamination in agricultural ecosystems.


Asunto(s)
Cadmio , Malondialdehído , Oryza , Estrés Oxidativo , Pectinas , Oryza/efectos de los fármacos , Oryza/metabolismo , Cadmio/toxicidad , Estrés Oxidativo/efectos de los fármacos , Pectinas/metabolismo , Malondialdehído/metabolismo , Proteínas de Plantas/metabolismo , Hidrolasas de Éster Carboxílico/metabolismo , Pared Celular/metabolismo , Pared Celular/efectos de los fármacos , Plantones/efectos de los fármacos , Plantones/metabolismo , Plantones/crecimiento & desarrollo , Péptidos/metabolismo , Raíces de Plantas/efectos de los fármacos , Raíces de Plantas/metabolismo , Espectroscopía Infrarroja por Transformada de Fourier
20.
Sci Rep ; 14(1): 13160, 2024 06 07.
Artículo en Inglés | MEDLINE | ID: mdl-38849424

RESUMEN

FN-doped carbon dots were synthesized using powdered leaves of Moringa oleifera L./Chromolaena odorata L./Tridax procumbens L./Tinospora cordifolia L./ and Lantana camara L., along with a precursor called 4,5-difluoro-1,2-benzenediamine (DFBD) and compared against the drug zaltoprofen derived carbon dots. They were assessed for their optical and structural characteristics using photoluminescence (optimal emission λ of 600 nm), vibrational (FTIR) spectroscopy (characteristic wave numbers of 1156 and 1269 cm-1 for C-F), as well as X-ray diffraction (XRD) (highest intensity at 27.56°) and high-resolution transmission electron microscopy (HR-TEM) (particles in the size range of 15-20 nm). Further, field emission scanning electron microscopy (FESEM) / energy dispersive spectroscopy (EDX) indicated FN doping of oval/oblong carbon dots. Membrane protection in percent is found to be 55.3 and 80.4 for FN-CDs and Z-FN-CDs respectively. The DPPH-free radical scavenging activity by FN-CDs was 69.4%, while with Z-FN-CDs, it was 54.2%. When tested on six bacterial strains (three each for gram-positive and gram-negative), the FN-CDs displayed a halo (ZOI) between 9 and 19 mm, whereas the Z-FN-CDs displayed a clearance zone between 9 and 17 mm. The FN-CDs showed significant emission-red-shift effects and demonstrated concentration-dependent biocompatibility and viability in neuroblastoma and beta-TC6-cell lines.


Asunto(s)
Materiales Biocompatibles , Carbono , Plantas Medicinales , Carbono/química , Materiales Biocompatibles/química , Materiales Biocompatibles/farmacología , Plantas Medicinales/química , Puntos Cuánticos/química , Hojas de la Planta/química , Extractos Vegetales/química , Extractos Vegetales/farmacología , Antibacterianos/farmacología , Antibacterianos/química , Pruebas de Sensibilidad Microbiana , Humanos , Espectroscopía Infrarroja por Transformada de Fourier , Antioxidantes/farmacología , Antioxidantes/química
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