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1.
Life Sci ; 264: 118502, 2021 Jan 01.
Artigo em Inglês | MEDLINE | ID: mdl-33031825

RESUMO

Bone tissue engineering compasses the use of mesenchymal stem cells (MSCs) along with engineered biomaterial construct to augment bone regeneration. Till now, MSCs were isolated from various sources and used in cellular constructs. For the first time, in this study, MSCs were isolated from human Ovarian Follicular Fluid (OFF) and characterized by CD 44+ and CD 105+ markers via confocal microscopy and flow cytometry. Additionally, MSCs stemness, proliferation and colony-forming unit ability, multi-lineage differentiation potential were also studied. To test its suitability for bone tissue engineering applications, we grew the MSCs with the conditioned medium obtained from biocomposite scaffold by fusing a natural polymer, Chitosan (CS) and a synthetic polymer, Polycaprolactone (PCL) and the scaffold were coated with Zinc divalent ions to impart osteogenic properties. The physico-chemical characterization of scaffold, such as FTIR, XRD, and SEM studies was carried out. The biological characterization showed that the scaffolds were compatible with MSCs and promoted osteoblast differentiation which was confirmed at both cellular and molecular levels. The cellular construct increased calcium deposition, analyzed by alizarin red staining and ALP activity at cellular level. At the molecular level, the osteoblast markers expression such as Runx2 and type 1 collagen mRNAs, and osteonectin (ON) and osteocalcin (OC) secretory proteins were increased in the presence of scaffold. Overall, the current study recommends that MSCs can be easily obtained from human waste OFF, and grown in standard in vitro conditions. Successful growth of such MSCs with CS/PCL/Zn scaffold opens new avenues in utilizing the cell source for bone tissue engineering.


Assuntos
Materiais Biocompatíveis , Regeneração Óssea/fisiologia , Líquido Folicular/fisiologia , Folículo Ovariano/fisiologia , Engenharia Tecidual/métodos , Tecidos Suporte , Adulto , Materiais Biocompatíveis/administração & dosagem , Regeneração Óssea/efeitos dos fármacos , Osso e Ossos/citologia , Osso e Ossos/efeitos dos fármacos , Osso e Ossos/fisiologia , Células Cultivadas , Quitosana/administração & dosagem , Feminino , Líquido Folicular/citologia , Líquido Folicular/efeitos dos fármacos , Humanos , Células-Tronco Mesenquimais , Recuperação de Oócitos/métodos , Osteogênese/efeitos dos fármacos , Osteogênese/fisiologia , Folículo Ovariano/efeitos dos fármacos , Poliésteres/administração & dosagem , Espectroscopia de Infravermelho com Transformada de Fourier/métodos , Difração de Raios X/métodos , Zinco/administração & dosagem
2.
Food Chem ; 339: 127791, 2021 Mar 01.
Artigo em Inglês | MEDLINE | ID: mdl-32860997

RESUMO

Monoterpenes are non-polar secondary metabolites widely used by industry due to their excellent therapeutic, food-ingredient and cosmetic properties. However, their low solubility in water limits their use. In this sense, cyclodextrins (CDs) have been widely used to solve these technological challenges. Thus, this study aims to use (-)-borneol as a monoterpene model to prepare inclusion complexes between ß-CD and hydroxypropyl-ß-CD (HP-ß-CD) through different ways and characterize them in order to choose the best inclusion method to improve physicochemical properties of monoterpenes. To achieve this goal, the samples were prepared by physical mixture (PM), paste complex (PA) and freeze-drying complex (FD) and then, extensively characterized by thermal analysis, Fourier-transform infrared spectroscopy, scanning electron microscopy, size particle, X-ray diffraction and nuclear magnetic resonance. The physicochemical results showed that freeze-drying was more effective to form inclusion complexes between (-)-borneol with both CDs. This research highlights the importance of recognizing the best method to prepare inclusion complexes, including food additives as (-)-borneol, to achieve better results in food preparations.


Assuntos
Canfanos/química , beta-Ciclodextrinas/química , 2-Hidroxipropil-beta-Ciclodextrina/química , Varredura Diferencial de Calorimetria , Ingredientes de Alimentos , Liofilização/métodos , Espectroscopia de Ressonância Magnética , Microscopia Eletrônica de Varredura , Monoterpenos/química , Tamanho da Partícula , Solubilidade , Espectroscopia de Infravermelho com Transformada de Fourier/métodos , Difração de Raios X
3.
AAPS PharmSciTech ; 21(7): 276, 2020 Oct 08.
Artigo em Inglês | MEDLINE | ID: mdl-33033890

RESUMO

The aim of this study was to introduce smectite clay matrices as a drug delivery carrier for the development of amorphous solid dispersions (ASD). Indomethacin (IND) was processed with two different smectite clays, magnesium aluminium and lithium magnesium sodium silicates, using hot melt extrusion (HME) to prepare solid dispersions. Scanning electron microscopy (SEM), powdered X-ray diffraction (PXRD), and differential scanning calorimetry (DSC) were used to examine the physical form of the drug. Energy-dispersive X-ray (EDX) spectroscopy was used to investigate the drug distribution, and attenuated total reflectance-Fourier transform infrared (ATR-FTIR) spectroscopic analysis was done to detect any chemical interaction between these two kinds. Both PXRD and DSC analyses showed that drug-clay solid dispersion contained IND in amorphous form. EDX analysis showed a uniform IND dispersion in the extruded powders. ATR-FTIR data presented possible drug and clay interactions via hydrogen bonding. In vitro drug dissolution studies revealed a lag time of about 2 h in the acidic media and a rapid release of IND at pH 7.4. The work demonstrates that preparation of amorphous solid dispersion using inorganic smectite clay particles can effectively increase the dissolution rate of IND.


Assuntos
Anti-Inflamatórios não Esteroides/química , Tecnologia de Extrusão por Fusão a Quente/métodos , Indometacina/química , Silicatos/química , Varredura Diferencial de Calorimetria , Portadores de Fármacos/química , Composição de Medicamentos/métodos , Liberação Controlada de Fármacos , Estabilidade de Medicamentos , Excipientes/química , Difração de Pó , Solubilidade , Espectroscopia de Infravermelho com Transformada de Fourier/métodos , Difração de Raios X
4.
J Oleo Sci ; 69(11): 1373-1380, 2020 Nov 01.
Artigo em Inglês | MEDLINE | ID: mdl-33055436

RESUMO

According to CODEX, moisture and volatile matter are olive oil quality parameters and the development of a rapid screening method for the determination of moisture is of interest. We recently demonstrated for the first time that the weak near-infrared (NIR) band near 5260 cm-1 is primarily attributed to a water O-H combination band. To determine the intensity of this band, we measured the peak-to-peak (p-p) height of its first derivative and generated exponential calibration curves for p-p height versus gravimetrically determined concentrations of spiked water in olive oils that had been purged of their initial moisture contents. To further optimize this univariate calibration method, calibration curves were generated in the present study based on plotting the moisture band first derivative p-p heights for neat olive oils (that were neither purged nor spiked) versus the moisture concentrations obtained by the Karl-Fischer (KF) primary reference method. To enhance the speed of FT-NIR data collection, measurements were carried in the transmission mode using disposable glass tubes. We also developed and compared a multivariate partial least squares approach to the univariate one. All the spectra were collected in two separate laboratories using two FT-NIR spectrometers of the same brand and model and no significant difference (p > 0.05) was found between the two laboratory determinations and the KF reference values at a 95% confidence interval. High accuracies were found with the two FT-NIR instruments used, as indicated by the low root mean squared error (RMSE, %) for predicted values obtained with the univariate procedure (RMSE = 0.008% and 0.010%) and the multivariate one, which yielded an even lower value (RMSE= 0.007% for both instruments). These results suggest that, once validated, the FT-NIR approach could potentially be a rapid substitute for the KF method.


Assuntos
Análise de Alimentos/métodos , Qualidade dos Alimentos , Azeite de Oliva/química , Espectroscopia de Infravermelho com Transformada de Fourier/métodos , Espectroscopia de Luz Próxima ao Infravermelho/métodos , Água/análise , Calibragem , Sensibilidade e Especificidade
5.
AAPS PharmSciTech ; 21(7): 267, 2020 Oct 02.
Artigo em Inglês | MEDLINE | ID: mdl-33006710

RESUMO

This study was conducted to formulate buccal films consisting of polyvinyl alcohol (PVA) and poly-N-hydroxyethyl-aspartamide (PHEA), to improve the dissolution of the drug through the oral mucosa. Ibuprofen sodium salt was used as a model drug, and the buccal film was expected to enhance its dissolution rate. Two different concentrations of PVA (5% w/v and 7.5% w/v) were used. Solvent casting was used to prepare films, where a solution consisting of drug and polymer was cast and allowed to dry. Attenuated total reflection Fourier transform infrared spectroscopy (ATR-FTIR), differential scanning calorimetry (DSC), and scanning electron microscopy (SEM) were used to investigate the properties of films. In vitro dissolution studies were also conducted to investigate drug release. SEM studies showed that films containing a higher concentration of PVA had larger particles in microrange. FTIR studies confirmed the presence of the drug in films and indicated that ibuprofen sodium did not react with polymers. DSC studies confirmed the crystalline form of ibuprofen sodium when incorporated within films. In vitro dissolution studies found that the dissolution percentage of ibuprofen sodium alone was increased when incorporated within the film from 59 to 74%. This study led to the development of solid microcrystalline dispersion as a buccal film with a faster dissolution rate than the drug alone overcoming problem of poor solubility.


Assuntos
Ácido Aspártico/química , Poli-Hidroxietil Metacrilato/análogos & derivados , Álcool de Polivinil/química , Amidas/química , Varredura Diferencial de Calorimetria , Cristalização , Liberação Controlada de Fármacos , Ibuprofeno/química , Microscopia Eletrônica de Varredura , Poli-Hidroxietil Metacrilato/química , Polímeros/química , Solubilidade , Espectroscopia de Infravermelho com Transformada de Fourier/métodos
6.
PLoS One ; 15(9): e0237502, 2020.
Artigo em Inglês | MEDLINE | ID: mdl-32956377

RESUMO

Employing an integrated approach to investigate the use of Late Lower Paleolithic flint tools found at the site of Qesem Cave (Israel), we revealed a particular trace pattern related to the employment of ashes at the site. Using a designated collection of replica items and combining use-wear and residue (morphological analysis, FTIR, SEM-EDX) analyses, we revealed the intentional use of ashes in preserving foods for delayed consumption as well as hide for delayed processing. Our interpretation, we believe is the most plausible one since we were able to delineate the specific use-wear fingerprints of the intentional use of ashes for such purposes, suggesting that our approach might be useful for the recognition of other similar functional-behavioral patterns. Lastly, in support of previous findings at Qesem Cave, our current findings present evidence for the processing of organic matters intentionally mixed with ash, leading us to suggest that the inhabitants of Qesem Cave were proficient not only in the habitual use of fire but also of its main by-product, ash. Hence, we call for a reassessment of the timeline currently assigned to hominins' utilization of ash for storing and processing vegetal foods and hide.


Assuntos
Cavernas , Fogo/história , Animais , Arqueologia/métodos , Manipulação de Alimentos/história , História Antiga , Hominidae , Israel , Espectroscopia de Infravermelho com Transformada de Fourier/métodos , Comportamento de Utilização de Ferramentas
7.
AAPS PharmSciTech ; 21(7): 258, 2020 Sep 07.
Artigo em Inglês | MEDLINE | ID: mdl-32895882

RESUMO

The present study aimed to develop a cucurbitacin B microemulsion (CuB-ME) and investigate the mechanism of the enhanced drug skin absorption at the molecular level. Firstly, the pseudo-ternary phase diagrams were developed to evaluate the effect of composition on microemulsion properties systematically. The formulation composition types and ratios of oil phase, surfactant, co-surfactant, and aqueous phase were optimized by an in vitro skin permeation experiment, and the optimized formula was confirmed with the pharmacodynamics study. Furthermore, the molecular mechanism of enhanced skin permeation was investigated using ATR-FTIR and molecular modeling. As a result, the optimized CuB-ME formulation was composed of Azone:Tween 80:ethanol:water = 2.5:16.9:5.6:75.0 (w/w/w/w). The oil phase improved skin permeation by disordering the stratum corneum intercellular liquid, while the aqueous phase impacted the particle size of the microemulsion and permeability coefficient of the drug. Besides, the hydration state of skin lipid also enhanced drug permeation by the interaction of water and the polar head of ceramide. The in vitro skin permeation amount was 45.47 ± 10.39 µg/cm2, and no significant skin irritation was observed. The pharmacodynamics study demonstrated that CuB-ME had a significant therapeutic effect on the animal tumor model. In conclusion, the CuB-ME was developed successfully and the effect of the oil phase and aqueous phase on drug skin permeation was clarified at the molecular level.


Assuntos
Emulsões/química , Triterpenos/administração & dosagem , Administração Cutânea , Animais , Modelos Moleculares , Tamanho da Partícula , Permeabilidade , Polissorbatos , Pele/metabolismo , Absorção Cutânea , Espectroscopia de Infravermelho com Transformada de Fourier/métodos , Tensoativos/química , Triterpenos/química , Água/química
8.
J Food Sci ; 85(10): 3052-3060, 2020 Oct.
Artigo em Inglês | MEDLINE | ID: mdl-32856308

RESUMO

Quality protein maize (QPM) is a biofortified maize rich in lysine and tryptophan, essential amino acids required in human nutrition. This research therefore characterizes native and modified starches from QPM by evaluating the physicochemical properties, Fourier transform infrared spectra (FTIR), and pasting properties. The native QPM starch was modified by oxidation, acetylation, pregelatinization, and acid thinning techniques. The starch yield of native QPM was 43.80%, while that of modified starches were from 88.22 to 98.34%. The moisture content of the native and modified starches was from 4.56 to 9.20 g/100g. Modifications significantly (P ≤ 0.05) reduced the lipid, protein, and amylose contents of the QPM. While the native starch had 0.72 g/cm3 bulk density, modified starches were between 0.59 and 0.88 g/cm3 ; chemical modification reduced the bulk density and physical modification increased it. In addition, all the modifications except oxidation significantly (P ≤ 0.05) increased water absorption capacity. The oil absorption of the starch samples was increased by modification techniques used with the exception of physical modification. Chemical modification reduced the viscosity of QPM starch while physical modification increased it. The reducing sugar content of the starch was reduced by both the physical and chemical starch modification techniques. Acetylated sample exhibited the highest swelling power while acid-thinned sample had the least. The major functional groups identified via FTIR were OH, C-H, C=H, and C≡H. Modifications did not affect the functional groups as all the native and modified starches (except oxidized sample) all have similar spectrum and bands stretch. PRACTICAL APPLICATION: The study contributes to existing knowledge on valorization of modified starch from quality protein maize. Profiling the chemical attributes of modified starches is especially valuable in novel food processing techniques.


Assuntos
Plantas Geneticamente Modificadas/química , Amido/química , Zea mays/química , Amilose/química , Oxirredução , Proteínas de Plantas/química , Solubilidade , Espectroscopia de Infravermelho com Transformada de Fourier/métodos , Viscosidade , Água/química
9.
Sci Rep ; 10(1): 13738, 2020 08 13.
Artigo em Inglês | MEDLINE | ID: mdl-32792661

RESUMO

Selenium-doped nanostructure has been considered as an attractive approach to enhance the antibacterial activity of calcium phosphate (CaP) materials in diverse medical applications. In this study, the selenium-doped biphasic calcium phosphate nanoparticles (SeB-NPs) were first synthesized. Then, silver was in situ incorporated into SeB-NPs to obtain nanostructured composite nanoparticles (AgSeB-NPs). Both SeB-NPs and AgSeB-NPs were characterized by Fourier transform infrared spectroscopy (FT-IR), X-ray diffraction (XRD), ultraviolet-visible spectroscopy (UV-Vis), X-ray photoelectron spectroscopy (XPS), and Raman spectra. The results confirmed that the SeO32- was doped at the PO43- position and silver nanoparticles were deposited on the surface of SeB-NPs. Next, Transmission Electron Microscopy (TEM) analysis displayed that the prepared AgSeB-NPs had a needle-cluster-like morphology. CCK-8 analysis revealed SeB-NPs and AgSeB-NPs had good cytocompatibility with osteoblasts. The antibacterial activity of the prepared AgSeB-NPs was confirmed by using Gram-negative E. coli and Gram-positive S. aureus. The above results manifested the significance of the final AgSeB-NPs for biomedical applications.


Assuntos
Antibacterianos/farmacologia , Hidroxiapatitas/química , Hidroxiapatitas/farmacologia , Nanopartículas Metálicas/química , Nanoestruturas/química , Selênio/química , Células Cultivadas , Escherichia coli/efeitos dos fármacos , Humanos , Testes de Sensibilidade Microbiana/métodos , Microscopia Eletrônica de Transmissão/métodos , Tamanho da Partícula , Espectroscopia Fotoeletrônica/métodos , Prata/química , Espectrofotometria Ultravioleta/métodos , Espectroscopia de Infravermelho com Transformada de Fourier/métodos , Staphylococcus aureus/efeitos dos fármacos , Difração de Raios X/métodos
10.
AAPS PharmSciTech ; 21(6): 235, 2020 Aug 14.
Artigo em Inglês | MEDLINE | ID: mdl-32803528

RESUMO

Development of a delivery system to lower systemic toxicity and enhance doxorubicin (DOX) antitumor efficacy against multi-drug resistant (MDR) tumors is of great clinical significance. Here, lipid/hyaluronic acid (HA)-coated DOX-Fe3O4 was characterized to determine its optimal safety and efficacy on a tumor. DOX was first conjugated onto the Fe3O4 NPs surface, which was subsequently coated with phosphatidylcholine (PC) lipids, which consisted of a tumor cell-targeting HA ligand, to generate a dual-targeting nanoparticle (NP). DOX-Fe3O4 synthesis was validated by the Fourier-transform infrared (FT-IR) analysis results. Core-shell PC/HA@DOX-Fe3O4 formation, which had an average particle size of 48.2 nm, was observed based on the transmission electron microscopy (TEM) and dynamic laser light scattering (DLS) results. The saturation magnetization value of PC/HA@DOX-Fe3O4 was discovered to be 28 emu/g using vibrating-sample magnetometry. Furthermore, the designed PC/HA@DOX-Fe3O4 achieved greater MCF-7/ADR cellular uptake and cytotoxicity as compared with DOX. In addition, PC/HA@DOX-Fe3O4 exhibited significant DOX tumor-targeting capabilities and enhanced tumor growth inhibition activity in the xenograft MCF-7/ADR tumor-bearing nude mice following magnetic attraction and ligand-mediated targeting, with less cardiotoxicity. Therefore, PC/HA@DOX-Fe3O4 is a potential candidate for MDR tumor chemotherapy. Graphical abstract.


Assuntos
Antibióticos Antineoplásicos/administração & dosagem , Doxorrubicina/administração & dosagem , Sistemas de Liberação de Medicamentos/métodos , Compostos Férricos/administração & dosagem , Ácido Hialurônico/administração & dosagem , Nanopartículas/administração & dosagem , Animais , Antibióticos Antineoplásicos/síntese química , Doxorrubicina/síntese química , Compostos Férricos/síntese química , Humanos , Ácido Hialurônico/síntese química , Lipídeos , Células MCF-7 , Camundongos , Camundongos Nus , Nanopartículas/química , Tamanho da Partícula , Distribuição Aleatória , Espectroscopia de Infravermelho com Transformada de Fourier/métodos , Ensaios Antitumorais Modelo de Xenoenxerto/métodos
11.
PLoS One ; 15(8): e0238149, 2020.
Artigo em Inglês | MEDLINE | ID: mdl-32833991

RESUMO

As a characteristic edible fungus with a high nutritional value and medicinal effect, the Bachu mushroom has a broad market. To distinguish among Bachu mushrooms with high value and other fungi effectively and accurately, as well as to explore a universal identification method, this study proposed a method to identify Bachu mushrooms by Fourier Transform Infrared Spectroscopy (FT-IR) combined with machine learning. In this experiment, two kinds of common edible mushrooms, Lentinus edodes and club fungi, were selected and classified with Bachu mushrooms. Due to the different distribution of nutrients in the caps and stalks, the caps and stalks were studied in this experiment. By comparing the average normalized infrared spectra of the caps and stalks of the three types of fungi, we found differences in their infrared spectra, indicating that the latter can be used to classify and identify the three types of fungi. We also used machine learning to process the spectral data. The overall steps of data processing are as follows: use partial least squares (PLS) to extract spectral features, select the appropriate characteristic number, use different classification algorithms for classification, and finally determine the best algorithm according to the classification results. Among them, the basis of selecting the characteristic number was the cumulative variance interpretation rate. To improve the reliability of the experimental results, this study also used the classification results to verify the feasibility. The classification algorithms used in this study were the support vector machine (SVM), backpropagation neural network (BPNN) and k-nearest neighbors (KNN) algorithm. The results showed that the three algorithms achieved good results in the multivariate classification of the caps and stalks data. Moreover, the cumulative variance explanation rate could be used to select the characteristic number. Finally, by comparing the classification results of the three algorithms, the classification effect of KNN was found to be the best. Additionally, the classification results were as follows: according to the caps data classification, the accuracy was 99.06%; according to the stalks data classification, the accuracy was 99.82%. This study showed that infrared spectroscopy combined with a machine learning algorithm has the potential to be applied to identify Bachu mushrooms and the cumulative variance explanation rate can be used to select the characteristic number. This method can also be used to identify other types of edible fungi and has a broad application prospect.


Assuntos
Agaricales/classificação , Espectroscopia de Infravermelho com Transformada de Fourier/métodos , Algoritmos , Confiabilidade dos Dados , Análise Discriminante , Fungos/classificação , Análise dos Mínimos Quadrados , Aprendizado de Máquina , Redes Neurais de Computação , Análise de Componente Principal/métodos , Reprodutibilidade dos Testes , Cogumelos Shiitake , Espectrofotometria Infravermelho/métodos , Máquina de Vetores de Suporte
12.
AAPS PharmSciTech ; 21(7): 241, 2020 Aug 24.
Artigo em Inglês | MEDLINE | ID: mdl-32839899

RESUMO

Rutin has many biological activities, but poor solubility and absorption limit its oral application. This study aimed to investigate the characterization of metastable rutin-ethanolate and its solubility and oral bioavailability. In this research, a soluble rutin/CH3CH2OH solvate (Form Π) was prepared by solvent crystallization. High-performance liquid chromatography, gas chromatograph, and 1H-NMR showed that Form Π was formed by rutin and ethanol in a molar ratio of 1:1. The changes of Fourier transform infrared spectroscopy and 1H-NMR spectrum and the density functional theory (DFT) calculation predicted hydrogen bond formation between 4'-O of rutin and -OH of ethanol. The results of morphology, solid state CP/MAS 13C-NMR, X-ray diffraction, and differential scanning calorimetry (DSC) revealed that Form Π is a novel polymorph that differs from Form Ι (rutin trihydrate). Form Π can be stored for a long time under sealed and dry conditions at 40°C but would gradually transform into Form Ι under humid conditions. Although Form Π is a new metastable polymorph relative to Form Ι, Form Π has better solubility and faster dissolution rate. Moreover, the bioavailability of Form Π was 2.04 times higher than that of Form Ι. This outcome implied that Form Π would be a prospective raw material of oral preparation.


Assuntos
Rutina/química , Administração Oral , Disponibilidade Biológica , Varredura Diferencial de Calorimetria , Cristalografia por Raios X/métodos , Etanol/química , Espectroscopia de Ressonância Magnética , Estudos Prospectivos , Rutina/farmacocinética , Solubilidade , Espectroscopia de Infravermelho com Transformada de Fourier/métodos
13.
AAPS PharmSciTech ; 21(7): 237, 2020 Aug 17.
Artigo em Inglês | MEDLINE | ID: mdl-32808055

RESUMO

Valero-fenbendazole (VAL-FBZ) is a novel hybrid compound with in vitro anthelmintic activity, designed and synthesized to address the global problem of resistance to anthelmintic compounds. This new molecule derives from fenbendazole (FBZ), a well-known commercially available benzimidazole used in veterinary medicine despite its poor water solubility. In this work, we report for the first time a strategy to solve the solubility problems of FBZ and VAL-FBZ by means of self-dispersible nanocrystals (SDNC). Nanocrystals were prepared by media milling followed by a spray-drying step, and a comprehensive and exhaustive structural and physicochemical characterization was carried out, in order to understand the systems and their behavior. The formulation poloxamer 188 (P188):FBZ 1:1 turned out with the best process yield (53%) and re-dispersability properties, particle size average of 258 nm, and polydispersity index of 0.2 after redispersion in water. The dissolution profile showed a markedly increased dissolution rate compared with the simple mixture of the components (80% FBZ dissolved in 15 min from the SDNC vs 14% from the control formulation). FTIR spectroscopy, thermal analysis, and X-Ray Powder Diffraction (XRPD) studies showed no chemical interactions between components and an extensive confocal Raman microscopy analysis of the formulations showed very homogeneous spatial distribution of components in the SDNC samples. This manufacturing process was then successfully transferred for preparing and characterizing VAL-FBZ:P188 (1:1) SDNC with similar results, suggesting the promising interest of a novel anthelmintic with improved biopharmaceutical behavior. In conclusion, new FBZ and VAL-FBZ SDNC with improved dissolution rate were successfully prepared and characterized. Graphical abstract.


Assuntos
Fenbendazol/química , Lactamas/química , Nanopartículas/química , Dessecação , Excipientes/química , Tamanho da Partícula , Poloxâmero/química , Difração de Pó , Solubilidade , Espectroscopia de Infravermelho com Transformada de Fourier/métodos , Água/química
14.
Ecotoxicol Environ Saf ; 204: 111129, 2020 Nov.
Artigo em Inglês | MEDLINE | ID: mdl-32805505

RESUMO

Anaerobic digestate has been widely used for agricultural activities as an organic fertilizer product. Dissolved organic matter (DOM) derived from anaerobic digestate plays a key role in the speciation, bioavailability and ultimate fate of metals that is related to agriculture and food safety as well as the soil environment. Hence, the binding properties of Cu, Pb and Zn with digestate DOM are investigated using two-dimensional correlation spectroscopy (2D-COS) in combination with ultraviolet absorption, synchronous fluorescence spectra (SFS) and Fourier transform infrared (FTIR) spectroscopy. The 2D absorption COS shows that the DOM at 200 nm is most susceptive with the addition of Pb, followed by Zn and Cu. The log-transformed absorption spectra can also obtain more valuable signals than that from conventional absorption spectra. The 2D-SFS-COS indicates that protein-like peak is more sensitive to the variation of the concentration of metal ions, and fulvic-like substances can preferentially interact with the three heavy metals (HMs). The 2D-FTIR-COS reveals that Cu(II) and Zn(II) ions can be bonded preferentially to the N-H of secondary amide (II), and phenolic OH groups shows a favorable binding with Pb(II). Humic-like peaks with Cu(II) and Zn(II) obtains relatively higher log KM values than fulvic- and protein-like substances. However, the proportion of initial fluorescence (f) for DOM-Cu(II) and DOM-Zn(II) decreased with an increase in wavelength. Protein-like materials have more fluorescent substances that can combine with Cu(II) and Zn(II). This study provides a guide for understanding the geochemical behavior of metal ions in agricultural soils when anaerobic digestate is applied as an organic fertilizer product.


Assuntos
Substâncias Húmicas/análise , Esterco/microbiologia , Metais Pesados/química , Anaerobiose , Animais , Galinhas , Fertilizantes , Fluorescência , Solo/química , Espectrometria de Fluorescência/métodos , Espectroscopia de Infravermelho com Transformada de Fourier/métodos
15.
Sci Rep ; 10(1): 11713, 2020 07 16.
Artigo em Inglês | MEDLINE | ID: mdl-32678217

RESUMO

The ovalbumin-induced (OVA) chronic allergic airways murine model is a well-established model for investigating pre-clinical therapies for chronic allergic airways diseases, such as asthma. Here, we examined the effects of several experimental compounds with potential anti-asthmatic effects including resveratrol (RV), relaxin (RLN), L-sulforaphane (LSF), valproic acid (VPA), and trichostatin A (TSA) using both a prevention and reversal model of chronic allergic airways disease. We undertook a novel analytical approach using focal plane array (FPA) and synchrotron Fourier-transform infrared (S-FTIR) microspectroscopic techniques to provide new insights into the mechanisms of action of these experimental compounds. Apart from the typical biological effects, S-FTIR microspectroscopy was able to detect changes in nucleic acids and protein acetylation. Further, we validated the reduction in collagen deposition induced by each experimental compound evaluated. Although this has previously been observed with conventional histological methods, the S-FTIR technique has the advantage of allowing identification of the type of collagen present. More generally, our findings highlight the potential utility of S-FTIR and FPA-FTIR imaging techniques in enabling a better mechanistic understanding of novel asthma therapeutics.


Assuntos
Antiasmáticos/administração & dosagem , Asma/tratamento farmacológico , Ácidos Hidroxâmicos/administração & dosagem , Isotiocianatos/administração & dosagem , Relaxina/administração & dosagem , Resveratrol/administração & dosagem , Ácido Valproico/administração & dosagem , Animais , Asma/induzido quimicamente , Doença Crônica/tratamento farmacológico , Modelos Animais de Doenças , Avaliação Pré-Clínica de Medicamentos/métodos , Feminino , Camundongos , Camundongos Endogâmicos BALB C , Ovalbumina/efeitos adversos , Espectroscopia de Infravermelho com Transformada de Fourier/métodos , Síncrotrons , Resultado do Tratamento
16.
Prostate ; 80(13): 1071-1086, 2020 09.
Artigo em Inglês | MEDLINE | ID: mdl-32687633

RESUMO

BACKGROUND: The emergence of reactive stroma is a hallmark of prostate cancer (PCa) progression and a potential source for prognostic and diagnostic markers of PCa. Collagen is a main component of reactive stroma and changes systematically and quantitatively to reflect the course of PCa, yet has remained undefined due to a lack of tools that can define collagen protein structure. Here we use a novel collagen-targeting proteomics approach to investigate zonal regulation of collagen-type proteins in PCa prostatectomies. METHODS: Prostatectomies from nine patients were divided into zones containing 0%, 5%, 20%, 70% to 80% glandular tissue and 0%, 5%, 25%, 70% by mass of PCa tumor following the McNeal model. Tissue sections from zones were graded by a pathologist for Gleason score, percent tumor present, percent prostatic intraepithelial neoplasia and/or inflammation (INF). High-resolution accurate mass collagen targeting proteomics was done on a select subset of tissue sections from patient-matched tumor or nontumor zones. Imaging mass spectrometry was used to investigate collagen-type regulation corresponding to pathologist-defined regions. RESULTS: Complex collagen proteomes were detected from all zones. COL17A and COL27A increased in zones of INF compared with zones with tumor present. COL3A1, COL4A5, and COL8A2 consistently increased in zones with tumor content, independent of tumor size. Collagen hydroxylation of proline (HYP) was altered in tumor zones compared with zones with INF and no tumor. COL3A1 and COL5A1 showed significant changes in HYP peptide ratios within tumor compared with zones of INF (2.59 ± 0.29, P value: .015; 3.75 ± 0.96 P value .036, respectively). By imaging mass spectrometry COL3A1 showed defined localization and regulation to tumor pathology. COL1A1 and COL1A2 showed gradient regulation corresponding to PCa pathology across zones. Pathologist-defined tumor regions showed significant increases in COL1A1 HYP modifications compared with COL1A2 HYP modifications. Certain COL1A1 and COL1A2 peptides could discriminate between pathologist-defined tumor and inflammatory regions. CONCLUSIONS: Site-specific posttranslational regulation of collagen structure by proline hydroxylation may be involved in reactive stroma associated with PCa progression. Translational and posttranslational regulation of collagen protein structure has potential for new markers to understand PCa progression and outcomes.


Assuntos
Colágeno/metabolismo , Neoplasias da Próstata/metabolismo , Neoplasias da Próstata/patologia , Processamento de Proteína Pós-Traducional , Idoso , Sequência de Aminoácidos , Autoantígenos , Colágeno Tipo I/metabolismo , Colágeno Tipo III/metabolismo , Colágeno Tipo IV/metabolismo , Colágeno Tipo VIII/metabolismo , Progressão da Doença , Colágenos Fibrilares/metabolismo , Humanos , Hidroxilação , Masculino , Pessoa de Meia-Idade , Proteínas de Neoplasias/metabolismo , Colágenos não Fibrilares , Prolina/metabolismo , Próstata/metabolismo , Prostatectomia , Neoplasias da Próstata/diagnóstico por imagem , Proteômica/métodos , Espectrometria de Massas por Ionização e Dessorção a Laser Assistida por Matriz/métodos , Espectroscopia de Infravermelho com Transformada de Fourier/métodos
17.
Leg Med (Tokyo) ; 47: 101748, 2020 Nov.
Artigo em Inglês | MEDLINE | ID: mdl-32682296

RESUMO

The identification of muscle hemorrhage in a cadaver that is in an advanced stage of decomposition is an important but challenging task. Our study investigated whether Fourier transform infrared (FT-IR) microspectroscopy in conjunction with chemometrics could identify muscle hemorrhage using rat cadavers with advanced decomposition. In this study, an intramuscular blood injection method, instead of a mechanical injury method, was used to construct a muscle hemorrhage model, and the modeling idea of muscle hemorrhage identification was to discriminate and classify hemoglobin-leaking myofibrils from negative myofibrils. First, the optical images of hematoxylin/eosin (H&E) stained hemorrhagic muscle at different postmortem intervals (PMIs) were observed and showed that the morphological features of whole erythrocytes disappeared since the PMI of 4 d. Subsequently, principle component analysis (PCA) was performed and indicated that the biochemical differences in protein structures between fresh erythrocytes and myofibrils can be detected by the IR spectroscopic method. Ultimately, several classification models based on the partial least square discriminant analysis (PLS-DA) algorithm were successfully constructed for different PMIs and PMI ranges and achieved great prediction performances in external validations. This preliminary study demonstrates the feasibility of using FT-IR microspectroscopy combined with chemometrics as a potential approach for identifying muscle hemorrhage in cadavers with advanced decomposition for offering vital evidences in judicial process.


Assuntos
Autopsia/métodos , Patologia Legal/métodos , Hemorragia/patologia , Músculos/patologia , Doenças Musculares/patologia , Mudanças Depois da Morte , Espectroscopia de Infravermelho com Transformada de Fourier/métodos , Animais , Modelos Animais de Doenças , Eritrócitos/patologia , Masculino , Miofibrilas/patologia , Análise de Componente Principal , Ratos Sprague-Dawley
18.
Food Chem ; 328: 127164, 2020 Oct 30.
Artigo em Inglês | MEDLINE | ID: mdl-32485587

RESUMO

The identification of grapevine (Vitis vinifera L.) genotypes is conventionally a laborious activity that must be carried out by specialized staff. In this work a novel and simple method for differentiation of grapevine genotypes is presented. Direct measurements of leaves by attenuated total reflectance Fourier-transform infrared spectroscopy (ATR-FTIR) combined with chemometric methods were used for classification of six genotypes (five varieties and a pair of clones), viz. Cinsault, Gewurztraminer (clone 643), Moscatel de Alejandría, País, Pinot Noir (French clone 777), Pinot Noir (local clone 'Valdivieso'). These were successfully classified and identified through supervised pattern recognition methods such as soft independent modeling of class analogy (SIMCA) and partial least square discriminant analysis (PLS-DA). The error rate for spectra classification of test sets by both models was 0.08. The results demonstrate the advantages of using ATR-FTIR as a rapid and non-destructive tool that achieves accurate grapevine genotype differentiation.


Assuntos
Espectroscopia de Infravermelho com Transformada de Fourier/métodos , Vitis/química , Vitis/genética , Chile , Análise Discriminante , Genótipo , Análise dos Mínimos Quadrados , Folhas de Planta/química , Espectroscopia de Infravermelho com Transformada de Fourier/estatística & dados numéricos
19.
AAPS PharmSciTech ; 21(5): 163, 2020 Jun 02.
Artigo em Inglês | MEDLINE | ID: mdl-32488738

RESUMO

The aim of this study was to evaluate a multicomponent complex (MC) between rifampicin (RIF), ß-cyclodextrin (ß-CD), and selected amino acids to enhance the solubility and antibiofilm activity of RIF. After performing phase-solubility studies that demonstrated a considerable increase in the solubility of RIF for the MC, the corresponding solid system was prepared by a freeze-drying method. Characterization of the MC was performed by Fourier transform-infrared spectroscopy, thermal analysis, powder X-ray diffraction, and scanning electron microscopy. Structural analyses evidenced molecular interactions between the components, resulting in a MC with amorphous solid features. Structural studies involving both experimental (i.e., 1H NMR) and theoretical (i.e., molecular modeling) methodologies demonstrated the inclusion of the RIF piperazine ring in the ß-CD cavity. The bioactivity of the MC measured against biofilms of Staphylococcus aureus showed a significant reduction in the metabolic activity of the bacterium. Overall, the studied MC exhibited promising properties for the development of pharmaceutical formulations to treat bacterial infections.


Assuntos
Antibacterianos/farmacologia , Biofilmes/efeitos dos fármacos , Rifampina/farmacologia , Staphylococcus aureus/efeitos dos fármacos , Antibacterianos/química , Varredura Diferencial de Calorimetria , Composição de Medicamentos , Liofilização/métodos , Microscopia Eletrônica de Varredura , Pós , Rifampina/química , Solubilidade , Espectroscopia de Infravermelho com Transformada de Fourier/métodos , Difração de Raios X , beta-Ciclodextrinas/química
20.
PLoS One ; 15(6): e0234870, 2020.
Artigo em Inglês | MEDLINE | ID: mdl-32569317

RESUMO

Mucoromycota fungi possess a versatile metabolism and can utilize various substrates for production of industrially important products, such as lipids, chitin/chitosan, polyphosphates, pigments, alcohols and organic acids. However, as far as commercialisation is concerned, establishing industrial biotechnological processes based on Mucoromycota fungi is still challenging due to the high production costs compared to the final product value. Therefore, the development of co-production concept is highly desired since more than one valuable product could be produced at the time and the process has a potentially higher viability. To develop such biotechnological strategy, we applied a high throughput approach consisting of micro-titre cultivation and FTIR spectroscopy. This approach allows single-step biochemical fingerprinting of either fungal biomass or growth media without tedious extraction of metabolites. The influence of two types of nitrogen sources and different levels of inorganic phosphorus on the co-production of lipids, chitin/chitosan and polyphosphates for nine different oleaginous Mucoromycota fungi was evaluated. FTIR analysis of biochemical composition of Mucoromycota fungi and biomass yield showed that variation in inorganic phosphorus had higher effect when inorganic nitrogen source-ammonium sulphate-was used. It was observed that: (1) Umbelopsis vinacea reached almost double biomass yield compared to other strains when yeast extract was used as nitrogen source while phosphorus limitation had little effect on the biomass yield; (2) Mucor circinelloides, Rhizopus stolonifer, Amylomyces rouxii, Absidia glauca and Lichtheimia corymbifera overproduced chitin/chitosan under the low pH caused by the limitation of inorganic phosphorus; (3) Mucor circinelloides, Amylomyces rouxii, Rhizopus stolonifer and Absidia glauca were able to store polyphosphates in addition to lipids when high concentration of inorganic phosphorus was used; (4) the biomass and lipid yield of high-value lipid producers Mortierella alpina and Mortierella hyalina were significantly increased when high concentrations of inorganic phosphorus were combined with ammonium sulphate, while the same amount of inorganic phosphorus combined with yeast extract showed negative impact on the growth and lipid accumulation. FTIR spectroscopy revealed the co-production potential of several oleaginous Mucoromycota fungi forming lipids, chitin/chitosan and polyphosphates in a single cultivation process.


Assuntos
Biotecnologia/métodos , Técnicas de Cultura de Células/métodos , Quitina/biossíntese , Fungos , Lipídeos/biossíntese , Polifosfatos/metabolismo , Espectroscopia de Infravermelho com Transformada de Fourier/métodos , Meios de Cultura , Fungos/crescimento & desenvolvimento , Fungos/metabolismo , Nitrogênio/metabolismo , Fósforo/metabolismo
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