ABSTRACT
Abstract Chagas disease is a neglected parasitic disease caused by Trypanosoma cruzi, whose treatment has remained unsatisfactory for over 50 years, given that it is limited to two drugs. Benznidazole (BZN) is an efficient antichagasic drug used as the first choice, although its poor water-solubility, irregular oral absorption, low efficacy in the chronic phase, and various associated adverse effects are limiting factors for treatment. Incorporating drugs with such characteristics into nanostructured lipid carriers (NLC) is a promising alternative to overcome these limiting obstacles, enhancing drug efficacy and bioavailability while reducing toxicity. Therefore, this study proposed NLC-BZN formulations in different compositions prepared by hot-melt homogenization followed by ultrasound, and the optimized formulation was characterized by FTIR, DRX, DSC, and thermogravimetry. Biological activities included in vitro membrane toxicity (red blood cells), fibroblast cell cytotoxicity, and trypanocidal activity against epimastigotes of the Colombian strain of T. cruzi. The optimized NLC-BZN had a small size (110 nm), negative zeta potential (-18.0 mV), and high encapsulation (1.64% of drug loading), as shown by infrared spectroscopy, X-ray diffraction, and thermal analysis. The NLC-BZN also promoted lower in vitro membrane toxicity (<3% hemolysis), and 50% cytotoxic concentration (CC50) for NLC-BZN in L929 fibroblast cells (110.7 µg/mL) was twice the value as the free BZN (51.3 µg/mL). Our findings showed that the NLC-BZN had higher trypanocidal activity than free BZN against the epimastigotes of the resistant Colombian strain, and this novel NLC-BZN formulation proved to be a promising tool in treating Chagas disease and considered suitable for oral and parenteral administration
Subject(s)
Trypanosoma cruzi/isolation & purification , X-Ray Diffraction/instrumentation , Chagas Disease/pathology , Neglected Diseases/classification , Parasitic Diseases/pathology , Spectrum Analysis/instrumentation , Sprains and Strains/classification , Thermogravimetry/methods , In Vitro Techniques/methods , Pharmaceutical Preparations/analysis , Spectroscopy, Fourier Transform Infrared/methodsABSTRACT
The aim of the present study is to improve the solubility and antimicrobial activity of 3-(3-(2-chlorophenyl)prop-2-enoyl)-4-hydroxycoumarin by formulating its inclusion complexes with 2-hydroxypropyl-ß-cyclodextrin in solution and in solid state. The phase solubility study was used to investigate the interactions between 3-(3-(2-chlorophenyl)prop-2-enoyl)-4-hydroxycoumarin and 2-hydroxypropyl-ß-cyclodextrin and to estimate the molar ratio between them. The structural characterization of binary systems (prepared by physical mixing, kneading and solvent evaporation methods) was analysed using the FTIR-ATM spectroscopy. The antimicrobial activity of 3-(3-(2-chlorophenyl)prop-2-enoyl)-4-hydroxycoumarin and inclusion complexes prepared by solvent evaporation method was tested by the diffusion and dilution methods on various strains of microorganisms. The results of phase solubility studies showed that 3-(3-(2-chlorophenyl)prop-2-enoyl)-4-hydroxycoumarin formed the inclusion complexes with 2-hydroxypropyl-ß-cyclodextrin of AP type. The solubility of 3-(3-(2-chlorophenyl)prop-2-enoyl)-4-hydroxycoumarin was increased 64.05-fold with 50% w/w of 2-hydroxypropyl-ß-cyclodextrin at 37 oC. The inclusion complexes in solid state, prepared by the solvent evaporation method, showed higher solubility in purified water and in phosphate buffer solutions in comparison with 3-(3-(2-chlorophenyl)prop-2-enoyl)-4-hydroxycoumarin alone. The inclusion complexes prepared by solvent evaporation method showed higher activity on Bacillus subtilis and Staphylococcus aureus compared to uncomplexed 3-(3-(2-chlorophenyl)prop-2-enoyl)-4-hydroxycoumarin due to improved aqueous solubility, thus increasing the amount of available 3-(3-(2-chlorophenyl)prop-2-enoyl)-4-hydroxycoumarin that crosses the bacterial membrane.
Subject(s)
Solubility , Cyclodextrins/agonists , Anti-Infective Agents , Spectrum Analysis/instrumentation , Staphylococcus aureus/classification , Bacillus subtilis/classification , Spectroscopy, Fourier Transform Infrared , DilutionABSTRACT
Abstract Red lima bean (Phaseolus lunatus Linn) Family Fabaceae, has been modified by succinylation and annealing, and used as intra- and extra-granular disintegrants at concentrations of 5 and 10 %w/w in paracetamol tablet formulation in comparison with corn starch BP. The starches were characterised using FT-IR spectroscopy, SEM, proximate analysis, physicochemical and functional properties. FT-IR spectrometry revealed characteristic peaks at 1575.53 and 1713.99 cm-1 for the succinylated starch while the annealed showed no significant difference from the native starch. Modifications did not alter the ovoid shape of the native starch but reduced the particle size. Succinylation improved water absorption capacity, solubility and swelling of lima bean starch but annealing reduced the parameters. Tablets with disintegrants of lima bean starches generally had higher crushing strengths and lower friability than tablets with corn starch. Modifications reduced the disintegration time of the tablets when the starches were incorporated intra-granularly, which suggested particle-particle bond interruption and destruction of hydrogen bonds as mechanism of disintegration. Tablets containing 10 %w/w succinylated red lima bean starch incorporated intra-granularly had the highest disintegration efficiency ratio, DER, indicating a great balance between mechanical and disintegration properties. Modified red lima bean starches incorporated intra-granularly into paracetamol tablets led to faster disintegration and could efficiently substitute corn starch as disintegrant.
Subject(s)
Tablets/pharmacology , Abrus/classification , Starch and Fecula , Acetaminophen/classification , Spectrum Analysis/instrumentation , Spectroscopy, Fourier Transform Infrared/methodsABSTRACT
Abstract The study is aimed to assess the compatibility of bilberry leaf powder extract (BLPE) with six excipients selected for sustained-release (SR) tablet formulation. The BLPE was obtained with the addition of L-arginine and Myo-inositol as the carriers. Thermogravimetric (TG-DTG) analysis and Fourier-transform infrared spectroscopy (FTIR), supported by Pearson correlation analysis, were applied to detect possible interactions in the binary mixtures (1:1) of the BLPE with each excipient. The TG-DTG showed some deviations in the thermal behavior of the BLPE / excipient mixtures. However, only the thermal behavior of magnesium stearate in the mixture significantly differed from individual samples, which suggested chemical interaction for this excipient. The FTIR analysis confirmed that the BLPE is compatible with Eudragit L100, Methocel K4M, Methocel K100LV, Avicel PH-101, and Plasdone S-630. Whereas it undergoes solid-state chemical interaction in the binary mixture with magnesium stearate. According to the FTIR-spectra, it is suggested that this interaction results in the formation of stearic acid and alkalization of the medium. These findings evidence for the possibility of using TG-DTG analysis as an independent thermal technique for compatibility studies and also confirm the earlier reported interaction of basic lubricants, e.g., stearic salts, with active ingredients containing amino groups.
Subject(s)
Behavior , Plant Extracts/analysis , Plant Leaves/classification , Vaccinium myrtillus/adverse effects , Vaccinium myrtillus/metabolism , Delayed-Action Preparations/analysis , Spectrum Analysis/instrumentation , Thermogravimetry/instrumentation , Spectroscopy, Fourier Transform Infrared/methodsABSTRACT
Abstract In the present study, the metabolite profiling of methanolic extract from aerial parts of Satureja khuzistanica Jamzad, as an endemic medicinal plant from Iran, was evaluated using HPLC-PDA-ESI. Then, the main compound from the extract was isolated and purified by using extensive chromatographic techniques. In addition, the structure of the isolated compounds was elucidated using 1D, 2D NMR, and MS spectrometry, upon which 22 compounds were identified. The antibacterial activity of diosmetin 7-rutinoside (6) and linarin (13) in combination with carvacrol as a major compound of the essential oil was tested against Pseudomonas aeruginosa and Staphylococcus aureus through disc diffusion and minimum inhibitory concentration methods. The results indicated that the linarin, when mixed with carvacrol as the main compounds in the essential oil of the plant, has a satisfactory activity against both Pseudomonas aeruginosa and Staphylococcus aureus with MIC values of 0.16 and 0.18 µg/mL, respectively. Further, the fractional inhibitory concentration (FIC) index indicated that this compound had synergism with carvacrol.
Subject(s)
Plants, Medicinal/anatomy & histology , Oils, Volatile/analysis , Lamiaceae/chemistry , Satureja/classification , Pseudomonas aeruginosa/isolation & purification , Spectrum Analysis/instrumentation , Microbial Sensitivity Tests/instrumentation , Chromatography, High Pressure Liquid/methodsABSTRACT
Fibromyalgia is a disorder of the central nervous system, with the presence of chronic generalized pain, fatigue, morning stiffness, anxiety and depression symptoms. Higher amplitudes of the frequency band alpha2 have been associated with higher relaxationin this population. In the present study, we analysed the association between pain, anxiety, and the spectral power of alpha2 frontal in women with fibromyalgia. Thirty-one women diagnosed with fibromyalgia, for at least three months, took part in the study. Results revealed a statistically significant positive relationship between pain and anxiety levels. However, we found no association between the spectral power of alpha2 in the frontal cortex and the measures between anxiety and pain in the patients. Present findings emphasize the importance of understanding the cortical activity and the central control mechanisms in fibromyalgia.
Subject(s)
Humans , Female , Adult , Middle Aged , Pain/diagnosis , Women/psychology , Fibromyalgia/diagnosis , Frontal Lobe/pathology , Anxiety/psychology , Spectrum Analysis/instrumentation , Depression/psychology , Electroencephalography/instrumentationABSTRACT
A baixa solubilidade aquosa dos insumos farmacêuticos ativos (IFA) é um grande desafio no desenvolvimento de formulações farmacêuticas, pois pode resultar em biodisponibilidade insuficiente e variável. Diversas estratégias de modificação do estado sólido dos compostos ativos, têm sido propostas para incrementar a solubilidade de fármacos pouco solúveis em água. Dentre as estratégias abordadas a ispersão sólida (DS) é uma das formas mais promissoras de aumentar a solubilidade, dissolução e a biodisponibilidade de IFAs com baixa solubilidade aquosa. O efavirenz (EFV) é um inibidor não nucleosídeo da transcriptase reversa (NNRTI) e um dos componentes da terapia antirretroviral de alta atividade (HAART), sendo parte da primeira linha de tratamento de infecções do vírus HIV tipo 1. O antirretroviral está classificado como pertencente à classe II do SCB, e exibe baixa solubilidade aquosa (solubilidade menor que 10 µg/mL) e alta permeabilidade com absorção dependente da taxa de dissolução, resultando em biodisponibilidade oral baixa e variável. A administração de fármacos pouco solúveis na forma de DS é um método atraente para aumentar a biodisponibilidade in vivo. Neste estudo, um método de triagem rápida por evaporação de solvente foi empregado para preparar DS de EFV, variando-se proporções em misturas compostas pelos carreadores, polivinilpirrolidona K-28/32 (PVP K-28/32), copovidona (CoPVP), hidroxipropilmetilcelulose ftalato (HPMCP-50, HPMCP-55 e HPMCP-55s), poloxâmero 188 (P188) e poloxâmero 407 (P407). A solubilidade das DS foi avaliada por meio do método do equilíbrio (shake-flask), onde selecionou-se os polímeros P188 e P407 que conduziram a uma elevada capacidade de saturação em meio aquoso, superior a 1.000 vezes ao fármaco puro. As propriedades físico-químicas e do estado sólido das amostras foram avaliadas por meio de calorimetria exploratória diferencial (DSC); termogravimetria (TG); espectroscopia do infravermelho com transformada de Fourier (FTIR), difratometria de raios X pelo método do pó (DRXP) e ensaios de dissolução com emprego do aparato IV USP. Os resultados de DRXP demonstraram que os carreadores P188 e P407 foram capazes de estabilizar o EFV na forma amorfa nas DS, fato esse evidenciado pela ausência de picos característicos do antirretroviral
he low aqueous solubility of the active pharmaceutical ingredient (API) is a major challenge in the development of pharmaceutical formulations as it may result in insufficient and variable bioavailability. Several strategies for modifying the solid-state of the active compounds have been proposed to increase solubility of drugs that are poorly soluble in water. Among the strategies approaches, solid dispersion (SD) is one of the most promising ways to increase solubility, dissolution and bioavailability of APIs with low aqueous solubility. Efavirenz (EFV) is a non-nucleoside reverse transcriptase inhibitor (NNRTI) and one of the components of highly active antiretroviral therapy (HAART), being part of the first line of treatment of type 1 HIV virus infections. The antiretroviral is classified as belonging to BCS class II, and exhibits low aqueous solubility (solubility less than 10 µg / mL) and high permeability with dissolution ratedependent absorption, resulting in low and variable oral bioavailability. Drug delivery of poorly aqueous soluble drugs in form SD is an appealing method to increase in vivo bioavailability. In this study, a fast screening method of solvent evaporation method was used to prepare EFV SD, varying the proportions in mixtures composed by the carriers polyvinylpyrrolidone K-28/32 (PVP K-28/32), copovidone (CoPVP), hydroxypropylmethylcellulose phthalate (HPMCP-50, HPMCP-55 e HPMCP-55s), poloxamer 188 (P188) e poloxamer 407 (P407). The solubility of the samples was evaluated by the method of equilibrium (shake-flask), wherein the polymers P188 and P407 were selected due to the capacity to promote high saturation in aqueous medium, 1,000 times superior to the pure drug. The physicochemical and solid-state properties of the samples were evaluated by differential scanning calorimetry (DSC); thermogravimetry (TG); Fourier transform infrared spectroscopy (FTIR), X-ray powder diffraction (XRPD) and dissolution assays using the IV USP apparatus. The results of XRPD demonstrated that the carriers P188 and P407 were able to stabilize the EFV in amorphous form in the SD, a fact evidenced by the absence of characteristic peaks of the antiretroviral
Subject(s)
Pharmaceutical Preparations/administration & dosage , Pharmaceutical Raw Material , Dissolution , Spectrum Analysis/instrumentation , Calorimetry, Differential Scanning/methods , RNA-Directed DNA Polymerase/adverse effects , Spectroscopy, Fourier Transform Infrared , Poloxamer/analogs & derivatives , Antiretroviral Therapy, Highly Active/instrumentation , Hypromellose Derivatives/metabolism , Fourier AnalysisABSTRACT
O câncer é uma das principais causas de morte no mundo sendo, atualmente, a segunda principal causa de morte, perdendo apenas para as doenças cardiovasculares, tornando-se um grande desafio para as autoridades de saúde pública. No Brasil são estimados 625000 novos casos desta enfermidade para o triênio de 2020-2022. Nesse cenário, vários alvos epigenéticos são considerados alternativas no desenvolvimento de inibidores para a terapia do câncer devido serem identificados e relacionados com a carcinogênese, incluindo modificações no perfil de metilação do DNA e modificações de histonas como a metilação, acetilação e fosforilação. Dentre estas modificações, a metilação de histonas é regulada reversivelmente por histonas metiltransferases e desmetilases. A enzima desmetilase lisina-específica 1 (LSD1) foi a primeira histona desmetilase caracterizada e catalisa a remoção de grupos metila das lisinas 4 e 9 da histona H3 (H3K4 e H3K9), utilizando o FAD como cofator. Superexpressa em vários tumores de alto risco e tendo seus níveis correlacionados com a reincidência do tumor durante o tratamento, a LSD1 apresenta papel fundamental na tumorgênese. Portanto, tem sido considerado um alvo biológico promissor no desenvolvimento de novos fármacos para terapêutica contra o câncer. Sendo assim, neste trabalho, a partir de dados de triagem virtual baseado neste alvo biológico, selecionou-se um hit, o qual foi utilizado como protótipo para o planejamento de análogos visando melhorar as características farmacológicas, pois possuem grupos químicos passíveis das mesmas interações com o alvo. Foram sintetizadas 16 moléculas, sendo 7 compostos finais inéditos derivados carboxamídicos e 9 derivados sulfonamídicos. Todos os compostos foram caracterizados por RMN (1H e 13C), espectrometria de massas de alta resolução, espectroscopia de infravermelho, ponto de fusão, polarímetro e a pureza dos compostos foi avaliada por CLAE. Os compostos finais foram submetidos ao ensaio enzimático frente à LSD1, acoplado a Enzima Horseradish Peroxidase (EHP), mostrando que apenas o composto 4g apresentou atividade inibitória de 64% e 57% em 50 µM e 500 µM respectivamente. No ensaio de viabilidade celular na linhagem HEL (linhagem leucêmica) os 16 compostos (4a- 4g, 5a-5d e 6a-6d) apresentaram-se ativos com valores de CI50 na faixa de 5,3 µM a 20,25 µM. Os compostos mais potentes foram os 4e (CI50 = 6,9 µM), 5d (CI50 =5,30 µM) e 6ª (CI50 =6,61 µM), evidenciando que os compostos possuem elevada potência, tornando-se moléculas promissoras em linhagens leucêmicas. Os estudos de ancoramento molecular com a LSD1 sugeriram que a mudança de orientação do composto 4g, permitiu que o grupo benzila da porção benzilamida faça interação com os resíduos PHE560 e TYR807 no bolso hidrofóbico, o que possivelmente acarretou um bloqueio na entrada da cavidade, permitindo a inibição pelo composto
Cancer is one of the leading causes of death in the world and is currently the second leading cause of death, second only to cardiovascular disease, making it a major challenge for public health authorities. In Brazil, approximately, 625000 new cases of this disease are estimated for the 2020-2022 period. In this scenario, several epigentic targets are considered alternatives in the development of inhibitors in cancer therapy, since they are identified and related to carcinogenesis, including changes in the DNA methylation profile and changes in histones such as methylation, acetylation and phosphorylation. Among these modifications, histone methylation is reversibly regulated by histones methyltransferases and demethylases. Lysine-specific demethylase1 (LSD1) was the first histone demethylase characterized and catalyzes the removal of methyl groups from lysines 4 and 9 of histone H3 (H3K4 and H3K9), using FAD as a cofactor. LSD1 has been found to be overexpressed in several high-risk tumors and these levels are correlated with tumor recurrence during treatment. Therefore, it has been considered a promising biological target in the development of new drugs with therapeutic potential against cancer. Thus, in this work, the virtual screening technique based on the biological target was used to discover LSD1 interactions, and then based on the hit found, we propose to synthesize compounds that have chemical groups susceptible to such interactions, seeking to evaluate the enzymatic activity in LSD1 enzyme. Were synthesized 16 molecules, 7 of which are unpublished final compound derived from carboxamides and 9 sulfonamide derivatives. All compounds were characterized by NMR (1H and 13C), high resolution mass spectrometry, infrared spectroscopy, melting point, polarimeter and the purity of the compounds was assessed by CLAE. The final compounds were subjected to enzymatic assays Against LSD1, coupled with enzime Horseradish Peroxidase (HRP), showing that only the 4g compound showed 64% and 57% inhibitory activity in 50 µM and 500 µM respectively. In the cell viability assay in the HEL line (Leukemic line) the 16 compounds (4a-4g, 5a-5d and 6a-6d) were active with IC 50 values in the range of 5.3 µM to 20.25 µM. The most potent compounds were 4e (CI50 = 6.9 µM), 5d (CI50 = 5.30 µM) and 6a (CI50 = 6.61 µM), showing that the compounds have high potency, becoming promising molecules in leukemic lines. Docking studies with LSD1 suggested, that the change in orientation of the 4g compound allows the benzyl group of the benzylamide portion to interact with the PHE560 and TYR807 residues in the hydrophobic pocket, which possibly cause a block in the entrance of the cavity, allowing the inhibition by the compound. Thus, the results obtained indicate that the class of compounds described is likely to continue to be investigated, both in the search for new LSD1 inhibitory hits based on the structure of the 4g compound, how to deepen the studies with 16 compounds of the present work in the performance of more specific tests in leukemic cells, in order to unravel the mechanism of action and possible targets
Subject(s)
Histone Demethylases/antagonists & inhibitors , Antineoplastic Agents/adverse effects , Spectrum Analysis/instrumentation , Mass Spectrometry/methods , Cardiovascular Diseases , Cell Survival , Neoplasms/drug therapyABSTRACT
Microbiological quality of pharmaceuticals is fundamental in ensuring efficacy and safety of medicines. Conventional methods for microbial identification in non-sterile drugs are widely used; however they can be time-consuming and laborious. The aim of this paper was to develop a chemometric-based rapid microbiological method (RMM) for identifying contaminants in pharmaceutical products using Fourier transform infrared with attenuated total reflectance spectrometry (FTIR-ATR). Principal components analysis (PCA) and linear discriminant analysis (LDA) were used to obtain a predictive model capable of distinguishing Bacillus subtilis (ATCC 6633), Candida albicans (ATCC 10231), Enterococcus faecium (ATCC 8459), Escherichia coli (ATCC 8739), Micrococcus luteus (ATCC 10240), Pseudomonas aeruginosa (ATCC 9027), Salmonella typhimurium (ATCC 14028), Staphylococcus aureus (ATCC 6538), and Staphylococcus epidermidis (ATCC 12228) microbial growth. FTIR-ATR spectra provide data on proteins, DNA/RNA, lipids, and carbohydrates constitution of microbial growth. Microbial identification provided by PCA/LDA based on FTIR-ATR method were compatible with those obtained using traditional microbiological methods. The chemometric-based FTIR-ATR method for rapid identification of microbial contaminants in pharmaceutical products was validated by assessing the sensitivity (93.5%), specificity (83.3%), and limit of detection (17-23 CFU/mL of sample). Therefore, we propose that FTIR-ATR spectroscopy may be used for rapid identification of microbial contaminants in pharmaceutical products and taking into account the samples studied
Subject(s)
Spectrum Analysis/instrumentation , Pharmaceutical Preparations/analysis , Discriminant Analysis , Spectroscopy, Fourier Transform Infrared/methods , Fourier Analysis , Pseudomonas aeruginosa/classification , Bacillus subtilis/classification , Candida albicans/classification , Limit of DetectionABSTRACT
Introducción: Los manglares son una de las formaciones vegetales de mayor relevancia global por los servicios ecosistémicos y roles ecológicos que desempeñan, y representan el 5 % de la superficie emergida de Cuba. No existen estudios previos que describan las variaciones en los índices espectrales de vegetación por sensores remotos en los manglares cubanos, pero con este tipo de variable se pueden constituir indicadores del estado de estos ecosistemas y emplearse en evaluaciones a nivel nacional. Objetivo: En el presente trabajo se evalúa la variabilidad espacial y temporal de dos índices espectrales de vegetación en cuatro manglares periurbanos de la ciudad de La Habana y se comparan con un sitio natural como control. Métodos: El estudio se desarrolló en las localidades de Bajo de Santa Ana, Cojímar, Rincón de Guanabo y la laguna El Cobre - Itabo y el control fue tomado en la ciénaga de Zapata. A través de la plataforma Climate Engine se extrajeron, de 2 460 imágenes satelitales LandSat, los valores promedio de los índices espectrales NDVI y EVI en 5 parcelas por cada localidad de estudio, entre 1984 y 2019. Las variables se compararon estadísticamente entre localidades y se describió su tendencia a lo largo del periodo de estudio. Resultados: Se detectaron diferencias geográficas en los índices, que pueden correlacionarse con las propiedades estructurales y grado de conservación de cada localidad. La tendencia global de los índices fue a un aumento, pero difirió entre localidades. Los menores cambios se produjeron en el sitio control y, entre los humedales periurbanos, en el Rincón de Guanabo y en Cojímar. El ordenamiento de las localidades a partir de variables espectrales fue consistente con el de grado de conservación general. Conclusiones: La respuesta espectral permitió caracterizar cada manglar de manera individualizada, mostrando relación aparente con las características ecológicas y de conservación de cada lugar. Es necesario continuar promoviendo estudios con sensores remotos de estas formaciones boscosas y generar indicadores sólidos que sustenten su uso en futuras investigaciones y monitoreos en manglares del Caribe.
Introduction: Mangroves are one of the most important forest types because of their ecosystem services and ecological roles. They represent 5 % of the emerged land of Cuba. No previous studies are describing spectral vegetation indexes variations by remote sensing in Cuban mangroves, but these variables can be used as indicators of the conservation status of the ecosystem and sustain national wide assessments. Objective: In the current paper we describe spatial and temporal variations in two spectral vegetation indexes in four near-city mangroves at Havana, Cuba and compare them to a natural control site. Methods: Study was conducted in localities named: Bajo de Santa Ana, Cojímar, Rincón de Guanabo, and El Cobre - Itabo lagoon and as control site was selected northern Zapata swamp. By using Climate Engineplatform we extract, from 2 460 Landsat satellite images, mean values of spectral indexes NDVI and EVI in 5 parcels per locality, from 1984 to 2019. Variables were statistically compared among localities and the global trend was described. Results: We detect geographic differences in both indexes, which can be related to structural properties and conservation degree of mangroves in each locality. Global trend of indexes was to increase, but differently among localities. Slighter changes appear in the control site and, among near city mangroves, in Rincón de Guanabo and Cojímar. The ordering of localities from spectral variables was consistent with the ranking in general conservation degree. Conclusions: Spectral responses describe uniquely each mangrove forest, in concordance to each ecological and conservation characteristics. There is a need for promoting studies using remote sensors at these forest types and to generate strong and reliable indicators that can sustain future researches and monitoring schemes in Caribbean mangroves.
Subject(s)
Remote Sensors , Wetlands , Spectrum Analysis/instrumentation , CubaABSTRACT
Gold coated magnetite nanoparticles were prepared and coated with ranibizumab as an ocular drug delivery system. The surface morphologies of the nanoparticles were determined by Scanning Electron Microscopy (SEM). The size and surface charge were determined by using the dynamic light scattering (DLS) technique. Crystallographic properties of the gold coated Fe3O4 nanoparticles were recorded on X-ray diffractometer (XRD) the XRD pattern of nanoparticlees were shown to have uniqe Fe3O4 and gold peaks. Conjugation of ranibizumab onto nanoparticles was achieved using the physical adsorption method. The amount of ranibizumab on the surface of the nanoparticles was determined by thermogravimetric analysis (TGA). In the in vitro release studies performed using UV spectroscopy; it was found that almost 60% of antibodies were released within the first 30 minutes. Antibody activity after release studies was also proved with ELISA. Non-toxicity of gold coated Fe3O4 particles were proved with MTT. Results of the studies, showed that the antibody conjugated magnetic nanoparticle system could be a potential treatment system for ocular diseases.
Subject(s)
In Vitro Techniques/instrumentation , Magnetite Nanoparticles/administration & dosage , Ranibizumab/adverse effects , Spectrum Analysis/instrumentation , X-Rays , Enzyme-Linked Immunosorbent Assay/instrumentation , Microscopy, Electron, Scanning/methods , Drug Delivery Systems , Dynamic Light Scattering/instrumentation , Gold , MethodsABSTRACT
Tacinga inamoena (K. Schum.) N.P. Taylor & Stuppy, also known as quipá, is a native cactus of the Caatinga used in traditional medicine to treat urethral infections and inflammation. This study aimed to determine the physicochemical characteristics of vegetal drug obtained from the roots of T. inamoena. Analytical techniques and phytochemical tests were used, such as thermal analysis, qualitative and semiquantitative determination of secondary metabolites and spectroscopy at the infrared region. The powder of the vegetal drug met the parameters established by the Brazilian Pharmacopoeia, except for compressibility, which was low. On the thermogravimetric curve, three events related to the mass loss were verified, which correlate with the vegetal drug quality control and play a part in their standardization. The qualitative screening suggested the presence of alkaloids, flavonoids and terpenes. The infrared spectrum reinforced the presence of hydroxyl, carbonyl, and ether groups. In the semiquantitative screening, a concentration for total polyphenols of 65 mg equivalent to gallic acid g-1 to the crude ethanol extract (CEE) was obtained. On the correlation of flavonoid content to seasonality, a concentration was obtained of 3.3 mg equivalent to quercetin g-1 to the CEE obtained during the drought period and of 10.6 mg equivalent to quercetin g-1 to the CCE obtained during the rainy season. In T. inamoena, the presence of important classes of secondary metabolites, which are associated with the pharmacognostic characterization, aids the authentication and quality control of vegetal drugs of importance in traditional Brazilian medicine.
Subject(s)
Pharmaceutical Preparations/administration & dosage , Plant Roots/adverse effects , Cactaceae/classification , Quality Control , Spectrum Analysis/instrumentation , Laboratory and Fieldwork Analytical Methods/methods , Phytochemicals , Infections/classification , Phytotherapy/instrumentationABSTRACT
In this study, naftifine (a topical antifungal drug) loaded poly(vinyl) alcohol (PVA)/sodium alginate (SA) nanofibrous mats were prepared using the single-needle electrospinning technique. The produced nanofibers were crosslinked with glutaraldehyde (GTA) vapor. The morphology and diameter of the electrospun nanofibers were studied by scanning electron microscopy (SEM). SEM images showed the smoothness of the nanofibers and indicated that the fiber diameter increased with crosslinking and drug loading. Atomic force microscopy (AFM) images confirmed the uniform production of the scaffolds, and elemental mapping via energy dispersive X-ray spectroscopy (EDS) showed the uniform distribution of the drug within the nanofibers. An attenuated total reflectance Fourier transform infrared (ATR-FTIR) spectroscopy study demonstrated that naftifine has sufficient secondary interactions with the polymer blend. The crosslinking treatment decreased the burst drug release effectively and the release mechanism followed Korsmeyer-Peppas Super Case-II transport. Overall, these findings suggest the potential use of naftifine-loaded PVA/SA nanofibers as a topical antifungal drug delivery system.
Subject(s)
Administration, Topical , Nanofibers/analysis , Spectrometry, X-Ray Emission/instrumentation , Spectrum Analysis/instrumentation , Pharmaceutical Preparations/administration & dosage , Drug Delivery Systems , Spectroscopy, Fourier Transform Infrared/methods , Microscopy, Atomic Force/instrumentation , Alginates/adverse effects , Drug LiberationABSTRACT
Abstract The purpose of the study was to develop a xenogenic bubaline diaphragm matrix (BDM) for abdominal hernia repair. A fresh diaphragm was decellularized using aqueous sodium dodecyl sulfate (SDS) solutions (0.5-4% w/v) over a period. Acellularity was confirmed histologically and characterized by Masson's trichrome staining, scanning electron microscopy (SEM), DNA quantification, agarose gel electrophoresis, and Fourier-transform infrared spectroscopy. The BDM was used for clinical abdominal hernia repair in six cattle. Clinical, hemato-biochemical and antioxidant parameters were evaluated to assess biocompatibility of xenogenic BDM. Histologically, the diaphragm treated with 2% SDS for 48 h showed complete acellularity and orderly arranged collagen fibers. The SEM confirmed preservation of collagen structure and integrity. The DNA content was significantly (P < 0.05) reduced in BDM (33.12 ± 5.40 ng/mg) as compared to the native diaphragm (443.96 ± 162.60 ng/mg). DNA extracts from BDM show considerable removal of DNA material, with absence of DNA band in agarose gel. The FTIR spectrum of BDM has shown all characteristic transmittance peaks of bovine skin collagen indicating preserved collagen structure. Six cattle with BDM implant recovered uneventfully and remained sound at least upto 6 months. Hemato-biochemical and antioxidant findings were unremarkable. Bubaline diaphragm matrix shows excellent repair efficiency and biocompatibility for abdominal hernia repair in cattle without complications.
Subject(s)
Buffaloes , Diaphragm/abnormalities , Hernia, Abdominal/physiopathology , Spectrum Analysis/instrumentation , Materials Testing/methods , Microscopy, Electron, Scanning/instrumentationABSTRACT
The aim of the present research work was to investigate the enzyme inhibitory potential of some new sulfonamides having benzodioxane and acetamide moieties. The synthesis was started by the reaction of N-2,3-dihydrobenzo[1,4]-dioxin-6-amine (1) with 4-methylbenzenesulfonyl chloride (2) in the presence of 10% aqueous Na2CO3 to yield N-(2,3-dihydrobenzo[1,4]-dioxin-6-yl)-4-methylbenzenesulfonamide (3), which was then reacted with 2-bromo-N-(un/substituted-phenyl)acetamides (6a-l) in DMF and lithium hydride as a base to afford various 2-{2,3-dihydro-1,4-benzodioxin-6-yl[(4-methylphenyl)sulfonyl]amino}-N-(un/substituted-phenyl)acetamides (7a-l). All the synthesized compounds were characterized by their IR and 1H-NMR spectral data along with CHN analysis data. The enzyme inhibitory activities of these compounds were tested against a-glucosidase and acetylcholinesterase (AChE). Most of the compounds exhibited substantial inhibitory activity against yeast a-glucosidase and weak against AChE. The in silico molecular docking results were also consistent with in vitro enzyme inhibition data.
Subject(s)
Sulfonamides/agonists , Cholinesterase Inhibitors , Glycoside Hydrolase Inhibitors , Spectrum Analysis/instrumentation , Acetamides/analysisABSTRACT
Abstract This study measured the radiant power (mW), irradiance (mW/cm2) and emission spectra (mW/cm2/nm) of 22 new, or almost new, light curing units (LCUs): - Alt Lux II, BioLux Standard, Bluephase G2, Curing Light XL 3000, Demetron LC, DX Turbo LED 1200, EC450, EC500, Emitter C, Emitter D, KON-LUX, LED 3M ESPE, Led Lux II, Optilight Color, Optilight Max, Optilux 501, Poly Wireless, Radii cal, Radii plus, TL-01, VALO Cordless. These LCUs were either monowave or multiple peak light emitting diode (LED) units or quartz-tungsten-halogen LCUs used in anterior and posterior teeth. The radiant power emitted by the LCUs was measured by a laboratory grade laser power meter. The tip area (cm²) of the LCUs was measured and used to calculate the irradiance from the measured radiant power source. The MARC-Patient Simulator (MARC-PS) with a laboratory grade spectrometer (USB4000, Ocean Optics) was used to measure the irradiance and emission spectrum from each LCU three times at the sensor located on the facial of the maxillary central incisors and then separately at the occlusal of a maxillary second molar. The minimum acceptable irradiance level was set as 500 mW/cm2. Irradiance data was analyzed using two-way ANOVA and the radiant power data was analyzed by one-way ANOVA followed by Tukey test (a=0.05). In general, the irradiance was reduced at the molar tooth for most LCUs. Only the Valo, Bluephase G2 and Radii Plus delivered an irradiance similar to the anterior and posterior sensors greater than 500 mW/cm2. KON-LUX, Altlux II, Biolux Standard, TL-01, Optilux 501, DX Turbo LED 1200 LCUs delivered lower irradiance values than the recommended one used in molar region, KON-LUX and Altlux II LCUs used at the maxillary incisors. Bluephase G2 and Optilight Max delivered the highest radiant power and KON-LUX, Altlux II and Biolux Standard delivered the lowest power. The emission spectrum from the various monowave LED LCUs varied greatly. The multi-peak LCUs delivered similar emission spectra to both sensors.
Resumo Este estudo mediu a potência (mW), irradiância (mW/cm2) e espectro da luz (mW/cm2/nm) emitida por 22 fontes de luz (Alt Lux II, BioLux Standard, Bluephase G2, Curing Light XL 3000, Demetron LC, DX Turbo LED 1200, EC450, EC500, Emitter C, Emitter D, KON-LUX, LED 3M ESPE, Led Lux II, Optilight Color, Optilight Max, Optilux 501, Poly Wireless, Radii cal, Radii plus, TL-01, VALO Cordless) disponíveis comercialmente. A potência emitida pelas fontes de luz foi medida usando um medidor laboratorial de potencia com grade a laser. A área (cm²) da ponta ativa efetiva das fontes de luz foi medida com paquímetro digital e utilizada para calcular a irradiância emitida. O simulador de paciente-MARC (MARC - PS) com espectrómetro (USB4000, Ocean Optics) foi usado para medir a irradiância e o espectro de luz emitida por cada fonte de luz na região anterior e posterior. Esta medição foi repetida por três vezes em dois sensores localizados na região anterior e posterior da arcada dentária. Os dados de irradiância foram analisados utilizando análise de variância em dois fatores, e os dados de potência foram analisados com análise de variância em fator único seguido pelo teste de Tukey (a=0,05). As fontes de luz Valo, Bluephase G2, Radii Plus emitiram irradiância semelhante tanto na região anterior como posterior com valores superiores ao mínimo de 500 mW/cm2. Seis fontes de luz emitiram irradiância menor que o recomendado (500 mW/cm2) quando usadas na região posterior: Kon-lux, Altlux II, Biolux Standard TL-01, Optilux 501, DX Turbo LED 1200 e duas quando usadas na região anterior: Kon-lux e Altlux II LCUs. As fontes Bluephase G2, Optilight Max emitiram os maiores valores de potência e as fontes de luz Altlux II e Biolux Standard emitiram os menores valores de potência. O espectro de luz das fontes LED de espectro único variou de forma evidente entre as fontes. As fontes LED multi pico de espectro emitiram espectros de luz similar para ambos os sensores. A fotoativação na região posterior tende a reduzir substancialmente a irradiância da maioria das fontes de luzes testadas.
Subject(s)
Humans , Curing Lights, Dental , Dental Restoration, Permanent , Lasers , Patient Simulation , Spectrum Analysis/instrumentation , Tooth/radiation effectsABSTRACT
Objetivo Realizar una evaluación climática (diaria) de la concentración de metales pesados (Pb y Cu) asociada con el sedimento depositado sobre las superficies viales de las localidades de Kennedy y Puente Aranda (Bogotá D.C., Colombia). Adicionalmente, se evaluaran las concentraciones detectadas con respecto a la legislación seleccionada como de referencia para la protección de la salud humana en suelo urbano. Métodos La concentración se determinó mediante espectrometría de absorción atómica con llama; previamente las muestras fueron digeridas en una mezcla de ácido clorhídrico y nítrico (3:1; agua regia). Resultados Se evidencia con respecto a la fracción de tamaño del sedimento vial más cercana a la potencialmente inhalable desde el punto de vista de la salud pública (≤ 10 µm), que las concentraciones metálicas en promedio tienden a aumentar en tiempo seco (29 %). Al respecto, las concentraciones durante estos períodos de tiempo son en promedio 1,69 veces superiores al valor límite más bajo fijado por la normatividad de referencia. No obstante, se sugiere que las concentraciones metálicas están dominadas por el uso del suelo antes que por las condiciones climáticas. Conclusiones Los hallazgos se constituyen en un punto de referencia a nivel colombiano para la discusión y publicación de normatividad ambiental asociada con la protección de la salud humana por metales pesados, y para visualizar futuras líneas de investigación acerca del efecto del cambio climático sobre las concentraciones metálicas en ambientes urbanos.(AU)
Objective To climatically assess (daily) the concentration of heavy metals (Pb and Cu) in sediment deposited on road surfaces of the localities of Kennedy and Puente Aranda (Bogota, D.C., Colombia). Additionally, the detected concentrations are to be evaluated with respect to the legislation chosen as reference point for the protection of human health in urban areas. Methods The concentration was determined by flame atomic absorption spectrometry. The samples were previously digested in a mixture of hydrochloric and nitric acid (3:1; aqua regia). Results The results show, with respect to road sediment closest to the size that could be potentially inhaled from the point of view of public health (≤ 10 µm), that the metal concentrations on average tend to increase in dry weather (29 %). In this regard, the concentrations during these time periods are on average 1.69 times higher than the lowest limit value set by the reference legislation. However, it is suggested that the metal concentrations are mostly due to the use of the land rather than weather conditions. Conclusions The findings are a reference point in Colombia for the discussion and publication of environmental regulations associated with the protection of human health from heavy metals and for visualizing future lines of research about the effect of climate change on metal concentrations in urban environments.(AU)
Subject(s)
Stormwater Runoff , Metals, Heavy/chemistry , Environmental Pollution/analysis , Spectrum Analysis/instrumentation , ColombiaABSTRACT
El presente estudio tiene por objetivo comparar los niveles séricos de cobre (Cu), cinc (Zn) y el cociente molar Cu/Zn en 129 pacientes con artritis reumatoide (RA), en 94 individuos sanos como grupo control (GC) y 21 pacientes con enfermedades reumáticas no artríticas (NER), como la fibromialgia, espondilitis anquilosante entre otras. Las concentraciones séricas de Cu y Zn fueron analizadas por espectroscopía de absorción atómica en llama acoplada a un sistema de inyección en flujo continuo (EAA/FIA). Los resultados muestran un incremento significativo (p<0,05), del cobre sérico en los pacientes con AR en comparación con los otros grupos (NER y GC), este aumento fue directamente proporcional a la actividad inflamatoria de la enfermedad. El nivel medio de cinc sérico mostró una disminución progresiva. Asimismo, el detrimento sérico del cinc está relacionado con la evolución de la enfermedad o la pérdida de capacidad funcional del paciente con los niveles alterados de cobre observados en pacientes con AR activo y en etapa temprana de la enfermedad (p<0,05). Los cocientes molares de Cu/Zn fueron de 1,88; 1,14 y 1,18 para la AR, GC, y NER, respectivamente, demostrando que su modificación es más notoria que evaluar cada oligoelemento por separado. Estos hallazgos sugieren que existe una redistribución tanto del cobre como del cinc en muchos compartimientos del cuerpo, como respuesta inflamatoria. Por lo que niveles séricos de Cu, Zn y Cu/Zn molar puede ser un criterio valioso para la evaluación clínica y posiblemente, para el estudio y seguimiento de los pacientes con AR.
The aim of this study was to measure the serum levels of copper (Cu) and zinc (Zn) in 129 patients with rheumatoid arthritis (RA), in 94 healthy subjects (HS) and in 21 patients with non-rheumatic diseases (NRD) such as osteoarthritis, fibromyalgia, and ankylosing spondylitis. Serum concentrations of Cu and Zn were measured by flow injection analysis/flame atomic absorption spectroscopy (FIA/FAAS). The Cu/Zn molar ratio in serum also was evaluated in these patients. The result shown that the average concentration of serum copper in patients with RA was significantly increased (p <0.05), on comparing with other patients. This increase was directly proportional to staging or disease progression while zinc concentration was significantly lower in patients with RA, but no differences were found between the stages of the disease. The values of Cu/Zn ratio were 1.88, 1.14 and 1.18, for AR, HS, and NRD patients, respectively. In conclusion, in patients with RA serum copper tend to increase and serum Zn tend to decrease and Cu/Zn molar ratio increases significantly (p<0.05). In conclusion, our results suggest that serum Cu, Zn and Cu/Zn molar ratio could be valuable criteria for clinical evaluation and possibly follow-up study of patients with RA.
Subject(s)
Humans , Male , Female , Adolescent , Adult , Middle Aged , Aged , Arthritis, Rheumatoid/complications , Spectrum Analysis/instrumentation , Zinc/analysis , Copper/analysis , Spectrophotometry, Atomic/methods , Chemistry Techniques, Analytical , Public HealthABSTRACT
Con el objetivo de discriminar lesiones benignas y malignas en la piel humana a partir de espectros de reflexión difusa, se han analizado diferentes algoritmos de clasificación usando el software de aprendizaje automático y reconocimiento de patrones WEKA. Además, dada la alta dimensionalidad de la señal espectral, fue empleada una técnica selección de atributos para determinar las variables que aporten la mayor cantidad de información. Se probó la clasificación de la señal usando los algoritmos de máquinas de vectores de soporte, redes neuronales y bosques aleatorios, el desempeño fue evaluado usando el promedio de la k-fold cross-validation tomando en cuenta los porcentajes de instancias clasificadas correctamente, el índice kappa, el área bajo la curva ROC, la sensibilidad, y la especifidad. Finalmente se demuestra que el algoritmo de redes neuronales con los parámetros momentum y learning rate en 0,6 y 0,3 respectivamente, es el que mejor se adapta al problema de reconocimiento de patrones ya que clasifica correctamente al 89,89% de los casos.
In order to differentiate between benign and malignant lesions in the human skin using diffuse reflection spectra, different classification algorithms were tested using the WEKA data mining software. In addition, due to the high dimensionality of the spectral signal, an attribute selection technique was applied to determine the variables that contribute with more information. The spectral signal classification was tested using support vector machines, neural networks and random forests, their performance was measured using the k-fold cross-validation percentages of the Kappa statistic, area under the ROC curve, specificity and sensitivity. Finally it is shown that the one layer neural network with 6 neurons and the parameters momentum and learning rate in 0.6 and 0.3 respectively, is best suited to the problem of pattern recognition, achieving correctly classify 89.89% of the cases.
Subject(s)
Spectrum Analysis/statistics & numerical data , Spectrum Analysis/instrumentation , Spectrum Analysis/methods , Skin Neoplasms/diagnosis , Skin Neoplasms/prevention & control , Pattern Recognition, Automated , Neural Networks, ComputerABSTRACT
O uso de interação da luz com a matéria não é um conceito novo em biologia para a detecção de processos físico-químicos, embora ainda seja utilizado de uma forma rudimentar. Já é sabido que imagens de refletância e fluorescência podem revelar informações importantes sobre tais processos em amostras biológicas. Apesar deste potencial, os sistemas experimentais disponíveis para a obtenção de tais imagens costumam serem complexos e de difícil implementação. Neste trabalho é descrita a construção e a caracterização de uma montagem experimental para produção de imagens hiperespectrais entre 400 e 1.000 nm. O sistema é composto de um espectrômetro, um conjunto de lentes para formação da imagem e uma câmera CCD para capturá-la. São descritos em detalhes o procedimento de calibração do sistema, o qual envolve os parâmetros largura da imagem, campo de visão, resolução espectral e espacial. O sistema de iluminação utiliza diodos emissores de luz de alta potência, tanto de luz branca quanto em 470 e 405 nm. Demonstramos que o sistema construído é capaz de obter imagens de fluorescência e/ou refletância de amostras biológicas. Como exemplos de aplicações, o instrumento aqui desenvolvido foi utilizado em dois campos distintos, a agricultura e a odontologia. Foram obtidas imagens de fluorescência de folhas de citros contaminadas com cancro cítrico, e de processos de desmineralização em dentes. Os resultados demonstram que o sistema construído está operando como projetado.
The use of light-mater interaction for the detection of chemicalphysical processes is not a new concept in biology, though it is still used in a rudimentary form. It is already known that reflectance as well as fluorescence images can reveal important information on such processes in biological samples. In spite of this potential, the experimental available image systems usually are complexes and of difficult implementation. In this work, we describe the construction and characterization of an experimental device to produce hyperspectral images between 400 and 1,000 nm. The system is composed of a spectrometer, a set of lenses for image formation and a CCD camera to capture it. We describe in details also the calibration procedure of the system, which involves parameters as image width, field of view, spectral and space resolution. The illumination system uses high power light emitting diodes, either at white light or at 470 and 405 nm. We demonstrate that our system is able to obtain reflectance as well as fluorescence images of biological samples. As examples of applications, we use it into two different fields, agriculture and dentistry. We obtained fluorescence images of citrus leaves contaminated with citrus canker and demineralization processes in teeth. Our results demonstrate that our system isoperating as designed.