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1.
Molecules ; 27(2)2022 Jan 10.
Artigo em Inglês | MEDLINE | ID: mdl-35056741

RESUMO

The purpose of the present work was to prepare polypropylene (PP) matrix composited filled with chemically treated pistachio shell particles (PTx), and evaluate their effect on the composites' thermal properties. PP-PTx composites were formulated in different PTx content (from 2 to 10 phr) in a mixing chamber, using the melt-mixing process. The PTx were chemically treated using a NaOH solution and infrared spectroscopy (FTIR). According to thermogravimetric analysis (TGA), the treatment of pistachio shell particles resulted in the remotion of lignin and hemicellulose. The thermal stability was evaluated by means of TGA, where the presence of PTx in composites showed a positive effect compared with PP pristine. Thermal properties such as crystallization temperature (Tc), crystallization enthalpy (∆Hc), melting temperature (Tm) and crystallinity were determinate by means differential scanning calorimetry (DSC); these results suggest that the PTx had a nucleation effect on the PP matrix, increasing their crystallinity. Dynamic mechanical analysis (DMA) showed that stiffness of the composites increase compared with that PP pristine, as well as the storage modulus, and the best results were found at a PTx concentration of 4 phr. At higher concentrations, the positive effect decreased; however, they were better than the reference PP.


Assuntos
Materiais Biocompatíveis/química , Pistacia/química , Polipropilenos/química , Varredura Diferencial de Calorimetria , Cristalização , Lignina , Nozes/química , Espectroscopia de Infravermelho com Transformada de Fourier , Termodinâmica , Termogravimetria
2.
Prep Biochem Biotechnol ; 52(5): 540-548, 2022.
Artigo em Inglês | MEDLINE | ID: mdl-34657566

RESUMO

Exploitation of the "ocotillo" tree (Fouquieria splendens Engelm) to produce ocotillol/ocotillone (o/o) in Northern Mexico hasn't been explored to this date. In the present work, isolation of ocotillol/ocotillone was performed through a batch reactor, which allowed the elimination of alcohol and phenols present in the ocote plant, yielding only resins and waxes from the ocote trunks. The ocotillol/ocotillone was extracted from the remaining resin on the ocote logs by solvent extraction in a batch reactor, to be crystallized after its extraction using a rotary evaporator. FTIR, and NMR analysis exhibited the characteristic ginsenoside bands, while the UV-vis spectrum of ocotillol/ocotillone depicted an absorption band belonging to the O-H bonds, indicating that the group is anchored to the ginsenoside structure and not due to a water signal. Lastly, the thermogravimetric analysis described a common behavior among other ginsenosides. Production of ocotillo/ocotillone has an energy consumption of 3624 kWh/gr. With a cost of $0.478 USD in laboratory equipment, which translates as a plausible sustainable production of ocotillol/ocotillone.


Assuntos
Ginsenosídeos , Ginsenosídeos/química
3.
Trop Anim Health Prod ; 53(1): 101, 2021 Jan 08.
Artigo em Inglês | MEDLINE | ID: mdl-33417070

RESUMO

This study investigated Lippia palmeri Watt (oregano) phytochemical compounds, their antioxidant capacity, and immunological effects on goat peripheral blood leukocytes (PBL), and on the presence of intermediate polar compounds in goat feces fed dietary oregano. The polar and nonpolar fractions of L. palmeri W. were characterized and phytochemical contents and antioxidant capacity were determined. Twelve healthy Anglo-Nubian goats were used for the in vivo trials, which were randomly assigned to control fed with basal diet, or oregano group fed with basal diet + 2.6% (DM basis) dried oregano leaves. Goat peripheral blood leukocytes (PBL) were isolated for the in vitro study, and PBL were stimulated with oregano extracts at 100 and 150 µg/mL after 24 h. For the in vivo trial, dietary oregano (2.6% on DM basis) was evaluated in the goats for 90 days. Relatively high abundance of carvacrol and thymol phytochemical compounds was found in oregano. The highest antioxidant capacity of oregano extracts was detected at 100 and 150 µg/mL. Nitric oxide production, phagocytosis, and superoxide dismutase activities increased (p < 0.05) in stimulated PBL with oregano extracts, whereas the pro-inflammatory (TNF-α and IL-1ß) transcription and antioxidant (CAT and GPX-4) genes downregulated. In the in vivo experiment, dietary oregano enabled the detection of nine compounds found in goat feces, from which caproic (C6) was in a high relative quantity compared with the control group. Oregano has phytochemical compounds with strong antioxidant capacity that protect cells against oxidative stress damage and could modulate immune response and feces composition in goats.


Assuntos
Antioxidantes/farmacologia , Cabras/fisiologia , Intestinos/fisiologia , Leucócitos/imunologia , Lippia/química , Extratos Vegetais/metabolismo , Extratos Vegetais/farmacologia , Ração Animal/análise , Animais , Dieta/veterinária , Suplementos Nutricionais/análise , Feminino , Extratos Vegetais/administração & dosagem , Distribuição Aleatória
4.
Int J Mol Sci ; 18(5)2017 May 05.
Artigo em Inglês | MEDLINE | ID: mdl-28475151

RESUMO

Natural extracts possess several kinds of antioxidants (anthocyanins, betalains, thymol, carvacrol, and resveratrol) that have also demonstrated antimicrobial properties. In order to study these properties, extracts from cranberry, blueberry, beetroot, pomegranate, oregano, pitaya, and resveratrol (from grapes) were obtained. Growth inhibition tests of mesophilic aerobes, coliforms, and fungi were conducted in films prepared from the extracts in accordance with Mexican Official Norms (NOM). Optical properties such as transparency and opacity, mechanical properties, and pH were also analyzed in these materials. The films with beetroot, cranberry, and blueberry extracts demonstrated the best antimicrobial activity against various bacteria and fungi in comparison with unmodified chitosan-starch film. This study shows that the addition of antioxidants improved the antimicrobial performance of these films. It was also found that antimicrobial properties are inherent to the films. These polymers combined with the extracts effectively inhibit or reduce microorganism growth from human and environmental contact; therefore, previous sterilization could be unnecessary in comparison with traditional plastics. The presence of extracts decreased transmittance percentages at 280 and 400 nm, as well as the transparency values, while increasing their opacity values, providing better UV-VIS light barrier properties. Despite diminished glass transition temperatures (Tg), the values obtained are still adequate for food packaging applications.


Assuntos
Anti-Infecciosos/farmacologia , Quitosana/química , Frutas/química , Extratos Vegetais/farmacologia , Amido/química , Anti-Infecciosos/síntese química , Anti-Infecciosos/química , Aspergillus/efeitos dos fármacos , Enterobacteriaceae/efeitos dos fármacos , Fenômenos Mecânicos , Fenômenos Ópticos , Penicillium/efeitos dos fármacos , Extratos Vegetais/química
5.
Behav Processes ; 218: 105028, 2024 May.
Artigo em Inglês | MEDLINE | ID: mdl-38648990

RESUMO

Barking and other dog vocalizations have acoustic properties related to emotions, physiological reactions, attitudes, or some particular internal states. In the field of intelligent audio analysis, researchers use methods based on signal processing and machine learning to analyze the digitized acoustic signals' properties and obtain relevant information. The present work describes a method to classify the identity, breed, age, sex, and context associated with each bark. This information can support the decisions of people who regularly interact with animals, such as dog trainers, veterinarians, rescuers, police, people with visual impairment. Our approach uses deep neural networks to generate trained models for each classification task. We worked with 19,643 barks recorded from 113 dogs of different breeds, ages and sexes. Our methodology consists of three stages. First, the pre-processing stage prepares the data and transforms it into the appropriate format for each classification model. Second, the characterization stage evaluates different representation models to identify the most suitable for each task. Third, the classification stage trains each classification model and selects the best hyperparameters. After tuning and training each model, we evaluated its performance. We analyzed the most relevant features extracted from the audio and the most appropriate deep neural network architecture for that feature type. Even if the application of our method is not ready for being used in ethological practice, our evaluation showed an outstanding performance of the proposed method, surpassing previous research results on this topic, providing the basis for further technological development.


Assuntos
Aprendizado Profundo , Vocalização Animal , Animais , Cães/classificação , Vocalização Animal/fisiologia , Vocalização Animal/classificação , Feminino , Masculino , Redes Neurais de Computação
6.
Polymers (Basel) ; 16(2)2024 Jan 20.
Artigo em Inglês | MEDLINE | ID: mdl-38276697

RESUMO

The present work evaluates the influence of different properties of composite materials from natural sources. Films were prepared using the evaporative casting technique from corn starch reinforced with a waste material such as garlic husk (GH), using glycerin as a plasticizer. The results of the syntheses carried out demonstrated the synergy between these materials. In the morphological analysis, the compatibility and adequate dispersion of the reinforcer in the matrix were confirmed. Using Fourier transform infrared spectroscopy (FTIR), the interaction and formation of bonds between the matrix and the reinforcer were confirmed by the presence of some signals such as S-S and C-S. Similarly, thermogravimetric analysis (TGA) revealed that even at low concentrations, GH can slightly increase the decomposition temperature. Finally, from the results of dynamic mechanical analysis (DMA), it was possible to identify that the storage modulus increases significantly, up to 115%, compared to pure starch, especially at low concentrations of the reinforcer.

7.
J Chem Phys ; 137(22): 224701, 2012 Dec 14.
Artigo em Inglês | MEDLINE | ID: mdl-23249020

RESUMO

In this work, the effects of the internal structure of charge for ions are analyzed by means of Monte Carlo simulations within a modified primitive model of electric double layer with spheroidal ions. The simulation results are compared to those obtained from a generalized Poisson-Boltzmann theory, where the separation of the charges within the spheroidal ions is considered. The spheroidal divalent ions have finite dimensions and two identical unitary charges separated by a distance of one diameter. Two structurally equivalent but oppositely charged ionic species are considered: coions and counterions. In the simulation, the number of particles is not fixed and the grand canonical ensemble is employed to reach the thermodynamic equilibrium. Meanwhile, the variational theory is applied to the analytical density functional. The fixed separation between charges within the spheroidal ions causes the orientational ordering of the spheroidal ions (with quadrupolar charge distributions) leading to very different charge distributions than those of the regular divalent ions from the primitive model of electrolyte. The internal structure of ions could be dramatically relevant for the modelling of large molecules, which are known to posses complex charge distributions.


Assuntos
Elétrons , Método de Monte Carlo , Modelos Moleculares
8.
Phys Chem Chem Phys ; 13(29): 13349-57, 2011 Aug 07.
Artigo em Inglês | MEDLINE | ID: mdl-21706120

RESUMO

The present work studies the role of ionic size in the interactions between the electrical double layers of colloids immersed into electrolyte solutions of monovalent ions. Such interactions are studied by means of Monte Carlo (MC) simulations and the classical Derjaguin-Landau-Verwey-Overbeek (DLVO) theory. Despite the omission of the steric effects and some other features of real electrolyte solutions, DLVO theory is known to work qualitatively well for 1:1 electrolyte solutions. However, this affirmation is based on previous tests where an ionic diameter around 0.4 nm was taken for all ionic species. In contrast, some experimental studies suggest that larger hydrated ions should be considered and even specified for each type of ion. In this work, the importance of ionic size is analyzed by applying the primitive model of electrolyte to the intermediate region between a pair of equally charged infinite planar surfaces. The double layer interactions were calculated from the ionic densities at the distance of closest approach to the charged surfaces, this method constitutes an alternative to the traditional calculations at the midplane. Our MC simulations predict the existence of negative net pressures for monovalent electrolytes in the case of zero charge density. In addition, MC simulations reveal some disagreements with theoretical predictions for ionic diameters larger than 0.4 nm. These discrepancies can become significant if surface charge density is large enough due to the restructuration of the double layer. The physical mechanisms for these deviations are also discussed.


Assuntos
Coloides/química , Modelos Biológicos , Estabilidade de Medicamentos , Íons , Método de Monte Carlo , Tamanho da Partícula
9.
J Chem Phys ; 135(9): 094109, 2011 Sep 07.
Artigo em Inglês | MEDLINE | ID: mdl-21913755

RESUMO

In this work, thermo-responsive polyelectrolyte gels have been simulated using polymer networks of diamond-like topology in the framework of the primitive model. Monte Carlo simulations were performed in the canonical ensemble and a wide collection of situations has been systematically analysed. Unlike previous studies, our model includes an effective solvent-mediated potential for the hydrophobic interaction between non-bonded polymer beads. This model predicts that the strength of the attractive hydrophobic forces increases with temperature, which plays a key role in the explanation of the thermo-shrinking behaviour of many real gels. Although this hydrophobic model is simple (and it could overestimate the interactions at high temperature), our simulation results qualitatively reproduce several features of the swelling behaviour of real gels and microgels reported by experimentalists. This agreement suggests that the effective solvent-mediated polymer-polymer interaction used here is a good candidate for hydrophobic interaction. In addition, our work shows that the functional form of the hydrophobic interaction has a profound influence on the swelling behaviour of polyelectrolyte gels. In particular, systems with weak hydrophobic forces exhibit discontinuous volume changes, whereas gels with strong hydrophobic forces do not show hallmarks of phase transitions, even for highly charged polyelectrolyte chains.


Assuntos
Simulação por Computador , Eletrólitos/química , Géis/química , Modelos Químicos , Polímeros/química , Interações Hidrofóbicas e Hidrofílicas , Eletricidade Estática , Temperatura
10.
PeerJ Comput Sci ; 7: e574, 2021.
Artigo em Inglês | MEDLINE | ID: mdl-34141895

RESUMO

The Flexible Job Shop Scheduling Problem (FJSP) is a combinatorial problem that continues to be studied extensively due to its practical implications in manufacturing systems and emerging new variants, in order to model and optimize more complex situations that reflect the current needs of the industry better. This work presents a new metaheuristic algorithm called the global-local neighborhood search algorithm (GLNSA), in which the neighborhood concepts of a cellular automaton are used, so that a set of leading solutions called smart-cells generates and shares information that helps to optimize instances of the FJSP. The GLNSA algorithm is accompanied by a tabu search that implements a simplified version of the Nopt1 neighborhood defined in Mastrolilli & Gambardella (2000) to complement the optimization task. The experiments carried out show a satisfactory performance of the proposed algorithm, compared with other results published in recent algorithms, using four benchmark sets and 101 test problems.

11.
J Phys Chem B ; 113(8): 2414-21, 2009 Feb 26.
Artigo em Inglês | MEDLINE | ID: mdl-19199701

RESUMO

In this work, the effect of ionic dispersion forces on the electric double layer of colloids is evaluated through Monte Carlo simulations. Particularly, the influence of these forces on the zeta-potential (as a representative electrokinetic property) is assessed. Ion polarizability is included in the primitive model with the help of the Lifshitz theory. In this way, ion specificity is not considered by means of phenomenological (and unknown a priori) parameters. Our results reveal that the ionic van der Waals forces are responsible (to some extent) for the specificity of the zeta-potential. In any case, the specific ion effects due to ion polarizability are strongly influenced by ion size. Furthermore, a preliminary study on the effect of ionic dehydration shows how this phenomenon improves the qualitative agreement between experimental data and simulations achieved in considering ionic dispersion forces.

12.
Polymers (Basel) ; 10(3)2018 Mar 08.
Artigo em Inglês | MEDLINE | ID: mdl-30966316

RESUMO

A hybrid nanocomposites based on epoxy reinforced with a combination of 1D and 2D carbon nanomaterials for improving impact resistance are reported. Multi-walled carbon nanotubes and oxidized-multi-walled carbon nanotubes are used as 1D nanoreinforcements, and graphene derivative materials such as graphene oxide and reduced graphene oxide are utilized as 2D nanoreinforcements. In this research, the impact resistance of epoxy matrix reinforced with 1D or 2D and the mixture of both nanomaterials is studied. The research is focused on evaluation of the influence of adding different combinations of nanomaterials into epoxy resin and their Izod impact response. Moreover, fracture surface of nanocomposites is observed by scanning electron microscopy. Images show differences between the surfaces of brittle nature on thermoset epoxy polymer and tough nanocomposites. Synergy created with 1D and 2D nanomaterials produces stable dispersions in the processing, reflected in the interface. The interactions in nanocomposites are evidenced by infrared spectra, principally on the peaks related to oxygenated functional groups present in nanomaterials and absent in polymer matrix. Consequently, an increase of 138% in fracture strength of nanocomposites is exhibited, in comparison to the neat epoxy matrix. In addition, hybrid nanocomposites were synthesized in two different methods to evaluate the influence of manufacturing method on final properties of nanocomposites.

13.
Int J Biol Macromol ; 93(Pt A): 1217-1225, 2016 Dec.
Artigo em Inglês | MEDLINE | ID: mdl-27693339

RESUMO

Bio-composites films were prepared by casting and drying of aqueous solutions containing different weight ratios of chitosan and bark of Mimosa tenuiflora. The physico-chemical and functional properties of the films were characterized by scanning electron microscopy, dynamical mechanical analysis, wettability, cytotoxicity and in vitro antibacterial activities. The morphology studies confirmed that the presence of Mimosa tenuiflora change the surface of films. Moreover, the incorporation of Mimosa tenuiflora improved the thermal stability of the films, as it was indicated by the changes in the glass temperatures obtained. Water-uptake ability changed in relation to polymeric composition of film. This property increased by the addition of Mimosa tenuiflora to the film. Improved antibacterial properties were measured against Escherichia Coli and Micrococcus lysodeikticus or luteus. Finally, cytotoxicity was studied by MTT assay and the films were non-toxic. These preliminary results provide a cheap way to prepare chitosan/Mimosa tenuiflora films for wound healing and skin regeneration.


Assuntos
Quitosana/química , Quitosana/farmacologia , Mimosa/química , Regeneração/efeitos dos fármacos , Pele/efeitos dos fármacos , Adesivo Transdérmico , Células 3T3 , Animais , Antibacterianos/administração & dosagem , Antibacterianos/química , Antibacterianos/farmacologia , Antibacterianos/toxicidade , Bandagens , Materiais Biocompatíveis/administração & dosagem , Materiais Biocompatíveis/química , Materiais Biocompatíveis/farmacologia , Materiais Biocompatíveis/toxicidade , Quitosana/administração & dosagem , Quitosana/toxicidade , Escherichia coli/efeitos dos fármacos , Camundongos , Micrococcus/efeitos dos fármacos , Molhabilidade
14.
Ginecol. obstet. Méx ; Ginecol. obstet. Méx;87(7): 447-453, ene. 2019. tab
Artigo em Espanhol | LILACS-Express | LILACS | ID: biblio-1286643

RESUMO

Resumen OBJETIVO: Estimar la prevalencia de desgarro perineal en pacientes a quienes se aplicó vacuum e identificar los factores de riesgo de lesión del esfínter anal. MATERIALES Y MÉTODOS: Estudio descriptivo, transversal, retrospectivo y observacional. Se seleccionaron todos los partos en los que se aplicó vacuum del total de partos instrumentados en un hospital de segundo nivel de la Ciudad de México. Se incluyeron mujeres con embarazo de término, únicos y de evolución normal. Las lesiones perineales se clasificaron según la OMS. Se calcularon la prevalencia y el intervalo de confianza. Las variables se describen mediante medias y desviaciones estándar o frecuencias absolutas y relativas. Los desgarros se compararon con χ22 y los valores con significación estadística fueron los de p < 0.05. RESULTADOS: Se estudiaron 74 partos instrumentados en 708 partos totales, de los que 70 de 74 fueron con vacuum. En relación solo con estos últimos, los desgarros más prevalentes fueron de primer y segundo grado con valores de 40.0% (IC95%: 29-51) y 38.6% (IC95%: 27-50), respectivamente. No se identificaron factores de riesgo asociados con desgarros perineales severos. CONCLUSIONES: La prevalencia en la población estudiada fue similar a la de países industrializados y los desgarros moderados fueron los de mayor prevalencia.


Abstract OBJECTIVES: To estimate the prevalence of perineal tears in patients which delivery was instrumented by vacuum and to identify the risk factors that lead to a tear in the anal sphincter. MATERIAL AND METHOD: Descriptive, cross-sectional, retrospective and observational study. All vacuum deliveries were selected among the instrumental deliveries of the population in a secondary care hospital in Mexico City. The inclusion criteria were women who delivered vaginally at term with sole and normoevolutive pregnancies. The perineal tears were classified according to WHO. The statistical analysis included the estimation of prevalences with their corresponding confidence intervals. Variables were described by means and standard deviations or absolute and relative frequencies. Tears were compared using χ2 tests considering a statistical significance of p < 0.05. RESULTS: The number of instrumented deliveries was 74 out of 708 cases of total deliveries, those with vacuum were 70 out of 74. Considering the instrumented deliveries with vacuum, the most prevalent tears were those of first and second degree with values of 40.0% (CI 29-51) and 38.6% (CI 27-50) respectively. There were not associated risk factors to severe perineal tears. CONCLUSIONS: Prevalence in the studied population was similar to developed countries and moderate tears are the most prevalent.

15.
Materials (Basel) ; 6(8): 3494-3513, 2013 Aug 14.
Artigo em Inglês | MEDLINE | ID: mdl-28811448

RESUMO

Electrospun one dimensional (1D) and two dimensional (2D) carbon based polymer nanocomposites are studied in order to determine the effect provided by the two differently structured nanofillers on crystallinity and thermo-mechanical properties of the nanofibres. The nanomaterials studied are pristine carbon nanotubes, oxidised carbon nanotubes, reduced graphene oxide and graphene oxide. Functional groups associated with the order structure of the polymers are analysed by infrared and Raman spectroscopies; the morphology is studied by scanning electron microscopy and the crystallinity properties are investigated by differential scanning calorimetry and X-ray diffraction. Differences in crystallisation behaviour between 1D and 2D carbon based nanofibres are shown by their crystallinity degree and their crystal sizes. The nanocomposite crystal sizes perpendicular to the plane (100) decrease with nanofiller content in all cases. The crystallinity trend and crystal sizes are in accordance with storage modulus response. The results also suggest that functionalisation favours interfacial bonding and dispersion of the nanomaterials within the polymer matrix. As a consequence the number of nucleating sites increases which in turn decreases the crystal size in the nanocomposites. These features explain the improved thermo-mechanical properties in the nanocomposites.

16.
Phys Chem Chem Phys ; 11(2): 309-16, 2009 Jan 14.
Artigo em Inglês | MEDLINE | ID: mdl-19088986

RESUMO

In this work we test the validity of a recent modified Poisson-Boltzmann (MPB) theory that includes ion size effects through a Langmuir-type correction. In particular, we will focus on an analytic charge-potential relationship accounting for such effects. Previous electric double layer (EDL) surveys have demonstrated that the inclusion of ions size in classical EDL theories, based on the Poisson-Boltzmann (PB) equation, can yield considerable improvements. In this sense, the theory we analyze assumes that, as a result of the excluded volume, the ion concentration close to the charged surface cannot exceed a fixed value determined by the close packing fraction. This leads to predictions of counterion concentrations (in this region) smaller than the corresponding PB values. In our opinion, it is worthwhile to test the validity of this novel theory. To this end, computer simulations appear as a useful tool for this kind of task. Our results prove that the above-mentioned analytical expression works fairly well for 1 : 1 electrolytes and large ions, and its predictions can be considerably improved with certain corrections in the estimation of some key parameters. However, it fails for multivalent electrolytes.

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