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1.
Int J Biol Macromol ; 273(Pt 1): 133058, 2024 Jul.
Artigo em Inglês | MEDLINE | ID: mdl-38866278

RESUMO

Sustainable agriculture initiatives are needed to ensure the food security of the people all over the world. Soilless cultivation methods using hydrogels may give a revolutionary response as well as a more ecological and productive alternative to conventional farming. This study attempted extraction of pectin from the rind of albedo yellow passion fruit (Passiflora edulis var. flavicarpa Degener)and hydrogels from pectin and activated carbon was compared with pure pectin hydrogel; Pectin- Activated Carbon hydrogels (PAC) showed a microporous structure with excellent hydrophilicity and showed superior water holding capacity. Then the prepared hydrogels were examined with various instrumental techniques like FTIR, SEM, XRD, Raman, BET and rheological properties. In the BET analysis, PAC3 shows the highest surface area of 28.771 m2/g when compared to PAC0 at 15.063 m2/g. The germination experiments were performed using mung beans. This study provides an opportunity for the application of pectin hydrogels in agriculture field specifically for home garden or rooftop cultivation.


Assuntos
Hidrogéis , Pectinas , Vigna , Pectinas/química , Hidrogéis/química , Vigna/crescimento & desenvolvimento , Germinação/efeitos dos fármacos , Água/química , Passiflora/química , Passiflora/crescimento & desenvolvimento
2.
Food Res Int ; 190: 114566, 2024 Aug.
Artigo em Inglês | MEDLINE | ID: mdl-38945597

RESUMO

This study assessed water relaxometry of beef exposed to different ageing techniques by examining the inner and surface regions using time-domain nuclear magnetic resonance (TD-NMR) relaxometry. Beef strip loins were aged under vacuum (Wet), under vacuum using moisture absorbers (Abs), under vacuum using moisture absorbers and with mechanical tenderisation (AbsTend), or without any packaging (Dry). The ageing technique significantly influenced various meat parameters, including dehydration, total loss, and the moisture content of the meat surface. The transverse (T2) relaxation times provided a more sensitive indicator of the changes in meat water relaxometry than the longitudinal (T1) relaxation times. The Dry samples exhibited distinct differences in the T2 signals between the surface and inner regions of the meat. In particular, for the inner region, there were significant differences in signal areas between the Wet and Dry samples, and the Abs and AbsTend samples were positioned closely together between the Dry and Wet samples. The principal component analysis supported these findings: it indicated some differentiation among the ageing techniques in the score plot, but the differentiation was more pronounced when analysing the surface region. Additionally, there was a strong correlation between dehydration and the T2 values, leading to a clustering of the samples based on the ageing technique. The overlap between the Abs and AbsTend samples, situated between the Dry and Wet samples, suggests the potential of these treatments to produce meat with properties that are intermediate to Wet and Dry meat. Furthermore, tenderisation did not lead to greater dehydration.


Assuntos
Manipulação de Alimentos , Espectroscopia de Ressonância Magnética , Água , Água/química , Animais , Bovinos , Espectroscopia de Ressonância Magnética/métodos , Manipulação de Alimentos/métodos , Vácuo , Carne Vermelha/análise , Fatores de Tempo , Carne/análise , Análise de Componente Principal
3.
Nutrients ; 16(10)2024 May 16.
Artigo em Inglês | MEDLINE | ID: mdl-38794745

RESUMO

Obesity is primarily exacerbated by excessive lipid accumulation during adipogenesis, with triacylglycerol (TG) as a major lipid marker. However, as the association between numerous lipid markers and various health conditions has recently been revealed, investigating the lipid metabolism in detail has become necessary. This study investigates the lipid metabolic effects of Hydrangea serrata (Thunb.) Ser. hot water leaf extract (WHS) on adipogenesis using LC-MS-based lipidomics analysis of undifferentiated, differentiated, and WHS-treated differentiated 3T3-L1 cells. WHS treatment effectively suppressed the elevation of glycerolipids, including TG and DG, and prevented a molecular shift in fatty acyl composition towards long-chain unsaturated fatty acids. This shift also impacted glycerophospholipid metabolism. Additionally, WHS stabilized significant lipid markers such as the PC/PE and LPC/PE ratios, SM, and Cer, which are associated with obesity and related comorbidities. This study suggests that WHS could reduce obesity-related risk factors by regulating lipid markers during adipogenesis. This study is the first to assess the underlying lipidomic mechanisms of the adipogenesis-inhibitory effect of WHS, highlighting its potential in developing natural products for treating obesity and related conditions. Our study provides a new strategy for the development of natural products for the treatment of obesity and related diseases.


Assuntos
Células 3T3-L1 , Adipogenia , Hydrangea , Metabolismo dos Lipídeos , Lipidômica , Extratos Vegetais , Folhas de Planta , Adipogenia/efeitos dos fármacos , Extratos Vegetais/farmacologia , Folhas de Planta/química , Animais , Camundongos , Hydrangea/química , Metabolismo dos Lipídeos/efeitos dos fármacos , Água/química , Adipócitos/efeitos dos fármacos , Adipócitos/metabolismo , Triglicerídeos/metabolismo , Obesidade/prevenção & controle
4.
Phys Med Biol ; 69(12)2024 Jun 07.
Artigo em Inglês | MEDLINE | ID: mdl-38776951

RESUMO

Objective.In this work, we present and evaluate a technique for performing interface measurements of beta particle-emitting radiopharmaceutical therapy agents in solution.Approach.Unlaminated EBT3 film was calibrated for absorbed dose to water using a NIST matched x-ray beam. Custom acrylic source phantoms were constructed and placed above interfaces comprised of bone, lung, and water-equivalent materials. The film was placed perpendicular to these interfaces and measurements for absorbed dose to water using solutions of90Y and177Lu were performed and compared to Monte Carlo absorbed dose to water estimates simulated with EGSnrc. Surface and depth dose profile measurements were also performed.Main results.Surface absorbed dose to water measurements agreed with predicted results within 3.6% for177Lu and 2.2% for90Y. The agreement between predicted and measured absorbed dose to water was better for90Y than177Lu for depth dose and interface profiles. In general, agreement withink= 1 uncertainty bounds was observed for both radionuclides and all interfaces. An exception to this was found for the bone-to-water interface for177Lu due to the increased sensitivity of the measurements to imperfections in the material surfaces.Significance. This work demonstrates the feasibility and limitations of using radiochromic film for performing absorbed dose to water measurements on beta particle-emitting radiopharmaceutical therapy agents across material interfaces.


Assuntos
Partículas beta , Método de Monte Carlo , Compostos Radiofarmacêuticos , Partículas beta/uso terapêutico , Compostos Radiofarmacêuticos/uso terapêutico , Compostos Radiofarmacêuticos/administração & dosagem , Radiometria/instrumentação , Radiometria/métodos , Imagens de Fantasmas , Água/química , Radioisótopos de Ítrio/uso terapêutico , Humanos
5.
Huan Jing Ke Xue ; 45(5): 2678-2685, 2024 May 08.
Artigo em Chinês | MEDLINE | ID: mdl-38629531

RESUMO

Xingkai Lake, located in Heilongjiang Province, is an important fishery and agricultural base and is seriously polluted by agricultural non-point sources. To clarify the residual status of many pesticides in the surface water of Xingkai Lake, 27 types of pesticides, herbicides, and their degradation products were analyzed in rice paddy, drainage, and surface water around Xingkai Lake (China) during the rice heading and maturity periods. The results showed that all 27 types of pesticides, herbicides, and their degradation products were detected during the rice heading period, and the total concentration ranged from 247.97 to 6 094.49 ng·L-1. Additionally, 25 species were detected during the rice maturity period, and the total concentration ranged from 485.36 to 796.23 ng·L-1. In comparison, more pesticides, herbicides, and derived degradation products were detected during the heading period, and their total concentration was higher as well. During the rice heading period, atrazine, simetryn, and paclobutrazol were the main detected pesticides, atrazine and isoprothiolane were the main pesticides detected during the maturity period. The distribution characteristics of pesticides and herbicides in the surface water around Xingkai Lake (China) was similar to that in drainage, so they were probably imported from the drainage and rice paddy. The average risk quotient (RQ) values of atrazine, simetryn, prometryn, butachlor, isoprothiolane, and oxadiazon were higher than 0.1 in drainage and Xingkai Lake (China), which showed a potential risk to aquatic organisms.


Assuntos
Atrazina , Herbicidas , Resíduos de Praguicidas , Praguicidas , Tiofenos , Poluentes Químicos da Água , Praguicidas/análise , Resíduos de Praguicidas/análise , Lagos , Monitoramento Ambiental , Água/química , China , Medição de Risco , Poluentes Químicos da Água/análise
7.
Bioresour Technol ; 400: 130671, 2024 May.
Artigo em Inglês | MEDLINE | ID: mdl-38583678

RESUMO

Hydrothermal liquefaction (HTL) aqueous phases derived from mixed sludge and digested sludge of two wastewater treatment plants (WWTP) were characterized considering variations in primary-secondary sludge ratios, an aspect previously overlooked in the literature. Mixed sludge was obtained by mixing primary and secondary sludge to simulate high primary sludge, average, and high secondary sludge cases. Aerobic and mesophilic/thermophilic anaerobic biodegradability tests were conducted. Higher chemical oxygen demand, total ammonium-N, orthophosphate-P, fatty acids, and N-heterocycles in HTL aqueous samples were detected as the secondary sludge ratio increased in mixed sludge. A similar trend was observed in the biodegradability tests. Characteristics of HTL aqueous derived from mixed sludge of WWTP 1 showed much higher variation, whereas WWTP 2 mixed sludge was not affected significantly by primary-secondary sludge ratios. Finally, the biodegradability levels of HTL aqueous samples were determined to be 69-78 % under aerobic, 58-70 % under mesophilic anaerobic, and 42-56 % under thermophilic anaerobic conditions.


Assuntos
Biodegradação Ambiental , Esgotos , Análise da Demanda Biológica de Oxigênio , Água/química , Temperatura , Anaerobiose , Eliminação de Resíduos Líquidos/métodos , Águas Residuárias/química , Cidades
8.
Biomed Phys Eng Express ; 10(4)2024 May 14.
Artigo em Inglês | MEDLINE | ID: mdl-38688251

RESUMO

Purpose.The aim of this study is to determine the planar dose distribution of irregularly-shaped electron beams at their maximum dose depth (zmax) using the modied lateral build-up ratio (LBR) and curve-fitting methods.Methods.Circular and irregular cutouts were created using Cerrobend alloy for a 14 × 14 cm2applicator. Percentage depth dose (PDD) at the standard source-surface-distance (SSD = 100 cm) and point dose at different SSD were measured for each cutout. Orthogonal profiles of the cutouts were measured atzmax. Data were collected for 6, 9, 12, and 15 MeV electron beam energies on a VERSA HDTMLINAC using the IBA Blue Phantom23D water phantom system. The planar dose distributions of the cutouts were also measured atzmaxin solid water using EDR2 films.Results.The measured PDD curves were normalized to a normalization depth (d0) of 1 mm. The lateral-buildup-ratio (LBR), lateral spread parameter (σR(z)), and effective SSD (SSDeff) for each cutout were calculated using the PDD of the open applicator as the reference field. The modified LBR method was then employed to calculate the planar dose distribution of the irregular cutouts within the field at least 5 mm from the edge. A simple curve-fitting model was developed based on the profile shapes of the circular cutouts around the field edge. This model was used to calculate the planar dose distribution of the irregular cutouts in the region from 3 mm outside to 5 mm inside the field edge. Finally, the calculated planar dose distribution was compared with the film measurement.Conclusions.The planar dose distribution of electron therapy for irregular cutouts atzmaxwas calculated using the improved LBR method and a simple curve-fitting model. The calculated profiles were within 3% of the measured values. The gamma passing rate with a 3%/3 mm and 10% dose threshold was more than 96%.


Assuntos
Elétrons , Imagens de Fantasmas , Dosagem Radioterapêutica , Elétrons/uso terapêutico , Humanos , Planejamento da Radioterapia Assistida por Computador/métodos , Algoritmos , Água/química , Método de Monte Carlo
9.
J Hazard Mater ; 471: 134364, 2024 Jun 05.
Artigo em Inglês | MEDLINE | ID: mdl-38657508

RESUMO

It is well known that arsenic is one of the most toxic elements. However, measuring total arsenic content is not enough, as it occurs in various forms that vary in toxicity. Since honey can be used as a bioindicator of environmental pollution, in the present study the concentration of arsenic and its species (As(III), As(V), DMA, MMA and AsB) was determined in honey samples from mostly Poland and Ukraine using HPLC-ICP-MS hyphenated technique. The accuracy of proposed methods of sample preparation and analysis was validated by analyzing certified reference materials. Arsenic concentration in honey samples ranged from 0.12 to 13 µg kg-1, with mean value of 2.3 µg kg-1. Inorganic arsenic forms, which are more toxic, dominated in honey samples, with Polish honey having the biggest mean percentage of inorganic arsenic species, and Ukrainian honey having the lowest. Furthermore, health risks resulting from the consumption of arsenic via honey were assessed. All Target Hazard Quotient (THQ) values, for total water-soluble arsenic and for each form, were below 1, and all Carcinogenic Risk (CR) values were below 10-4, which indicates no potential health risks associated with consumption of arsenic via honey at average or recommended levels.


Assuntos
Arsênio , Mel , Mel/análise , Cromatografia Líquida de Alta Pressão , Medição de Risco , Arsênio/análise , Espectrometria de Massas , Humanos , Contaminação de Alimentos/análise , Polônia , Solubilidade , Ucrânia , Água/química
10.
Radiol Phys Technol ; 17(2): 553-560, 2024 Jun.
Artigo em Inglês | MEDLINE | ID: mdl-38570400

RESUMO

Dose-averaged linear energy transfer (LETd) is conventionally evaluated from the relative biological effectiveness (RBE)-LETd fitted function used in the treatment planning system. In this study, we calculated the physical doses and their linear energy transfer (LET) distributions for patterns of typical CIRT beams using Monte Carlo (MC) simulation. The LETd was then deduced from the MC simulation and compared with that obtained from the conventional method. The two types of LETd agreed well with each other, except around the distal end of the spread-out Bragg peak. Furthermore, an MC simulation was conducted with the material composition of water and realistic materials. The profiles of physical dose and LETd were in good agreement for both techniques. These results indicate that the previous studies to analyze the minimum LETd in CIRT cases are valid for practical situations, and the material composition conversion to water little affects the dose distribution in the irradiation field.


Assuntos
Radioterapia com Íons Pesados , Transferência Linear de Energia , Método de Monte Carlo , Dosagem Radioterapêutica , Doses de Radiação , Planejamento da Radioterapia Assistida por Computador/métodos , Água/química
11.
Phys Med Biol ; 69(11)2024 May 23.
Artigo em Inglês | MEDLINE | ID: mdl-38684165

RESUMO

Objective. This work introduces a novel approach to performing active and passive dosimetry for beta-emitting radionuclides in solution using common dosimeters. The measurements are compared to absorbed dose to water (Dw) estimates from Monte Carlo (MC) simulations. We present a method for obtaining absorbed dose to water, measured with dosimeters, from beta-emitting radiopharmaceutical agents using a custom SPECT/CT compatible phantom for validation of Monte Carlo based absorbed dose to water estimates.Approach. A cylindrical, acrylic SPECT/CT compatible phantom capable of housing an IBA EFD diode, Exradin A20-375 parallel plate ion chamber, unlaminated EBT3 film, and thin TLD100 microcubes was constructed for the purpose of measuring absorbed dose to water from solutions of common beta-emitting radiopharmaceutical therapy agents. The phantom is equipped with removable detector inserts that allow for multiple configurations and is designed to be used for validation of image-based absorbed dose estimates with detector measurements. Two experiments with131I and one experiment with177Lu were conducted over extended measurement intervals with starting activities of approximately 150-350 MBq. Measurement data was compared to Monte Carlo simulations using the egs_chamber user code in EGSnrc 2019.Main results. Agreement withink= 1 uncertainty between measured and MC predictedDwwas observed for all dosimeters, except the A20-375 ion chamber during the second131I experiment. Despite the agreement, the measured values were generally lower than predicted values by 5%-15%. The uncertainties atk = 1 remain large (5%-30% depending on the dosimeter) relative to other forms of radiation therapy.Significance. Despite high uncertainties, the overall agreement between measured and simulated absorbed doses is promising for the use of dosimeter-based RPT measurements in the validation of MC predictedDw.


Assuntos
Partículas beta , Método de Monte Carlo , Imagens de Fantasmas , Radiometria , Compostos Radiofarmacêuticos , Tomografia Computadorizada com Tomografia Computadorizada de Emissão de Fóton Único , Tomografia Computadorizada com Tomografia Computadorizada de Emissão de Fóton Único/instrumentação , Radiometria/instrumentação , Partículas beta/uso terapêutico , Compostos Radiofarmacêuticos/uso terapêutico , Compostos Radiofarmacêuticos/química , Radioisótopos do Iodo/uso terapêutico , Lutécio/química , Água/química , Radioisótopos
12.
J Chromatogr A ; 1721: 464850, 2024 Apr 26.
Artigo em Inglês | MEDLINE | ID: mdl-38564932

RESUMO

The solvation parameter model uses five system independent descriptors to characterize compound properties defined as excess molar refraction, E, dipolarity/polarizability, S, hydrogen-bond acidity, A, hydrogen-bond basicity, B, and McGowan's characteristic volume, V, to model transfer properties between condensed phases. The V descriptor is assigned from structure. For compounds liquid at 20 °C the E descriptor can be assigned from the characteristic volume and its refractive index. The E descriptor for compounds solid at 20 °C and the S, A, and B descriptors are experimental properties traditionally assigned from chromatographic, liquid-liquid partition, and solubility measurements. In this report liquid-liquid partition constants in totally organic and aqueous biphasic systems are evaluated as a standalone technique for descriptor assignments. Using six totally organic biphasic systems the S, A, and B descriptors were assigned with an average absolute deviation (AAD) of about 0.04, 0.03, and 0.04, respectively, compared with the best estimate of the true descriptor values for 65 compounds. The E descriptor for compounds solid at 20 °C can only be estimated with an AAD of approximately 0.1. For six aqueous biphasic systems the B descriptor is assigned with a lower AAD of 0.028 and higher AAD of 0.08 and 0.05 for the S and A descriptors, respectively, than for the totally organic biphasic systems for compounds with a reliable value for the E descriptor. The preferred system for descriptor assignments utilizes both totally organic biphasic systems (heptane-1,1,1-trifluoroethanol, isopentyl ether-propylene carbonate, isopentyl ether-ethanolamine, heptane-ethylene glycol, heptane-formamide, and 1,2-dichloroethane-ethylene glycol) and aqueous biphasic systems (octanol-water, cyclohexane-water) with the possible substitution of some systems with alternative systems of similar selectivity. For 55 varied compounds this combination of eight organic and aqueous biphasic systems resulted in an AAD of approximately 0.03, 0.02, and 0.02 for the S, A, and B descriptors compared to the best estimate of the true descriptor value. For 30 compounds solid at 20 °C the AAD for the E descriptor of 0.11 is poorly assigned. The relative average absolute deviation in percent (RAAD) corresponds to 9.7 %, 3.1 %. 4.0 % and 8.3 % for E, S, A, and B, respectively, for the eight biphasic systems. Liquid-liquid partition is compared to reversed-phase liquid and gas chromatography as a standalone technique for descriptor assignments.


Assuntos
Éteres , Água , Etilenoglicóis , Heptanos/química , Hidrogênio , Água/química , Cicloexanos/química , Octanóis/química
13.
Biomed Phys Eng Express ; 10(4)2024 May 08.
Artigo em Inglês | MEDLINE | ID: mdl-38670074

RESUMO

Background. New applications of 3D printing have recently appeared in the fields of radiotherapy and radiology, but the knowledge of many radiological characteristics of the compounds involved is still limited. Therefore, studies are needed to improve our understanding about the transport and interaction of ionizing radiation in these materials.Purpose. The purpose of this study is to perform an analysis of the most important radiation interaction parameters in thermoplastic materials used in Fused Deposition Modeling 3D printing. Additionally, we propose improvements to bring their characteristics closer to those of water and use them as water substitutes in applications such as radiodiagnosis, external radiotherapy, and brachytherapy.Methods. We have calculated different magnitudes as mass linear attenuation, mass energy absorption coefficients, as well as stopping power and electronic density of several thermoplastic materials along with various compounds that have been used as water substitutes and in a new proposed blend. To perform these computations, we have used the XCOM and ESTAR databases from NIST and the EGSnrc code for Montecarlo simulations.Results. From the representation of the calculated interaction parameters, we have been able to establish relationships between their properties and the proportion of certain chemical elements. In addition, studying these same characteristics in different commercial solutions used as substitutes for water phantoms allows us to extrapolate improvements for these polymers.Conclusion. The radiological characteristics of the analyzed thermoplastic materials can be improved by adding some chemical elements with atomic numbers higher than oxygen and by using polyethylene in new blends.


Assuntos
Polímeros , Impressão Tridimensional , Água , Água/química , Polímeros/química , Método de Monte Carlo , Imagens de Fantasmas , Plásticos/química , Simulação por Computador , Humanos , Braquiterapia/métodos
14.
Chem Rev ; 124(6): 3037-3084, 2024 Mar 27.
Artigo em Inglês | MEDLINE | ID: mdl-38437627

RESUMO

Proteins are highly labile molecules, thus requiring the presence of appropriate solvents and excipients in their liquid milieu to keep their stability and biological activity. In this field, ionic liquids (ILs) have gained momentum in the past years, with a relevant number of works reporting their successful use to dissolve, stabilize, extract, and purify proteins. Different approaches in protein-IL systems have been reported, namely, proteins dissolved in (i) neat ILs, (ii) ILs as co-solvents, (iii) ILs as adjuvants, (iv) ILs as surfactants, (v) ILs as phase-forming components of aqueous biphasic systems, and (vi) IL-polymer-protein/peptide conjugates. Herein, we critically analyze the works published to date and provide a comprehensive understanding of the IL-protein interactions affecting the stability, conformational alteration, unfolding, misfolding, and refolding of proteins while providing directions for future studies in view of imminent applications. Overall, it has been found that the stability or purification of proteins by ILs is bispecific and depends on the structure of both the IL and the protein. The most promising IL-protein systems are identified, which is valuable when foreseeing market applications of ILs, e.g., in "protein packaging" and "detergent applications". Future directions and other possibilities of IL-protein systems in light-harvesting and biotechnology/biomedical applications are discussed.


Assuntos
Líquidos Iônicos , Líquidos Iônicos/química , Proteínas/química , Solventes/química , Água/química , Polímeros
15.
J Environ Sci (China) ; 142: 33-42, 2024 Aug.
Artigo em Inglês | MEDLINE | ID: mdl-38527894

RESUMO

Biotoxicity assessment results of environmental waters largely depend on the sample extraction protocols that enrich pollutants to meet the effect-trigger thresholds of bioassays. However, more chemical mixture does not necessarily translate to higher combined biotoxicity. Thus, there is a need to establish the link between chemical extracting efficiency and biotoxicity outcome to standardize extraction methods for biotoxicity assessment of environmental waters. This study compares the performance of five different extraction phases in solid phase extraction (SPE), namely HLB, HLB+Coconut, C18 cartridge, C18 disk and Strata-X, and evaluated their chemical extracting efficiencies and biotoxicity outcomes. We quantitatively assessed cytotoxicity, acute toxicity, genotoxicity, estrogenic activity, and neurotoxicity of the extracts using in vitro bioassays and characterized the chemical extracting efficiencies of the SPE methods through chemical recoveries of 23 model compounds with different polarities and total organic carbon. Using Pareto ranking, we identified HLB+Coconut as the optimal SPE method, which exhibited the highest level of water sample biotoxicity and recovered the most chemicals in water samples. We found that the biotoxicity outcomes of the extracted water samples significantly and positively correlated with the chemical extracting efficiencies of the SPE methods. Moreover, we observed synchronous changing patterns in biotoxicity outcome and chemical extracting efficiencies in response to increasing sample volumes per cartridge (SVPC) during SPE. Our findings underscore that higher chemical extracting efficiency of SPE corresponds to higher biotoxicity outcome of environmental water samples, providing a scientific basis for standardization of SPE methods for adequate assessment of biotoxicities of environmental waters.


Assuntos
Poluentes Ambientais , Poluentes Químicos da Água , Águas Residuárias/toxicidade , Água/química , Extração em Fase Sólida/métodos , Poluentes Químicos da Água/toxicidade , Poluentes Químicos da Água/análise
16.
J Sci Food Agric ; 104(10): 5991-5998, 2024 Aug 15.
Artigo em Inglês | MEDLINE | ID: mdl-38427021

RESUMO

BACKGROUND: Bulgur, a whole wheat product, has attracted attention in the world in recent years because of its wide usage possibility in different meals. The basic ingredients in bulgur production are wheat and water. The influence of water composition on bulgur quality has not been investigated. Iron in water can cause discolouration in foods by oxidizing and reacting with phenolic compounds and also by hardening the structure of the foods. Therefore, in the present study, the effects of the iron content of water on the quality of bulgur were examined. RESULTS: The effect of the amount of iron in water on bulgur quality was carried out and examined using water containing iron at three different levels (0, 1 and 2 ppm). Using water containing 2 ppm iron in bulgur production caused a decrease in the L* value and an increase in the YI (i.e. yellowness index), thus negatively affecting the colour of the bulgur. In bulgur prepared with water containing 2 ppm iron, the antioxidant activity was also dramatically reduced. CONCLUSION: The iron content in the water used in bulgur production did not have a negative effect on bulgur quality up to 2 ppm. The protein, ash, phenolic and mineral amounts and textural characteristics of bulgur were not affected by the concentration of iron in the water. As a result, high iron concentration in cooking water negatively affects bulgur's colour and antioxidant activity. Therefore, it is recommended to use iron-free water in bulgur production. © 2024 The Authors. Journal of The Science of Food and Agriculture published by John Wiley & Sons Ltd on behalf of Society of Chemical Industry.


Assuntos
Cor , Culinária , Ferro , Minerais , Triticum , Água , Ferro/análise , Água/análise , Água/química , Minerais/análise , Minerais/química , Triticum/química , Temperatura Alta , Antioxidantes/análise , Antioxidantes/química , Farinha/análise
17.
Int J Mol Sci ; 25(6)2024 Mar 18.
Artigo em Inglês | MEDLINE | ID: mdl-38542384

RESUMO

We present ionization cross sections of hydrogen molecules by electron and positron impact for impact energies between 20 and 1000 eV. A three-body Classical Trajectory Monte Carlo approximation is applied to mimic the collision system. In this approach, the H2 molecule is modeled by a hydrogen-type atom with one active electron bound to a central core of effective charge with an effective binding energy. Although this model is crude for describing a hydrogen molecule, we found that the total cross sections for positron impact agree reasonably well with the experimental data. For the electron impact, our calculated cross sections are in good agreement with the experimental data in impact energies between 80 eV and 400 eV but are smaller at higher impact energies and larger at lower impact energies. Our calculated cross sections are compared with the scaled cross sections obtained experimentally for an atomic hydrogen target. We also present single differential cross sections as a function of the energy and angle of the ejected electron and scattered projectiles for a 250 eV impact. These are shown to agree well with available data. Impact parameter distributions are also compared for several impact energies.


Assuntos
Elétrons , Hidrogênio , Água/química , Fenômenos Físicos , Método de Monte Carlo
18.
Biomater Sci ; 12(7): 1883-1897, 2024 Mar 26.
Artigo em Inglês | MEDLINE | ID: mdl-38416049

RESUMO

Effective hemostatic materials have been in demand for rapid pre-hospital hemostasis in emergency situations, which can significantly reduce accidental deaths. The development of emergency hemostatic materials with rapid hemostasis, biosafety, and economical preparation is a great challenge. In this study, Ca(OH)2-complexed diatom powder hemostatic particles (Ca(OH)2-Php) were prepared based on a one-pot reaction by directly mixing various raw materials and by rotary granulation. High-temperature calcination was able to carbonate and consume the organic matter in the hemostatic particles. The crosslinked hydrogen bonds in those particles were converted to silica-oxygen bonds, the particles became more stable, and the porous structure of diatom biosilica (DBs) was exposed. Ca(OH)2-Php has high porosity, can quickly adsorb the water in blood (water absorption: 75.85 ± 6.93%), and exhibits rapid hemostasis capacity (clotting time was shortened by 43% compared with that of the control group), good biocompatibility (hemolysis rate <7%, no cytotoxicity), and simplicity of handling (conveniently debride, no residues, no tissue inflammation). This study provides a new idea for the preparation of emergency hemostatic materials, and Ca(OH)2-Php prepared by one-pot reaction has various high-quality characteristics including rapid hemostasis, wide applicability, economical preparation, and potential for large-scale production.


Assuntos
Diatomáceas , Hemostáticos , Hemostáticos/farmacologia , Hemostáticos/química , Coagulação Sanguínea , Hemostasia , Água/química
19.
J Chem Theory Comput ; 20(5): 1897-1911, 2024 Mar 12.
Artigo em Inglês | MEDLINE | ID: mdl-38417108

RESUMO

Prediction of the hydration levels of protein cavities and active sites is important to both mechanistic analysis and ligand design. Due to the unique microscopic environment of these buried water molecules, a polarizable model is expected to be crucial for an accurate treatment of protein internal hydration in simulations. Here we adapt a nonequilibrium candidate Monte Carlo approach for conducting grand canonical Monte Carlo simulations with the Drude polarizable force field. The GPU implementation enables the efficient sampling of internal cavity hydration levels in biomolecular systems. We also develop an enhanced sampling approach referred to as B-walking, which satisfies detailed balance and readily combines with grand canonical integration to efficiently calculate quantitative binding free energies of water to protein cavities. Applications of these developments are illustrated in a solvent box and the polar ligand binding site in trypsin. Our simulation results show that including electronic polarization leads to a modest but clear improvement in the description of water position and occupancy compared to the crystal structure. The B-walking approach enhances the range of water sampling in different chemical potential windows and thus improves the accuracy of water binding free energy calculations.


Assuntos
Proteínas , Água , Ligantes , Termodinâmica , Solventes/química , Água/química
20.
MAbs ; 16(1): 2304624, 2024.
Artigo em Inglês | MEDLINE | ID: mdl-38299343

RESUMO

High-concentration protein formulation is of paramount importance in patient-centric drug product development, but it also presents challenges due to the potential for enhanced aggregation and increased viscosity. The analysis of critical quality attributes often necessitates the transfer of samples from their primary containers together with sample dilution. Therefore, there is a demand for noninvasive, in situ biophysical methods to assess protein drug products directly in primary sterile containers, such as prefilled syringes, without dilution. In this study, we introduce a novel application of water proton nuclear magnetic resonance (wNMR) to evaluate the aggregation propensity of a high-concentration drug product, Dupixent® (dupilumab), under stress conditions. wNMR results demonstrate a concentration-dependent, reversible association of dupilumab in the commercial formulation, as well as irreversible aggregation when exposed to accelerated thermal stress, but gradually reversible aggregation when exposed to freeze and thaw cycles. Importantly, these results show a strong correlation with data obtained from established biophysical analytical tools widely used in the pharmaceutical industry. The application of wNMR represents a promising approach for in situ noninvasive analysis of high-concentration protein formulations directly in their primary containers, providing valuable insights for drug development and quality assessment.


Assuntos
Indústria Farmacêutica , Espectroscopia de Ressonância Magnética , Indústria Farmacêutica/métodos , Viscosidade , Água/química
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