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1.
J Chromatogr A ; 1735: 465346, 2024 Oct 25.
Artículo en Inglés | MEDLINE | ID: mdl-39243587

RESUMEN

The Soret effect is a significant factor in various scenarios, with thermodiffusion in binary systems serving as a common method for the study. Most research focuses rarely on the distribution characteristics of components in diffusion systems; and Soret coefficients in the porous media could not be obtained by typical methods based on the thermodiffusion column, which are particularly important in the field of oil and gas development. Moreover, experiments on ground conditions have struggled to determine the Soret coefficient accurately due to the convective effect caused by gravity differentiation. The thermodiffusion behavior of n-pentane (C5) and n-heptane (C7) binary mixtures in both bulk and porous media conditions have been investigated, aiming to provide corrected coefficients that mitigate the influence of gravity using theoretical derivation. A new method was proposed to calculate the Soret coefficients in this work by establishing a model based on gas chromatography technology. Dynamic variation of component concentration along the path was studied, and the corresponding Soret coefficients were calculated and analyzed in parallel. The results indicate that the concentration and temperature exhibit a logarithmic relationship with the distance from the heat source. The Soret coefficient values obtained from measurements in porous media are closer to the theoretically corrected values, which do not account for gravity effects. Additionally, as the permeability decreases, the counteracting effect of porous media on convection becomes more pronounced. Therefore, it presents a novel method for accurately measuring the Soret coefficient that ignores convection to some extent.


Asunto(s)
Heptanos , Heptanos/química , Cromatografía de Gases/métodos , Porosidad , Difusión , Hidrocarburos/química , Hidrocarburos/análisis , Temperatura , Modelos Químicos , Pentanos
2.
Environ Sci Pollut Res Int ; 31(40): 53399-53409, 2024 Aug.
Artículo en Inglés | MEDLINE | ID: mdl-39190250

RESUMEN

In the current work, the adsorption of acid black 1 (AB1), a hair dye, and methyl orange (MO) on anion exchange membrane BII (AEM-BII) in a binary system was studied experimentally. The effects study for contact time, adsorbent's and adsorbates' concentration, and temperature of aqueous media on the AB1 and MO removal, AEM-BII recovery, and reusability were also investigated. The highest removal was observed at optimum conditions, 150-min contact time and 5 g L-1 of adsorbent for AB1 (91.2%) and MO (83.4%). Adsorption kinetics was estimated by pseudo-first-order (PFO) and pseudo-second-order (PSO) kinetics. The experimental findings were fitted well by PSO kinetics with an adsorption capacity of 19.45 ± 0.93 and 19.34 ± 0.84 mg g-1 for ABI and MO, respectively. Moreover, the adsorption isotherm study confirmed that AB1 and MO adsorption by AEM-BII from the binary system was followed by Langmuir isotherms. Adsorption thermodynamics revealed that adsorption of both AB1 and MO by AEM-BII was endothermic and spontaneous. Moreover, the desorption phenomenon of ABI and MO from the loaded AEM-BII showed that dye removal from AEM-BII was found to be 74.95%, demonstrating AEM-BII can be considered as good adsorbent for acidic dyes from the binary system.


Asunto(s)
Colorantes , Termodinámica , Contaminantes Químicos del Agua , Cinética , Adsorción , Colorantes/química , Contaminantes Químicos del Agua/química , Compuestos Azo/química , Purificación del Agua/métodos , Concentración de Iones de Hidrógeno
3.
Sci Total Environ ; 950: 175253, 2024 Nov 10.
Artículo en Inglés | MEDLINE | ID: mdl-39111443

RESUMEN

In this study, the competitive adsorption and migration behaviors of arsenic (As), cadmium (Cd), and chromium (Cr) in typical Chinese soils were investigated. It was observed that Hainan, Shanxi, and Zhejiang Mengjiadai soils exhibited the highest adsorption capacities for As (563 µg/g), Cd (653 µg/g), and Cr (383 µg/g), respectively. Heavy metals (HMs) adsorption capacities were predicted by Extreme gradient boosting (XGBoost) models, and the Shapley additive explanation (SHAP) was employed to elucidate the effect of soil physicochemical properties on target values. Due to redox and complexation reaction, the primary factor affecting adsorption has changed from free state manganese (Mn) in single As system to antimony (Sb) in As/Cd and As/Cr systems. Furthermore, the maximum adsorption capacity (Qm) of As increased by 49.4 % with the addition of Cd into Heilongjiang soil. Finally, the migration process of HMs in Heilongjiang, Hebei, and Hainan soils was simulated by column experiments. With a relatively large dispersion coefficient (D = 29.630 cm2/h) and small retardation factor (Rh = 0.030), Cr penetrated fastest in Heilongjiang soil. This research demonstrates that both the types and coexistence of HMs may affect the HMs behaviors in soil.

4.
Int J Biol Macromol ; 275(Pt 1): 133628, 2024 Aug.
Artículo en Inglés | MEDLINE | ID: mdl-38964689

RESUMEN

Understanding the interplay among salt ions, anthocyanin and starch within food matrices under thermal conditions is important for the development of starch-based foods with demanded quality attributes. However, how salt ions presence influences the microstructure and properties of starch/anthocyanin binary system remains largely unclear. Herein, indica rice starch (IRS) and rice anthocyanin (RA) were used to construct an IRS-RA binary system, with thermal treatment under different concentrations of Na+ (10-40 mM) and types of salt ions (Na+ and Ca2+). The incorporation of salt ions induced the formation of a porous gel matrix, and destroyed the hydrogen bond between starch and anthocyanin through electrostatic interactions, reducing the storage modulus and radius of gyration of the binary system, and increasing the relative crystallinity (from 1.08 % to 1.51 % (20 mM Na+) and 1.69 % (20 mM Ca+)) of the IRS-RA binary system at 90 °C. Also, the DPPH radical scavenging ability of the binary system at 90 °C was enhanced upon incorporating salt ions (0.93 for Na+ condition and 0.94 for Ca2+ condition at 20 mM ion concentration). It is noteworthy that Ca2+ inclusion had more significant effects than the case for Na+ presence, presumably due to the increased charge density.


Asunto(s)
Antocianinas , Iones , Oryza , Almidón , Almidón/química , Oryza/química , Antocianinas/química , Iones/química , Sodio/química , Temperatura , Calcio/química
5.
Molecules ; 29(12)2024 Jun 07.
Artículo en Inglés | MEDLINE | ID: mdl-38930788

RESUMEN

The article delves into the intricate phase transitions of 1-Octadecanol and n-Nonadecane within a binary system, unveiling dynamic structural changes under varying conditions. Through Fourier transform infrared (FTIR) analysis, specific molecular vibrations were identified, shedding light on the molecular composition and interactions. The study highlights the challenges in detecting subtle phase transitions and emphasises the individuality of molecular behaviours in closely related compounds. The findings underscore the complexity of phase transitions in binary systems and advocate for a nuanced approach to studying molecular structures and behaviours.

6.
Front Pain Res (Lausanne) ; 5: 1241015, 2024.
Artículo en Inglés | MEDLINE | ID: mdl-38601924

RESUMEN

Specific Aim: Provide an overview of the literature addressing major areas pertinent to pain in transgender persons and to identify areas of primary relevance for future research. Methods: A team of scholars that have previously published on different areas of related research met periodically though zoom conferencing between April 2021 and February 2023 to discuss relevant literature with the goal of providing an overview on the incidence, phenotype, and mechanisms of pain in transgender patients. Review sections were written after gathering information from systematic literature searches of published or publicly available electronic literature to be compiled for publication as part of a topical series on gender and pain in the Frontiers in Pain Research. Results: While transgender individuals represent a significant and increasingly visible component of the population, many researchers and clinicians are not well informed about the diversity in gender identity, physiology, hormonal status, and gender-affirming medical procedures utilized by transgender and other gender diverse patients. Transgender and cisgender people present with many of the same medical concerns, but research and treatment of these medical needs must reflect an appreciation of how differences in sex, gender, gender-affirming medical procedures, and minoritized status impact pain. Conclusions: While significant advances have occurred in our appreciation of pain, the review indicates the need to support more targeted research on treatment and prevention of pain in transgender individuals. This is particularly relevant both for gender-affirming medical interventions and related medical care. Of particular importance is the need for large long-term follow-up studies to ascertain best practices for such procedures. A multi-disciplinary approach with personalized interventions is of particular importance to move forward.

7.
Environ Sci Pollut Res Int ; 31(6): 9237-9250, 2024 Feb.
Artículo en Inglés | MEDLINE | ID: mdl-38191722

RESUMEN

In this study, MgO-modified sludge biochar (1MBC) prepared from sewage sludge was successfully used as an efficient adsorbent to remove heavy metals from groundwater. The adsorption performance and mechanism of 1MBC on Cu2+ and Cd2+ were investigated in single and binary systems, and the contribution of different mechanisms was quantified. Adsorption kinetics and isotherms analysis revealed that the adsorption processes of Cu2+ and Cd2+ by 1MBC followed the pseudo-second-order kinetic and Langmuir isotherm model in both systems, indicating that Cu2+ and Cd2+ were mainly controlled by chemisorption, and their theoretical maximum adsorption capacities were 240.36 and 219.06 mg·g-1, respectively. The results of the binary system showed that due to the competitive adsorption, the adsorption capacity of 1MBC for both heavy metals was lower than that of the single system, and the selective adsorption of Cu2+ was higher. The influencing variable experiments revealed that the adsorption of Cu2+ and Cd2+ by 1MBC had a wide pH adaption range and strong anti-interference ability to coexisting organics and ions. The adsorption mechanisms involved ion exchange (Cu: 47.39%, Cd: 53.17%), mineral precipitation (Cu: 35.31%, Cd: 24.18%), functional group complexation (Cu: 10.44%, Cd: 14.53%), and other possible mechanisms (Cu: 6.87%, Cd: 8.12%). Furthermore, 1MBC demonstrated excellent regeneration potential after five cycle times. Overall, the results have significant reference value for the practical application of removing heavy metals.


Asunto(s)
Agua Subterránea , Metales Pesados , Contaminantes Químicos del Agua , Cadmio/análisis , Aguas del Alcantarillado , Óxido de Magnesio , Adsorción , Contaminantes Químicos del Agua/análisis , Metales Pesados/análisis , Carbón Orgánico , Cinética
8.
Chemosphere ; 350: 141098, 2024 Feb.
Artículo en Inglés | MEDLINE | ID: mdl-38171398

RESUMEN

To fulfill the unprecedented valorization approaches for lignocellulose, this work focuses on the potential of lignin-derived catalytic systems for bio-remediation, which are natural materials perceived to address the increased demand for eco-conscious catalyzed processes. A useful lignin-functionalized cobalt (Lig-Co) catalyst has been prepared, well-characterized and deployed for the catalyzed reducing decomposition of stable harmful organic pollutants such as methylene blue (MB) and methyl orange (MO), in simple and binary systems. The multifunctional character of lignin and the presence of various active sites can promote effectively loaded metal nanoparticles (NPs). Considerably, optimizing detoxification tests showed that the uncatalyzed use of NaBH4 as a reductive agent led to an incomplete reduction of organic contaminants over a long period of up to 65 min. Interestingly, Lig-Co catalyst exhibited a high reduction rate and turnover frequency of up to 99.23% and 24.12 min-1 for MB, respectively, while they reached 99.25% and 26.21 min-1 for MO at normal temperature. Kinetically quick catalytic reaction was also demonstrated for the hybrid system, in which the rate constant k was 0.175 s-1 and 0.165 s-1 for MB and MO, respectively, within a distinctly low reaction time of around 120 s. The reproducibility of the Lig-Co catalyst induces a desirable capacity to reduce stable dyes present simultaneously in the binary system, with 6 successive catalytic runs and over 80% of activity retained. Such robust findings underline the considerable interest in developing future lignin-mediated catalytic transformations and upscaling biomass-derived products, to meet the growing demand for sustainable and eco-friendly alternatives in various industries.


Asunto(s)
Compuestos Azo , Cobalto , Lignina , Lignina/química , Cobalto/química , Reproducibilidad de los Resultados , Colorantes/química , Catálisis
9.
Environ Sci Pollut Res Int ; 31(4): 5209-5220, 2024 Jan.
Artículo en Inglés | MEDLINE | ID: mdl-38110688

RESUMEN

A promissory technic for reducing environmental contaminants is the production of biochar from waste reuse and its application for water treatment. This study developed biochar (CWb) and NH4Cl-modified biochar (MCWb) using cassava residues as precursors. CWb and MCWb were characterized and evaluated in removing dyes (Acid Blue 9 and Food Red 17) in a binary system. The adsorbent demonstrated high adsorption capacity at all pH levels studied, showing its versatility regarding this process parameter. The equilibrium of all adsorption experiments was reached in 30 min. The adsorption process conformed to pseudo-first-order kinetics and extended Langmuir isotherm model. The thermodynamic adsorption experiments demonstrated that the adsorption process is physisorption, exhibiting exothermic and spontaneous characteristics. MCWb exhibited highly efficient and selective adsorption behavior towards the anionic dyes, indicating maximum adsorption capacity of 131 and 150 mg g-1 for Food Red 17 and Acid Blue 9, respectively. Besides, MCWb could be reused nine times, maintaining its original adsorption capacity. This study demonstrated an excellent adsorption capability of biochars in removing dyes. In addition, it indicated the recycling of wastes as a precursor of bio composts, a strategy for utilization in water treatment with binary systems. It showed the feasibility of the reuse capacity that indicated that the adsorbent may have many potential applications.


Asunto(s)
Compuestos Azo , Bencenosulfonatos , Celulosa , Manihot , Contaminantes Químicos del Agua , Colorantes/química , Contaminantes Químicos del Agua/química , Concentración de Iones de Hidrógeno , Carbón Orgánico/química , Adsorción , Cinética
10.
Chemosphere ; 320: 138043, 2023 Apr.
Artículo en Inglés | MEDLINE | ID: mdl-36738939

RESUMEN

Traditional sludge disposal is currently restricted by the risk of secondary pollution. Sludge carbon material has gained widespread attention because of its low cost and environmentally sustainable properties. However, owing to the high ash content and low-energy density of sludge, sludge pyrolysis alone has certain limitations, and the performance of carbon materials needs to be improved. Herein, a sludge-cyanobacteria composite carbon (SCC) was easily synthesized, and the adsorption process of Cu(II) and Cr(VI) by SCC was examined. SCC-700-2-50% exhibited a high SBET (1047.54 m2/g) and developed pore structure rich in functional groups (such as -NH, -OH, and C-O). The combination of pore structure and functional groups improved the adsorption performance of SCC. The adsorption processes exhibited a synergistic effect in a binary system: the qm of Cu(II) and Cr(VI) were 386 mg/g and 341 mg/g, respectively, and the selectivity of Cu(II) adsorption by SCC was greater than Cr(VI). The adsorption process, examined by SEM-EDS, FTIR, and XPS analysis, indicated that Cu(II) as a cationic interface strengthens Cr(VI) adsorption through electrostatic interaction, and the anion Cr(VI) created a valid electrostatic shield against the electrostatic repulsion between H+ and Cu(II), facilitating Cu(II) adsorption. SCC had great reusability: Cu(II) and Cr(VI) adsorption capacity were 90% and 84%, of the initial adsorption capacity, respectively, after six cycles. This study demonstrates the prospect of SCC as a valid adsorbent for multiple heavy metal contaminations removal.


Asunto(s)
Metales Pesados , Contaminantes Químicos del Agua , Carbono , Aguas del Alcantarillado , Contaminantes Químicos del Agua/análisis , Cromo/química , Adsorción , Cinética , Concentración de Iones de Hidrógeno
11.
Molecules ; 28(2)2023 Jan 04.
Artículo en Inglés | MEDLINE | ID: mdl-36677528

RESUMEN

The physicochemical properties of binary systems are of great importance for the application of the latter. We report on the investigation of an ammonium sulfamate-urea binary system with different component ratios using a combination of experimental (FTIR, XRD, TGA/DSC, and melting point) and theoretical (DFT, QTAIM, ELF, RDG, ADMP, etc.) techniques. It is shown that, at a temperature of 100 °C, the system under study remains thermally and chemically stable for up to 30 min. It was established using X-ray diffraction analysis that the heating time barely affects the X-ray characteristics of the system. Data on the aggregate states in specified temperature ranges were obtained with thermal analysis and determination of the melting point. The structures of the ammonium sulfamate-urea system with different component ratios were optimized within the density functional theory. The atom-centered density matrix propagation calculation of the ammonium sulfamate-urea system with different component ratios was performed at temperatures of 100, 300, and 500 K. Regardless of the component ratio, a regular increase in the potential energy variation (curve amplitude) with an increase in temperature from 100 to 500 K was found.

12.
Appl Microbiol Biotechnol ; 106(22): 7519-7530, 2022 Nov.
Artículo en Inglés | MEDLINE | ID: mdl-36221033

RESUMEN

Monascus azaphilones (MAs) have been extensively applied as natural food coloring agents. MAs are classified into three categories: yellow MAs (YMAs), orange MAs (OMAs), and red MAs with various biological activities. However, the exact biosynthetic mechanism of OMAs and YMAs are not thoroughly elucidated. Firstly, we identified four DNA-binding residues of transcription factor MrPigB and constructed a multi-site saturation mutagenesis library of MrPigB. Then, comparative metabolite and gene expression of the mutants revealed that two oxidoreductases MrPigE and MrPigF were responsible for the formation of YMAs and OMAs. Finally, the in vitro and in vivo assays demonstrated the opposite roles of MrPigE and MrPigF in conversion of OMAs to YMAs. To our knowledge, this is the first report of a binary oxidoreductase system for dynamic regulation of fungal secondary metabolite biosynthesis. Broadly, our work also demonstrates the transcription factor engineering strategy for elucidating the biosynthetic pathway of secondary metabolite. KEY POINTS: • MrPigE converts orange Monascus azaphilones to yellow Monascus azaphilones • MrPigF oxidizes intermediates to afford orange Monascus azaphilones • MrPigE and MrPigF constitute a binary system in Monascus azaphilones biosynthesis.


Asunto(s)
Monascus , Monascus/metabolismo , Oxidorreductasas/metabolismo , Pigmentos Biológicos , Factores de Transcripción/genética , Factores de Transcripción/metabolismo
13.
Int J Biol Macromol ; 221: 238-255, 2022 Nov 30.
Artículo en Inglés | MEDLINE | ID: mdl-36057296

RESUMEN

In the present study, semi-interpenetrating polymer networks (semi-IPNs) were synthesized based on xanthan gum (XG)-cl-2-(N-morpholinoethyl methacrylate) (MEMA)/titanium dioxide (TiO2) in the presence of N, N` methylene bisacrylamide (MBAAm), as the cross-linking agent. After that, the semi-IPN hydrogel was used to adsorb Methylene Blue (MB+) and Crystal Violet (CV+) from single and two-component adsorption systems. The optimal pH for efficient dye adsorption in aqueous solutions has been determined to be 8 for CV+ and 11 for MB+, respectively. The presence of polar oxygen-containing functional groups such as OH, CO, C-O-C, COOH, and others has been noticed to be the primary driving force in dye adsorption. Equilibrium data from a single process fitted very well to the Freundlich and Dubinin-Radushkevich models (R2 = 0.997 and 0.99) for MB+ and CV+, respectively. In a binary system, CV+ removed more than MB+, and both dyes demonstrated synergism during the adsorption of CV+/MB+ solutions. The dye removal efficiency of the adsorbent was found to be quite good even after the fourth adsorption-desorption cycle. In the treatment of multi-component contaminated water, XG-cl-poly (MEMA)/TiO2 might be a beneficial and reusable adsorbent.


Asunto(s)
Contaminantes Químicos del Agua , Purificación del Agua , Colorantes/química , Agua , Metacrilatos , Cinética , Azul de Metileno/química , Adsorción , Cationes , Contaminantes Químicos del Agua/química , Concentración de Iones de Hidrógeno
14.
Carbohydr Polym ; 278: 118906, 2022 Feb 15.
Artículo en Inglés | MEDLINE | ID: mdl-34973727

RESUMEN

Starch/agar systems are highly potential for versatile applications such as packaging and biomedical materials. Here, how combined factors affect the features of a starch/agar binary system were explored. An increase of starch amylose/amylopectin ratio from 0/100 to 50/50 increased the sol-gel transition temperature and gel hardness of the aqueous starch/agar mixture. An increased agar content (mainly from 30% to 70%) allowed increases in both the tensile strength (reaching 50-60 MPa) and elongation at break of the starch/agar binary films. This phenomenon should be related to the strengthened crystalline structure and the weakened hydrogen bonding between starch chains (reflected by infrared spectroscopy). Furthermore, a higher relative humidity (from 30% to 70%) allowed enhanced chain interactions and probably nanoscale molecular order but weakened the crystalline structure, leading to reduced tensile strength and increased elongation at break. This work could facilitate the design of starch/agar binary systems with improved sol-gel and mechanical performance.


Asunto(s)
Agar/química , Materiales Biocompatibles/química , Almidón/química , Geles/química , Tamaño de la Partícula , Resistencia a la Tracción , Temperatura de Transición
15.
Gels ; 7(3)2021 Jul 24.
Artículo en Inglés | MEDLINE | ID: mdl-34449618

RESUMEN

With the intensive industrial activity worldwide, water pollution by heavy metal ions (HMIs) has become a serious issue that requires strict and careful monitoring, as they are extremely toxic and can cause serious hazards to the environment and human health. Thus, the effective and efficient removal of HMIs still remains a challenge that needs to be solved. In this context, copper(II), cobalt(II) and iron(III) sorption by chitosan (CS)-based composite sponges was systematically investigated in binary and ternary systems. The composites sponges, formed into beads, consisting of ethylenediaminetetraacetic acid (EDTA)- or diethylenetriaminepentaacetic acid (DTPA)-functionalized CS, entrapping a natural zeolite (Z), were prepared through an ice-segregation technique. The HMI sorption performance of these cryogenically structured composite materials was assessed through batch experiments. The HMI sorption capacities of CSZ-EDTA and CSZ-DTPA composite sponges were compared to those of unmodified sorbents. The Fe(III) ions were mainly taken up when they were in two-component mixtures with Co(II) ions at pH 4, whereas Cu(II) ions were preferred when they were in two-component mixtures with Co(II) ions at pH 6. The recycling studies indicated almost unchanged removal efficiency for all CS-based composite sorbents even after the fifth cycle of sorption/desorption, supporting their remarkable chemical stability and recommending them for the treatment of HMI-containing wastewaters.

16.
Eur J Pharm Sci ; 166: 105960, 2021 Nov 01.
Artículo en Inglés | MEDLINE | ID: mdl-34339828

RESUMEN

Our study aimed to formulate a novel dexamethasone (DXM)-loaded, mixed polymeric micelle-based drug delivery system, focusing on the auspicious nose-to-brain pathway, as a key delivery route to treat central nervous system (CNS) associated diseases. Polymeric micelles might be a solution to deliver drugs to the place of action compared to conventional formulations. Due to low Z-average (89.92 ± 2.7 nm), a polydispersity index of 0.216 ± 0.014 and high surface polarity (52.23%), a significant increase in water solubility (14-fold) was experienced. This increase resulted in favourable dissolution profile at nasal and axonal conditions with high in vitro permeability value (14.6×10-6 cm/s) on polar brain (porcine) lipid extract. Modified Side-bi-side® type diffusion study confirmed rapid and efficient passive diffusion through the nasal mucosa contributed by strong mucoadhesive properties. The final formulation met all the requirements of a nasal drug delivery system with rapid onset of action, meaning DXM can reach the CNS and there it can exert its beneficial effects in pathological conditions.


Asunto(s)
Portadores de Fármacos , Micelas , Animales , Dexametasona , Sistemas de Liberación de Medicamentos , Tamaño de la Partícula , Polímeros , Solubilidad , Porcinos
17.
Food Chem ; 364: 130435, 2021 Dec 01.
Artículo en Inglés | MEDLINE | ID: mdl-34175619

RESUMEN

In order to clarify the effects of extrusion treatment on the processing properties of extrudates, providing a theoretical basis for the production of gluten-based extrudates with favorable sensory quality. This study examined the effects of various extrusion temperatures on the rheological properties of wheat gluten-peanut oil complexes (WPE) and wheat gluten (WG). At the extrusion temperature conditions of this study, the dynamic moduli of gluten in WG and WPE reached the maximum, and the creep strain reached a minimum at 160 °C. Extrusion treatment resulted in the decrease in ß-sheet and α-helix content and an increase in the amount of ß-turns and random coils. The secondary structural changes and increase in the number of disulfide bonds led to gluten aggregation, thus affecting their rheological properties. These results enhance our understanding of the variations in the rheological properties of extrudates and promote the potential application of gluten-based complexes in extrusion.


Asunto(s)
Glútenes , Triticum , Aceite de Cacahuete , Reología
18.
Heliyon ; 7(3): e06511, 2021 Mar.
Artículo en Inglés | MEDLINE | ID: mdl-33768181

RESUMEN

Thermodynamic and surface properties of the ternary system were studied at different higher temperatures (1973 K, 2073 K, 2173 K and 2273 K). The thermodynamic properties were studied using the Chou, Kohler and Toop models. Meanwhile, the surface properties were investigated using the same models plus the Butler model. The thermodynamic and surface properties of the ternary alloys computed from different models were compared with one another. The surface concentration of the components of the ternary Ti-Al-Si alloy was computed using Butler's equation.

19.
Environ Pollut ; 278: 116841, 2021 Jun 01.
Artículo en Inglés | MEDLINE | ID: mdl-33735792

RESUMEN

Here, we aimed to synthesize UiO-66 architected fumaric acid mediated lanthanum (La-fum), zirconium (Zr-fum), and cerium (Ce-fum) metal-organic frameworks (MOFs) for co-immobilizations of both arsenate and fluoride from both single and binary systems. The crystalline behavior of Zr-fum MOF was the lowest compared to the other two forms, due to the fact that it required a modulator support as the nucleus growth nature of zirconium moiety is different. The Langmuir maximum adsorption densities of arsenate (fluoride) were 2.689 (4.240), 1.666 (2.255), and 2.174 (4.155) mmol/g for La-fum, Zr-fum, and Ce-fum, respectively and these adsorption densities were found to have record-high values compared with the existing materials in the literature. The arsenate and fluoride adsorption on the MOF materials were confirmed by XPS, PXRD and FTIR studies. The arsenate adsorption mechanism on La-fum and Ce-fum through monodentate complexation confirmed using the distinguished K-edge shell distance in EXAFS studies. The arsenate and fluoride-sorbed materials were recycled using 0.01 M HNO3 and were further utilized for six consecutive cycles for both arsenate and fluoride adsorption indicated the feasibility of the materials. This kind of facile and easy solvothermal synthesized MOFs could pave a way towards the removal of toxins in a practical wastewater as these have superior adsorption properties, stability and reusability.


Asunto(s)
Arseniatos , Estructuras Metalorgánicas , Adsorción , Fluoruros , Aguas Residuales
20.
ACS Appl Mater Interfaces ; 13(9): 11449-11460, 2021 Mar 10.
Artículo en Inglés | MEDLINE | ID: mdl-33645207

RESUMEN

The most direct approach to determining if two aqueous solutions will phase-separate upon mixing is to exhaustively screen them in a pair-wise fashion. This is a time-consuming process that involves preparation of numerous stock solutions, precise transfer of highly concentrated and often viscous solutions, exhaustive agitation to ensure thorough mixing, and time-sensitive monitoring to observe the presence of emulsion characteristics indicative of phase separation. Here, we examined the pair-wise mixing behavior of 68 water-soluble compounds by observing the formation of microscopic phase boundaries and droplets of 2278 unique 2-component solutions. A series of machine learning classifiers (artificial neural network, random forest, k-nearest neighbors, and support vector classifier) were then trained on physicochemical property data associated with the 68 compounds and used to predict their miscibility upon mixing. Miscibility predictions were then compared to the experimental observations. The random forest classifier was the most successful classifier of those tested, displaying an average receiver operator characteristic area under the curve of 0.74. The random forest classifier was validated by removing either one or two compounds from the input data, training the classifier on the remaining data and then predicting the miscibility of solutions involving the removed compound(s) using the classifier. The accuracy, specificity, and sensitivity of the random forest classifier were 0.74, 0.80, and 0.51, respectively, when one of the two compounds to be examined was not represented in the training data. When asked to predict the miscibility of two compounds, neither of which were represented in the training data, the accuracy, specificity, and sensitivity values for the random forest classifier were 0.70, 0.82 and 0.29, respectively. Thus, there is potential for this machine learning approach to improve the design of screening experiments to accelerate the discovery of aqueous two-phase systems for numerous scientific and industrial applications.

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