Your browser doesn't support javascript.
loading
Mostrar: 20 | 50 | 100
Resultados 1 - 20 de 131
Filtrar
Mais filtros












Base de dados
Intervalo de ano de publicação
1.
Angew Chem Int Ed Engl ; : e202403658, 2024 May 13.
Artigo em Inglês | MEDLINE | ID: mdl-38738600

RESUMO

The high degree of corrosivity and reactivity of bromine, which is released from various sources, poses a serious threat to the environment. Moreover, its coexistence with iodine forming an equilibrium compound, iodine monobromide (IBr) necessitates the selective capture of bromine from halogen mixtures. The electrophilicity of halogens to π-electron rich structures enabled us to strategically design a covalent organic framework for halogen capture, featuring a defined pore environment with localized sorption sites. The higher capture capacity of bromine (4.6 g g-1) over iodine by ~41 % shows its potential in selective capture. Spectroscopic results uncovering the preferential interaction sites are supported by theoretical investigations. The alkyne bridge is a core functionality promoting the selectivity in capture by synergistic physisorption, rationalized by the higher orbital overlap of bromine due to its smaller atomic size as well as reversible chemical interactions. The slip stacking in the structure has further promoted this phenomenon by creating clusters of molecular interaction sites with bromine intercalated between the layers. The inclusion of unsaturated moieties, i.e. triple bonds and the complementary pore geometry offer a promising design strategy for the construction of porous materials for halogen capture.

2.
ACS Appl Mater Interfaces ; 16(22): 28435-28440, 2024 Jun 05.
Artigo em Inglês | MEDLINE | ID: mdl-38768216

RESUMO

The optical and photonic characteristics of monolayer transition metal dichalcogenides (TMDs) play a pivotal role in their functionality as solar cell materials, light-emitting diodes (LEDs), and other electro-optical applications. In this study, we reveal the impact of prolonged illumination on the luminescence properties and Raman spectra of monolayered MoS2 and WS2─a process known as "light soaking". We find a light-induced transition from the physisorption to the chemisorption of ambient O2 and H2O molecules. In parallel, we observe the activation and passivation of defect sites in the samples (depending on their initial defect density), which is attributed to the adsorbed ambient molecules and the resulting light-driven interactions with defect sites. Thus, we can control the active defect density of monolayered TMDs and shed light on the fundamental mechanisms underlying their luminescence properties. Therefore, this work clarifies the source of changes to the luminescence properties of TMDs and opens the path toward their integration into advanced applications that may be affected by light soaking, such as solar cells and energy devices.

3.
Adv Mater ; 36(26): e2401739, 2024 Jun.
Artigo em Inglês | MEDLINE | ID: mdl-38618663

RESUMO

Hydrogen storage is crucial in the shift toward a carbon-neutral society, where hydrogen serves as a pivotal renewable energy source. Utilizing porous materials can provide an efficient hydrogen storage solution, reducing tank pressures to manageable levels and circumventing the energy-intensive and costly current technological infrastructure. Herein, two highly porous aromatic frameworks (PAFs), C-PAF and Si-PAF, prepared through a Yamamoto C─C coupling reaction between trigonal prismatic monomers, are reported. These PAFs exhibit large pore volumes and Brunauer-Emmett-Teller areas, 3.93 cm3 g-1 and 4857 m2 g-1 for C-PAF, and 3.80 cm3 g-1 and 6099 m2 g-1 for Si-PAF, respectively. Si-PAF exhibits a record-high gravimetric hydrogen delivery capacity of 17.01 wt% and a superior volumetric capacity of 46.5 g L-1 under pressure-temperature swing adsorption conditions (77 K, 100 bar → 160 K, 5 bar), outperforming benchmark hydrogen storage materials. By virtue of the robust C─C covalent bond, both PAFs show impressive structural stabilities in harsh environments and unprecedented long-term durability. Computational modeling methods are employed to simulate and investigate the structural and adsorption properties of the PAFs. These results demonstrate that C-PAF and Si-PAF are promising materials for efficient hydrogen storage.

4.
Nanomaterials (Basel) ; 14(8)2024 Apr 09.
Artigo em Inglês | MEDLINE | ID: mdl-38668144

RESUMO

Four ceria-based mesoporous oxide materials were prepared using a new vacuum impregnation (VI) templating method developed by the authors, namely, vacuum-assisted nanocasting (VAN). Two hard templates (SBA-15 and KIT-6) were employed, and products with compositions CeO2 and Ce0.9Gd0.1O1.9 (CGO) were made with each. The desired fluorite phase and composition were confirmed by powder XRD and EDS. The product structures were characterised by XRD, TEM, gas physisorption and SAXS. All products contained ordered mesoporous material in high yields. The specific surface areas (SSAs) and pore volumes of the products were determined to be high and the pore size and pore spacings related well to the templates from which the materials were synthesised. The TEM studies confirmed that the samples had a 3D pore structure, with this being the negative of the original template. The target materials were not only produced in high yields, but also displayed a porous single-crystal morphology with non-linear lattice planes. The highest SSA values and pore volumes were reported for materials impregnated using the KIT-6 template and with the CGO composition. The results suggest that VAN is an excellent and reproducible method for producing ordered mesoporous cerias and has considerable potential for wider application. All the mesoporous products showed dramatically increased reducibility in TPR experiments compared with a high-SSA nanoparticulate ceria reference. This is very promising for their potential applications in oxidation catalysts and in fuel cell components.

5.
Membranes (Basel) ; 14(3)2024 Feb 27.
Artigo em Inglês | MEDLINE | ID: mdl-38535281

RESUMO

The interaction between anesthetic Isoflurane (Iso) and model-biomembrane on the water surface has been investigated using quartz crystal microbalance (QCM) and quartz crystal impedance (QCI) methods. The model-biomembranes used were dipalmitoyl phosphatidyl choline (DPPC), DPPC-palmitic acid (PA) mixture (DPPC:PA = 8:2), DPPC-Alamethicin (Al) mixture (DPPC:Al = 39:1), and DPPC-ß-Lactoglobulin (ßLG) mixture (DPPC:ßLG = 139:1) monolayers, respectively. The quartz crystal oscillator (QCO) was attached horizontally to each monolayer, and QCM and QCI measurements were performed simultaneously. It was found that Iso hydrate physisorbed on each monolayer/water interface from QCM and changed those interfacial viscosities from QCI. With an increase in Iso concentration, pure DPPC, DPPC-PA mixed, and DPPC-Al mixed monolayers showed a two-step process of Iso hydrate on both physisorption and viscosity, whereas it was a one-step for the DPPC-ßLG mixed monolayer. The viscosity change in the DPPC-ßLG mixed monolayer with the physisorption of Iso hydrate was much larger than that of other monolayers, in spite of the one-step process. From these results, the action mechanism of anesthetics and their relevance to the expression of anesthesia were discussed, based on the "release of interfacial hydrated water" hypothesis on the membrane/water interface.

6.
Environ Res ; 251(Pt 1): 118541, 2024 Jun 15.
Artigo em Inglês | MEDLINE | ID: mdl-38417656

RESUMO

Aquatic ecosystems and potable water are being exploited and depleted due to urbanization and the encouragement of extensive industrialization, which induces the scarcity of pure water. However, current decontamination methods are limited and inefficient. Various innovative remediation strategies with novel nanomaterials have recently been demonstrated for wastewater treatment. Carbon dots (C-dots) and graphene quantum dots (GQ-dots) are the most recent frontiers in carbon nanomaterial-based adsorption studies. C-dots are extremely small (1-10 nm) quasi-spherical carbon nanoparticles (mostly sp3 hybridized carbon), whereas GQ-dots are fragments of graphene (1-20 nm) composed of primarily sp2 hybridized carbon. This article highlights the function of C-dots and GQ-dots with their specifications and characteristics for the efficient removal of organic and inorganic contaminants in water via adsorption chromatography. The alteration of adsorption attributes with the hybrid blending of these dots has been critically analyzed. Moreover, various top-down and bottom-up approaches for synthesizing C-dots and GQ-dots, which ultimately affect their morphology and structure, are described in detail. Finally, we review the research deficit in the adsorption of diverse pollutants, fabrication challenges, low molecular weight, self-agglomeration, and the future of the dots by providing research prospects and selectivity and sensitivity perspectives, the importance of post-adsorption optimization strategies and the path toward scalability at the tail of the article.


Assuntos
Carbono , Grafite , Pontos Quânticos , Poluentes Químicos da Água , Pontos Quânticos/química , Grafite/química , Adsorção , Poluentes Químicos da Água/análise , Poluentes Químicos da Água/química , Carbono/química , Purificação da Água/métodos , Cromatografia/métodos , Descontaminação/métodos
7.
Chemosphere ; 352: 141475, 2024 Mar.
Artigo em Inglês | MEDLINE | ID: mdl-38367873

RESUMO

The powdered citrus peel, which has been replaced with sodium hydroxide, was used in this study to test how well methylene blue and reactive black 5 dyestuff absorbed one or both. To find out about the texture and surface chemistry of modified citrus peel, Fourier transform infrared spectroscopy and scanning electron microscope analyses were carried out. Fourier transform infrared spectroscopy data revealed the presence of amphoteric radicals on the modified citrus peel surface, indicating the effective adsorption of methylene blue and reactive black 5. Many parameters affecting the batch adsorption process, such as modified citrus peel dose (0.1-0.5 g), pH (2-10), time (20-80 min), stirring speed (60-180 rpm), and temperature (20-45 °C), were studied. It is seen that the physical effect is at the forefront, homogeneous monolayer adsorption occurs, and the process fits the Langmuir and pseudo first order models for dyestuffs. Thermodynamic modeling showed that the adsorption of methylene blue and reactive black 5 was spontaneous and endothermic. At pH 2, an adsorption capacity of 0.67 mg/g and a removal efficiency of 66.86% were achieved for reactive black 5. For methylene blue at pH 6, the adsorption capacity was 4.34 mg/g, and the decolorization rate was 87%. The decreases in the removal rates of dyestuffs in the binary system indicate that they are affected by their simultaneous presence in the solution. The results proved that modified citrus peel can be useful for dyestuff removal in single or binary systems, although the removal capacity of modified citrus peel is highly dependent on methylene blue and reactive black 5.


Assuntos
Citrus , Naftalenossulfonatos , Poluentes Químicos da Água , Citrus/química , Adsorção , Azul de Metileno/química , Cinética , Poluentes Químicos da Água/análise , Concentração de Íons de Hidrogênio , Termodinâmica , Espectroscopia de Infravermelho com Transformada de Fourier
8.
J Phys Condens Matter ; 36(23)2024 Mar 14.
Artigo em Inglês | MEDLINE | ID: mdl-38417164

RESUMO

The adsorption of organic molecules to surfaces is a central issue to achieve fully-functional molecular devices, for which porphyrins are well-studied due to their chemical stability and functional diversity. Herein, we investigate both the physical and the chemical adsorption of the free-base tetraphenylporphyrin 2H-TPP on the Cu(111) surface within the framework of density functional theory and find that the most stable physisorbed configuration is more weakly bound by -0.31 eV than the chemisorbed configuration. We use the electron localization function to investigate the difference in binding mechanisms between strong physisorption and weak chemisorption. We have computed a reaction barrier of 0.12 eV in going from physical binding to chemical bonding to the surface, and a barrier of 50 meV in going between neighboring physical binding sites. Our results support the possibility of realizing free-base porphyrins either physisorbed or chemisorbed on Cu(111) depending on the deposition procedure and experimental conditions.

9.
Mol Biotechnol ; 2024 Jan 29.
Artigo em Inglês | MEDLINE | ID: mdl-38286973

RESUMO

In the world of fast fashion, textile industries are blooming rapidly to meet the consumer's demands. However, vast amounts of wastewater have been constantly produced, and it is becoming a serious environmental problem in the waterways. Although the technology for treating textile wastewater has been well reported and established, more sustainable efforts have taken the attention nowadays. Through the use of living Malaysian Ganoderma lucidum mycelial pellets (GL) and activated dolomite (AD) in the treatment system, the study explores the synergy between biosorption and physisorption as alternative treatment for textile wastewater. In the current work, mixture of GL premixed with AD (50:50; v/v) is used to treat industrial textile wastewater. The morphology, adsorption characteristics, and antibacterial activity of the adsorbents were studied. The mixture of adsorbents is capable of removing colours by 77.8% and reducing chemical oxygen demand (COD) by 75% within 48 h contact. Furthermore, the kinetic and adsorption had been studied and follow the pseudo-first-order kinetic model while both adsorption of Langmuir and Freundlich model was deduced from the treatment. In addition, antimicrobial activities from the treatment potentially reduced 10 × 101 CFU/mL after 48 h. The synergistic treatment by Ganoderma lucidum mycelial pellets and activated dolomite has immense potential in future wastewater treatment technology to obtain cleaner water.

10.
Environ Res ; 238(Pt 2): 117196, 2023 12 01.
Artigo em Inglês | MEDLINE | ID: mdl-37778603

RESUMO

Chlorpheniramine (CPM) and Ciprofloxacin (CIP) adsorption onto a granular (GAC) and pelletized activated carbon (PAC) analyzing the physicochemical mechanisms involved using the carbon's characterization were studied. Adsorption isotherm studies were performed at temperatures of 25 °C at pH values of 4, 7 and 9 and at 45 °C at a pH of 7. The characterization demonstrated that GAC has a predominantly acid character due to its predominantly negative surface charge and acidic site concentration alongside the characteristic bands detected in the X-ray Photoemission Spectroscopy (XPS) study. On the other hand, PAC presented a mostly basic character due to its positive surface charge and basic site concentrations. The adsorption isotherm studies demonstrated that the Freundlich isotherm better described the equilibrium data with an average deviation percentage of 7.45 and 6.74 for GAC and PAC. The temperature and desorption studies demonstrated that the adsorption process occurs through a chemisorption mechanism, and the pH study alongside the GAC and PAC characterization demonstrated that the mechanisms involved are a combination of electrostatic interactions and pi-pi interactions between the CPM and CIP molecules and the carbon's surface. These results demonstrate that the adsorption process of these pharmaceutical compounds is done through a combination of physical and chemical interactions.


Assuntos
Ciprofloxacina , Poluentes Químicos da Água , Ciprofloxacina/química , Carvão Vegetal/química , Clorfeniramina , Poluentes Químicos da Água/química , Cinética , Adsorção
11.
Nanotechnology ; 35(10)2023 Dec 18.
Artigo em Inglês | MEDLINE | ID: mdl-37848020

RESUMO

Van der Waals heterostructures provide a new opportunity for constructing new structures and improving the performance of electronic and optoelectronic devices. However, the existing methods of constructing heterojunctions are still faced with problems such as impurity introduction, or complex preparation process and limited scope of application. Herein, a physisorption method is proposed to composite CuO nanorods on the surface of MoS2nanosheets. CuO nanorods and MoS2form type-Ⅱ heterojunctions, which promotes the separation and transport of photo-generated charge carriers. More importantly, compared with the transfer and coating methods, the physical adsorption method avoids the introduction of auxiliary materials during the whole process of constructing the heterojunction, and therefore effectively reduces the damage and pollution at the interface. The optimized MoS2/CuO heterojunction photodetector achieves a high photoresponsivity of ∼680.1 A W-1and a fast response speed of ∼29µs. The results demonstrate that the physisorption method provides a feasible approach to realize high performance photodetectors with pollution-free interfaces, and it can also be extended to the development of other low-dimensional hybrid heterojunction electronic and optoelectronic devices.

12.
J Mol Model ; 29(10): 309, 2023 Sep 09.
Artigo em Inglês | MEDLINE | ID: mdl-37688608

RESUMO

CONTEXT: N-Nitrosamine is one of the highly toxic carcinogenic compounds that are found almost in the entire environment. In the present work, novel penta-silicene (penta-Si) and penta-silicane (penta-HSi) are utilised to sense the N-nitrosamine in the air environment. Initially, structural firmness of penta-Si and penta-HSi is confirmed using cohesive energy. Subsequently, the electronic properties of penta-Si and penta-HSi are discussed with the aid of electronic band structure and projected density of states (PDOS) maps. The calculated band gap of penta-Si and penta-HSi is 0.251 eV and 3.117 eV, correspondingly. Mainly, the adsorption property of N-nitrosamine on the penta-Si and penta-HSi is studied based on adsorption energy, Mulliken population analysis along with relative energy gap changes. The computed adsorption energy range is in physisorption (- 0.101 to - 0.619 eV), which recommends that the proposed penta-Si and penta-HSi can be employed as a promising sensor to detect the N-nitrosamine in the air environment. METHODS: The structural, electronic and adsorption behaviour of N-nitrosamine on penta-Si and penta-HSi are studied based on the density functional theory (DFT) approach. The hybrid generalized gradient approximation (GGA) with Becke's three-parameter (B3) + Lee-Yang-Parr (LYP) exchange correlation functional is used to optimise the base material. All calculations in the present work are carried out in Quantum-ATK-Atomistic Simulation Software.

13.
Environ Sci Pollut Res Int ; 30(35): 84314-84333, 2023 Jul.
Artigo em Inglês | MEDLINE | ID: mdl-37365364

RESUMO

This article focuses on the H2S adsorption from normal heptane (nC7) as synthetic natural gas liquids (NGL) using ZnO, SiO2 and zeolite 13X in static mode. Results of the isotherm and kinetics of the investigated adsorbents for H2S adsorption under ambient condition showed that ZnO had the highest H2S adsorption capacity between 260 and 700 mgH2S.g-1 in the initial concentration range of 2500 and 7500 ppmH2S with an equilibrium time of less than 30 minutes. Additionally, the ZnO selectivity was greater than 3.16. In continued, H2S removal from nC7 with ZnO was examined in dynamic mode. The H2S breakthrough time for ZnO reduced from 210 to 25 minutes as weight hourly space velocity (WHSV) was increased from 5 to 20 h-1 at 30 bar. Also, the breakthrough time at 30 bar was about 2.5 times greater than that at atmospheric pressure. Furthermore, H2S/CO2 mixture (i.e., 1000 ppmH2S + 1000 ppmCO2) caused the H2S breakthrough time to increase approximately by 1.11-fold. Alternatively, the ZnO regeneration conditions with hot stagnant air were optimized at different initial H2S concentrations (1000 ~ 3000 ppmH2S) using the Box-Behnken design. For instance, ZnO contaminated with 1000 ppmH2S was regenerated with an efficiency of more than 98 % for 160 minutes at 285 °C.


Assuntos
Sulfeto de Hidrogênio , Zeolitas , Óxido de Zinco , Dióxido de Silício , Adsorção , Cinética
14.
ACS Biomater Sci Eng ; 9(5): 2335-2346, 2023 05 08.
Artigo em Inglês | MEDLINE | ID: mdl-37021798

RESUMO

Bacteriophages represent a remarkably versatile probe for biosensing and a key component of a new class of bioactive surfaces. Chemical immobilization of bacteriophages is a key operation enabling such applications, yet despite this, rarely is a comparison made between immobilization chemistries or for multiple phages with the same parameters. Here, we report the immobilization of bacteriophages 44AHJD, P68, Remus, and gh-1 by physisorption and covalent cross-linking via a series of thiolated reagents: 11-mercaptoundecanoic acid (11-MUA), l-cysteine with 11-MUA, l-cysteine with glutaraldehyde, and dithiobis(succinimidyl propionate). Surprisingly, phage purification protocols showed significant impact on the phage immobilization efficiency. Indeed, purification of phages by density gradient (CsCl) ultracentrifugation and centrifugal ultrafiltration was found to have a dramatic determinant effect on the quality of the immobilized layer. Surface densities of 160 ± 13.9 phage/µm2 were observed when careful phage purification was combined with 11-MUA self-assembled monolayer functionalization of the surface. High-resolution scanning electron microscopy enabled direct confirmation of immobilization, along with calculation of phage densities on the surface, and even resolution of phage capsid substructures.


Assuntos
Bacteriófagos , Técnicas Biossensoriais , Técnicas Biossensoriais/métodos , Ouro , Cisteína , Glutaral
15.
Materials (Basel) ; 15(23)2022 Nov 22.
Artigo em Inglês | MEDLINE | ID: mdl-36499791

RESUMO

A novel technique was employed to optimize the CO2 sorption performance of spent shale at elevated pressure-temperature (PT) conditions. Four samples of spent shale prepared from the pyrolysis of oil shale under an anoxic condition were further modified with diethylenetriamine (DETA) and ethylenediamine (EDA) through the impregnation technique to investigate the variations in their physicochemical characteristics and sorption performance. The textural and structural properties of the DETA- and EDA- modified samples revealed a decrease in the surface area from tens of m2/g to a unit of m2/g due to the amine group dispersing into the available pores, but the pore sizes drastically increased to macropores and led to the creation of micropores. The N-H and C-N bonds of amine noticed on the modified samples exhibit remarkable affinity for CO2 sequestration and are confirmed to be thermally stable at higher temperatures by thermogravimetric (TG) analysis. Furthermore, the maximum sorption capacity of the spent shale increased by about 100% with the DETA modification, and the equilibrium isotherm analyses confirmed the sorption performance to support heterogenous sorption in conjunction with both monolayer and multilayer coverage since they agreed with the Sips, Toth, Langmuir, and Freundlich models. The sorption kinetics confirm that the sorption process is not limited to diffusion, and both physisorption and chemisorption have also occurred. Furthermore, the heat of enthalpy reveals an endothermic reaction observed between the CO2 and amine-modified samples as a result of the chemical bond, which will require more energy to break down. This investigation reveals that optimization of spent shale with amine functional groups can enhance its sorption behavior and the amine-modified spent shale can be a promising sorbent for CO2 sequestration from impure steams of the natural gas.

16.
Materials (Basel) ; 15(23)2022 Nov 26.
Artigo em Inglês | MEDLINE | ID: mdl-36499916

RESUMO

Hydration is the exothermic reaction between anhydrous cement and water, which forms the solid cement matrix of concrete. Being able to evaluate the hydration is of high interest for the use of both conventional and more climate-friendly building materials. The experimental monitoring is based on temperature or moisture measurements. The first needs adiabatic conditions, which can only be achieved in laboratory. The latter is often measured comparing the weight of the material sample before and after oven drying, which is time-consuming. This study investigates the moisture content of two cement-based and two calcium sulphate based mixtures for the first 90 days by using the calcium carbide method and oven drying at 40 °C and 105 °C (Darr method). Thereby, the amount of chemically bound water is determined to derive the degree of hydration. The calcium carbide measurements highly coincide with oven drying at 40 °C. The calcium carbide method is therefore evaluated as a suitable alternative to the time-consuming Darr drying. The prompt results are seen as a remarkable advantage and can be obtained easily in laboratory as well as in the field.

17.
ACS Appl Mater Interfaces ; 14(34): 39467-39477, 2022 Aug 31.
Artigo em Inglês | MEDLINE | ID: mdl-35994435

RESUMO

The phosphonic acid (PA) surface treatment on various metal substrates is of high industrial relevance, and the PA molecular structure significantly affects its quality. In this work, systematic variation of the PA molecular steric and electron environment helps discern two steady-state adsorption modes on an aluminum surface. The PA molecular structure was varied systematically, which included inorganic phosphorus acid, alkyl phosphonic acids, and phenyl phosphonic acids. To explore their in situ dynamics of adsorption/desorption on the electrochemically unstable aluminum, techniques such as electrochemical impedance spectroscopy and inductively coupled plasma optical emission spectrometry were employed. A range of different types of interfacial layers are formed on the aluminum surface, namely, from the dissolution-limiting physisorbed layer to a quasi-inhibiting chemisorbed layer on the aluminum surface in acidic (pH ≈ 2.2) solution. Presented findings establish the dynamic steady-state nature of this type of interface. They reveal fundamental relationships among adsorbent steric or electronic effects, the steady-state interface morphology, and the steady-state aluminum dissolution rate. The study brings also a more differentiated molecular structure-related description of the aluminum dissolution inhibition of PAs and relates it to molecular density functional theory calculations.

18.
J Chromatogr A ; 1676: 463278, 2022 Aug 02.
Artigo em Inglês | MEDLINE | ID: mdl-35785677

RESUMO

The flexible and reversible preparation of columns for use in high-performance solid phase extraction chromatography by physisorption of organophosphorus acid extractants has been investigated in detail. Two extractants have been evaluated, bis (2-ethyl-1-hexyl) phosphoric acid (HDEHP) and 2-ethyl-1-hexyl (2-ethyl-1-hexyl) phosphonic acid (HEHEHP), but the developed procedure should be broadly applicable to other extractants. The liquid-liquid solubility of the extractants in feed solvents consisting of aqueous ethanol solutions of varying composition has been determined. The total amount of adsorbed extractant has been quantified by complete desorption and elution with ethanol followed by acid-base titrimetry. Column impregnation with feed solutions of varying concentration in the undersaturated region has been systematically evaluated, and the influence of a subsequent water wash step has been explored. It is shown that to achieve a robust and reproducible physisorption, the adsorbed amount of extractant should be determined after the wash step, and care must be taken when using indirect methods of measurement. Equilibrium Langmuir-type adsorption isotherms as a function of the extractant concentration in the feed solution have been determined. Adsorption of HEHEHP is higher than HDEHP for equal feed compositions, but the solubility of HEHEHP is lower, resulting in approximately identical maximum coverage levels. The ability of the resulting columns to separate rare earth elements have been verified for a mixture of eight metals using a combined isocratic and gradient elution of nitric acid.


Assuntos
Compostos Organofosforados , Extração em Fase Sólida , Cromatografia Líquida de Alta Pressão/métodos , Etanol , Solventes/química , Água/química
19.
J Comput Chem ; 43(21): 1403-1419, 2022 Aug 05.
Artigo em Inglês | MEDLINE | ID: mdl-35668546

RESUMO

Experimental isotherms of N2 and CO2 on carbon-based porous materials and models of the physisorption of gases on surfaces are used to obtain the pore size distribution (PSD). An accurate modelization of the physisorption of N2 and CO2 on the surface of carbon-based porous materials is important to obtain accurate N2 and CO2 storage capacities and reliable PSDs. Physisorption depends on the dispersion interactions. High precision ab initio methods, such as CCSD(T), consider accurately the dispersion interactions, but they are computationally expensive. Double hybrid, hybrid and DFT-based methods are much less expensive. In the case of graphene, there are experimental data of the adsorption of N2 and CO2 on graphite that can be used to build the Steele interaction potential of these gases on graphene. The goal is to find out hybrid and/or DFT methods that are as accurate as the CCSD(T) on benzene and as accurate as the experimental results on graphene. Calculations of the interaction energy curves of N2 and CO2 on benzene and graphene have been carried out using the CCSD(T) method and several double hybrid, hybrid, and DFT methods that consider the dispersion interactions. The energy curves on benzene have been compared to the CCSD(T) and the energy curves on graphene have been compared with the Steele energy curves. The comparisons indicate that double hybrids with dispersion corrections and ωB97 based DFT methods are accurate enough for benzene. For graphene, only the PBE-XDM functional has a good agreement with the Steele energy curves.

20.
Artigo em Inglês | MEDLINE | ID: mdl-35653580

RESUMO

Plasmonic biosensors are increasingly being used for the analysis of extracellular vesicles (EVs) originating from disease areas. However, the high non-specific binding of EVs to a gold-sensing surface has been a critical problem and hindered the true translational potential. Here, we report that direct antibody immobilization on the plasmonic gold surface via physisorption shows excellent capture of cancer-derived EVs with ultralow non-specific binding even at very high concentrations. Contrary to commonly used methods that involve thiol-based linker attachment and an EDC/sulfo-NHS reaction, we show a higher specific capture rate and >50-fold lower non-specific on citrate-capped plain and nanopatterned gold surfaces. The method provides a simple, fast, and reproducible means to functionalize plasmonic gold surfaces with antibodies for robust EV biosensing.

SELEÇÃO DE REFERÊNCIAS
DETALHE DA PESQUISA
...