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1.
Commun Chem ; 6(1): 86, 2023 May 02.
Artigo em Inglês | MEDLINE | ID: mdl-37130956

RESUMO

The structure and functionality of biomacromolecules are often regulated by chemical bonds, however, the regulation process and underlying mechanisms have not been well understood. Here, by using in situ liquid-phase transmission electron microscopy (LP-TEM), we explored the function of disulfide bonds during the self-assembly and structural evolution of sulfhydryl single-stranded DNA (SH-ssDNA). Sulfhydryl groups could induce self-assembly of SH-ssDNA into circular DNA containing disulfide bonds (SS-cirDNA). In addition, the disulfide bond interaction triggered the aggregation of two SS-cirDNA macromolecules along with significant structural changes. This visualization strategy provided structure information at nanometer resolution in real time and space, which could benefit future biomacromolecules research.

2.
ACS Omega ; 8(13): 11790-11800, 2023 Apr 04.
Artigo em Inglês | MEDLINE | ID: mdl-37033814

RESUMO

This work presents a screening method of physical solvents for methyl mercaptan (MeSH) absorption using quantum chemical calculations. The absorption solubility and thermodynamic behaviors of dimethyl sulfoxide (DMSO), sulfolane (SUL), propylene carbonate (PC), N,N-dimethylformamide (DMF), and 1-methyl-2-pyrrolidinone (NMP) for MeSH were calculated and analyzed using the COSMO-RS model, and the absorption mechanism was probed combining the quantum theory of atoms in molecules (QTAIM) and reduced density gradient (RDG). Results show that the absorption solubility of the five solvents for MeSH by COSMO-RS model calculations follow the order of NMP > PC > DMSO > SUL > DMF, and the van der Waals forces and hydrogen bond forces determine the absorption solubility of physical solvents for MeSH. In addition, the experimental results of MeSH Henry coefficients in the above five solvents follow the same order as the calculated results. However, the calculated Henry coefficients' value largely deviates from the experimental value; therefore, we believe that this calculation method is only available for qualitative screening. This work provided a feasible approach to screening high-performance physical solvents for MeSH removal.

3.
Langmuir ; 38(32): 9822-9832, 2022 Aug 16.
Artigo em Inglês | MEDLINE | ID: mdl-35921226

RESUMO

Dynamic wetting, described by a dynamic contact angle (DCA), is a fundamental behavior of fluid on surface. With the development of blue energy, the research of droplet nanogenerator is flourishing. There is a growing interest in the dynamic wetting behavior of nanodroplets on surfaces. Molecular dynamics simulations are performed to reveal the influence of the velocity of nanodroplets and the wetting state (Cassie and Wenzel) on the DCA and the energy dissipation on the contact line. The simulation results demonstrate a more complicated scenario of dynamic wetting than the static wetting: The increasing rate of advancing DCA is lower than the decreasing rate of the receding DCA with respect to the nanodroplet velocity. As for the Wenzel state, larger surface roughness increases the dynamic wetting hysteresis, while for Cassie nanodroplets, the larger surface roughness leads to smaller dynamic wetting hysteresis. It is found that a structural force exists on the rough surface. The energy dissipation of the dynamic wetting mainly comes from the motion of the contact line, which is positively correlated to the velocity and can be decomposed to the viscosity and friction dissipations, respectively. The Cassie state causes much lower energy dissipation than the Wenzel state. Furthermore, the quasi-static contact angle is proposed to describe the contact angle on a rough surface. These findings advance the understanding of dynamic wetting behavior and inspire theoretical guidance for the design of novel functional interfaces.

4.
Nano Lett ; 22(17): 6958-6963, 2022 09 14.
Artigo em Inglês | MEDLINE | ID: mdl-36037446

RESUMO

The kinetics of mass transfer in a stagnant fluid layer next to an interface govern numerous dynamic reactions in diffusional micro/nanopores, such as catalysis, fuel cells, and chemical separation. However, the effect of the interplay between stagnant liquid and flowing fluid on the micro/nanoscopic mass transfer dynamics remains poorly understood. Here, by using liquid cell transmission electron microscopy (TEM), we directly tracked microfluid unit migration at the nanoscale. By tracking the trajectories, an unexpected mass transfer phenomenon in which fluid units in the stagnant liquid layer migrated two orders faster during gas-liquid interface updating was identified. Molecular dynamics (MD) simulations indicated that the chemical potential difference between nanoscale liquid layers led to convective flow, which greatly enhanced mass transfer on the surface. Our study opens up a pathway toward research on mass transfer in the surface liquid layers at high spatial and temporal resolutions.


Assuntos
Nanoporos , Difusão , Cinética , Microfluídica , Microscopia Eletrônica de Transmissão
5.
Chemosphere ; 297: 134215, 2022 Jun.
Artigo em Inglês | MEDLINE | ID: mdl-35248597

RESUMO

In this work, a desulfurization method using natural amino acid salts (AAS), which can be green prepared by biological fermentation, is proposed to remove H2S from raw biogas. Biogas purification and fertilizer production can be simultaneously achieved to close sulfur recycle. The reaction kinetic characteristics of H2S absorption with three kinds of AAS, including potassium ß-alaninate (PA), potassium sarcosinate (PS) and potassium l-prolinate (PP) are first studied. Kinetic parameters including orders of reaction, rate constants, pre-exponential factors and activation energies are given. AAS absorbent exhibits good potential for biogas desulfurization. Higee (high gravity) technology is utilized to intensify H2S removal. The effects of operating conditions on H2S removal efficiency are investigated and PP shows the best desulfurization performance. The phytotoxicity of AAS and amino acid salt sulfide (AASS) is assessed by the germination index of mungbean seeds. PP and its salt sulfide (PPS) show relatively low phytotoxicity and their allowable agricultural feeding concentrations are below 0.08 M and 0.04 M, respectively. The desulfurization method demonstrates a green route for biogas purification to achieve sulfur recycle.


Assuntos
Biocombustíveis , Sulfeto de Hidrogênio , Aminoácidos , Reatores Biológicos , Sulfeto de Hidrogênio/química , Potássio , Sais , Sulfetos , Enxofre/metabolismo
6.
ACS Omega ; 7(1): 372-380, 2022 Jan 11.
Artigo em Inglês | MEDLINE | ID: mdl-35036707

RESUMO

In this work, an artificial neural network was first achieved and optimized for evaluating product distribution and studying the octane number of the sulfuric acid-catalyzed C4 alkylation process in the stirred tank and rotating packed bed. The feedstock compositions, operating conditions, and reactor types were considered as input parameters into the artificial neural network model. Algorithm, transfer function, and framework were investigated to select the optimal artificial neural network model. The optimal artificial neural network model was confirmed as a network topology of 10-20-30-5 with Bayesian Regularization backpropagation and tan-sigmoid transfer function. Research octane number and product distribution were specified as output parameters. The artificial neural network model was examined, and 5.8 × 10-4 training mean square error, 8.66 × 10-3 testing mean square error, and ±22% deviation were obtained. The correlation coefficient was 0.9997, and the standard deviation of error was 0.5592. Parameter analysis of the artificial neural network model was employed to investigate the influence of operating conditions on the research octane number and product distribution. It displays a bright prospect for evaluating complex systems with an artificial neural network model in different reactors.

7.
Engineering (Beijing) ; 6(10): 1115-1121, 2020 Oct.
Artigo em Inglês | MEDLINE | ID: mdl-32837748

RESUMO

Masks have become one of the most indispensable pieces of personal protective equipment and are important strategic products during the coronavirus disease 2019 (COVID-19) pandemic. Due to the huge mask demand-supply gap all over the world, the development of user-friendly technologies and methods is urgently needed to effectively extend the service time of masks. In this article, we report a very simple approach for the decontamination of masks for multiple reuse during the COVID-19 pandemic. Used masks were soaked in hot water at a temperature greater than 56 °C for 30 min, based on a recommended method to kill COVID-19 virus by the National Health Commission of the People's Republic of China. The masks were then dried using an ordinary household hair dryer to recharge the masks with electrostatic charge to recover their filtration function (the so-called "hot water decontamination + charge regeneration" method). Three kinds of typical masks (disposable medical masks, surgical masks, and KN95-grade masks) were treated and tested. The filtration efficiencies of the regenerated masks were almost maintained and met the requirements of the respective standards. These findings should have important implications for the reuse of polypropylene masks during the COVID-19 pandemic. The performance evolution of masks during human wear was further studied, and a company (Zhejiang Runtu Co., Ltd.) applied this method to enable their workers to extend the use of masks. Mask use at the company was reduced from one mask per day per person to one mask every three days per person, and 122 500 masks were saved during the period from 20 February to 30 March 2020. Furthermore, a new method for detection of faulty masks based on the penetrant inspection of fluorescent nanoparticles was established, which may provide scientific guidance and technical methods for the future development of reusable masks, structural optimization, and the formulation of comprehensive performance evaluation standards.

8.
Water Sci Technol ; 73(6): 1357-63, 2016.
Artigo em Inglês | MEDLINE | ID: mdl-27003076

RESUMO

This work employed a novel rotor-stator reactor (RSR) to intensify the degradation process of o-phenylenediamine (o-PDA) by ozone. The effects of different operating parameters including initial pH, temperature, rotation speed, liquid volumetric flow rate and inlet ozone concentration on the removal efficiency of o-PDA were investigated in an attempt to establish the optimum conditions. The removal efficiency was evaluated in terms of degradation ratio and chemical oxygen demand (COD) reduction ratio of the o-PDA wastewater. Results indicate that the removal efficiency decreased with increasing liquid volumetric flow rate but increased with an increase in pH and inlet ozone concentration. Also, the removal efficiency increased up to a certain level with an increase in rotation speed and temperature. Additionally, a comparison experiment was carried out in a stirred tank reactor (STR), and the results show that the degradation and COD reduction ratios reached a maximum of 94.6% and 61.2% in the RSR as compared to 45.3% and 28.6% in the STR, respectively. This work demonstrates that ozone oxidation carried out in RSR may be a promising alternative for pre-treatment of o-PDA wastewater.


Assuntos
Reatores Biológicos , Ozônio/química , Fenilenodiaminas/química , Eliminação de Resíduos Líquidos/métodos , Águas Residuárias/química , Poluentes Químicos da Água/química , Oxirredução
9.
J Nanosci Nanotechnol ; 11(6): 5154-8, 2011 Jun.
Artigo em Inglês | MEDLINE | ID: mdl-21770158

RESUMO

The continuous production of Cu nanoparticles with a particle size of 2-5 nm was conducted by sodium borohydride reduction of copper sulfate in aqueous solution in a tube-in-tube microchannel reactor (TMR), which consists of an inner tube and an outer tube with the reaction performed in the annular microchannel between these two tubes. The as-prepared Cu nanoparticles were compared with those obtained by a conventional batch synthesis process by using transmission electron microscopy (TEM), X-ray diffraction (XRD) and UV-vis spectroscopy. Due to the highly intensified micromixing effects in the TMR, Cu nanoparticles prepared by this route exhibits a smaller particle size, narrower size distribution and better stability in air. The TMR shows an excellent ability of preparing high-quality Cu nanoparticles in mild conditions. In addition, with the unique microchannel structure, the throughput capability of the TMR for the production of Cu nanoparticles is up to several liters per minute.

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