scholarly journals Nanoscale view of assisted ion transport across the liquid–liquid interface

2018 ◽  
Vol 116 (37) ◽  
pp. 18227-18232 ◽  
Author(s):  
Zhu Liang ◽  
Wei Bu ◽  
Karl J. Schweighofer ◽  
David J. Walwark ◽  
Jeffrey S. Harvey ◽  
...  
Keyword(s):  
Solvent Extraction ◽  
Ion Transport ◽  
Extraction Process ◽  
Liquid Interface ◽  
Rare Earth Ions ◽  
Interfacial Structure ◽  
Thermal Switch ◽  
The Stability ◽  
The Moment ◽  
Dynamics Simulations

During solvent extraction, amphiphilic extractants assist the transport of metal ions across the liquid–liquid interface between an aqueous ionic solution and an organic solvent. Investigations of the role of the interface in ion transport challenge our ability to probe fast molecular processes at liquid–liquid interfaces on nanometer-length scales. Recent development of a thermal switch for solvent extraction has addressed this challenge, which has led to the characterization by X-ray surface scattering of interfacial intermediate states in the extraction process. Here, we review and extend these earlier results. We find that trivalent rare earth ions, Y(III) and Er(III), combine with bis(hexadecyl) phosphoric acid (DHDP) extractants to form inverted bilayer structures at the interface; these appear to be condensed phases of small ion–extractant complexes. The stability of this unconventional interfacial structure is verified by molecular dynamics simulations. The ion–extractant complexes at the interface are an intermediate state in the extraction process, characterizing the moment at which ions have been transported across the aqueous–organic interface, but have not yet been dispersed in the organic phase. In contrast, divalent Sr(II) forms an ion–extractant complex with DHDP that leaves it exposed to the water phase; this result implies that a second process that transports Sr(II) across the interface has yet to be observed. Calculations demonstrate that the budding of reverse micelles formed from interfacial Sr(II) ion–extractant complexes could transport Sr(II) across the interface. Our results suggest a connection between the observed interfacial structures and the extraction mechanism, which ultimately affects the extraction selectivity and kinetics.

STUDIES OF SOLVENT EXTRACTION AND SUPPORTED LIQUID MEMBRANE WITH REACTIVE DYES FROM AQUEOUS SOLUTIONS USING ALIQUOT 336 AS CARRIER

2015 ◽  
Vol 1 (01) ◽  
pp. 54-60
Author(s):  
G Muthuraman
Keyword(s):  
Solvent Extraction ◽  
Liquid Membrane ◽  
Reactive Dyes ◽  
Extraction Process ◽  
Liquid Extraction ◽  
Supported Liquid Membrane ◽  
Liquid Liquid Extraction ◽  
Dye Transport ◽  
Stage Process ◽  
The Stability

The liquid-liquid extraction (LLE) and supported liquid membrane (SLM) studies of reactive dyes namely Gold Yellow (GYHE-R) and Reactive Green HE 4BD (RGHE-4BD) from aqueous solution using Aliquot 336 as the carrier has been investigated. Polytetrafluoroethylene (PTFE) membrane with 0.5 μm pore size has been used after impregnated with Aliquot 336 in dichloromethane. In liquid liquid extraction the following parameters had been optimized; pH of feed, diluent, carrier , strip and dye concentration and the same parameters have been applied to supported liquid membrane (SLM) study to transport dye from aqueous solution.The main advantages SLM study is; the extraction and stripping as single stage process and low consumption of carrier in the membrane phase compared to the solvent extraction process. The other parameters such as transport time, stirring speed and mechanism of dye transport has also studied by SLM. The percentage of transport of dye and flux rate increases with increasing time. The stability of membrane is satisfactory over 5 days.

scholarly journals Inferring the stabilization effects of SARS-CoV-2 variants on the binding with ACE2 receptor

2021 ◽  
Author(s):  
Mattia Miotto ◽  
Lorenzo Di Rienzo ◽  
Giorgio Gosti ◽  
Leonardo Bo ◽  
Giacomo Parisi ◽  
...  
Keyword(s):  
Control Systems ◽  
South African ◽  
Negative Control ◽  
Spike Protein ◽  
Special Focus ◽  
Wild Type ◽  
Shape Complementarity ◽  
The Stability ◽  
The Moment ◽  
Dynamics Simulations

With the progression of the SARS-CoV-2 (severe acute respiratory syndrome coronavirus 2) pandemic, several variants of the virus are emerging with mutations distributed all over the viral sequence. While most of them are expected to have little to no effects at the phenotype level, some of these variants presenting specific mutations on the Spike protein are rapidly spreading, making urgent the need of characterizing their effects on phenotype features like contagiousness and antigenicity. With this aim, we performed extensive molecular dynamics simulations on a selected set of possible Spike variants in order to assess the stabilizing effect of particular amino acid substitutions, with a special focus on the mutations that are both characteristic of the top three most worrying variants at the moment, i.e the English, South African and Amazonian ones, and that occur at the molecular interface between SARS-CoV-2 Spike protein and its human ACE2 receptor. We characterize these variants' effect in terms of (i) residues mobility, (ii) compactness, studying the network of interactions at the interface, and (iii) variation of shape complementarity via expanding the molecular surfaces in the Zernike basis. Overall, our analyses highlighted greater stability of the three variant complexes with respect to both the wild type and two negative control systems, especially for the English and Amazonian variants. In addition, in the three variants, we investigate the effects a not-yet observed mutation in position 501 could provoke on complex stability. We found that a phenylalanine mutation behaves similarly to the English variant and may cooperate in further increasing the stability of the South African one, hinting at the need for careful surveillance for the emergence of such kind of mutations in the population. Ultimately, we show that the observables we propose describe key features for the stability of the ACE2-spike complex and can help to monitor further possible spike variants.

scholarly journals Inferring the stabilization effects of SARS-CoV-2 variants on the binding with ACE2 receptor

2022 ◽  
Vol 5 (1) ◽  
Author(s):  
Mattia Miotto ◽  
Lorenzo Di Rienzo ◽  
Giorgio Gosti ◽  
Leonardo Bo’ ◽  
Giacomo Parisi ◽  
...  
Keyword(s):  
Control Systems ◽  
South African ◽  
Selective Advantage ◽  
Negative Control ◽  
Spike Protein ◽  
Wild Type ◽  
Shape Complementarity ◽  
The Stability ◽  
The Moment ◽  
Dynamics Simulations

AbstractAs the SARS-CoV-2 (severe acute respiratory syndrome coronavirus 2) pandemic continues to spread, several variants of the virus, with mutations distributed all over the viral genome, are emerging. While most of the variants present mutations having little to no effects at the phenotypic level, some of these variants are spreading at a rate that suggests they may present a selective advantage. In particular, these rapidly spreading variants present specific mutations on the spike protein. These observations call for an urgent need to characterize the effects of these variants’ mutations on phenotype features like contagiousness and antigenicity. With this aim, we performed molecular dynamics simulations on a selected set of possible spike variants in order to assess the stabilizing effect of particular amino acid substitutions on the molecular complex. We specifically focused on the mutations that are both characteristic of the top three most worrying variants at the moment, i.e the English, South African, and Amazonian ones, and that occur at the molecular interface between SARS-CoV-2 spike protein and its human ACE2 receptor. We characterize these variants’ effect in terms of (i) residue mobility, (ii) compactness, studying the network of interactions at the interface, and (iii) variation of shape complementarity via expanding the molecular surfaces in the Zernike basis. Overall, our analyses highlighted greater stability of the three variant complexes with respect to both the wild type and two negative control systems, especially for the English and Amazonian variants. In addition, in the three variants, we investigate the effects a not-yet observed mutation in position 501 could provoke on complex stability. We found that a phenylalanine mutation behaves similarly to the English variant and may cooperate in further increasing the stability of the South African one, hinting at the need for careful surveillance for the emergence of these mutations in the population. Ultimately, we show that the proposed observables describe key features for the stability of the ACE2-spike complex and can help to monitor further possible spike variants.

Synthesis and Characterization of a Chromo-Extractant to the Probe Liquid–Liquid Interface in a Solvent Extraction Process

2020 ◽  
Vol 124 (20) ◽  
pp. 10916-10923
Author(s):  
Jing Wang ◽  
Guilhem Arrachart ◽  
Fabrice Giusti ◽  
Gaelle Martin-Gassin ◽  
Pierre-Marie Gassin ◽  
...  
Keyword(s):  
Solvent Extraction ◽  
Extraction Process ◽  
Liquid Interface ◽  
Synthesis And Characterization

Physics Behind the Oscillation of Pressure Tensor Autocorrelation Function for Nanocolloidal Dispersions

2008 ◽  
Vol 8 (8) ◽  
pp. 3990-3994 ◽  
Author(s):  
Tao Wang ◽  
Xinwei Wang ◽  
Zhongyang Luo ◽  
Kefa Cen
Keyword(s):  
Particle Size ◽  
Autocorrelation Function ◽  
Stress Wave ◽  
Critical Role ◽  
Careful Analysis ◽  
Liquid Interface ◽  
Solid Particles ◽  
Pressure Tensor ◽  
The Stability ◽  
Dynamics Simulations

In this work, extensive equilibrium molecular dynamics simulations are conducted to explore the physics behind the oscillation of pressure tensor autocorrelation function (PTACF) for nanocolloidal dispersions, which leads to strong instability in viscosity calculation. By reducing the particle size and density, we find the intensity of the oscillation decreases while the frequency of the oscillation becomes higher. Careful analysis of the relationship between the oscillation and nanoparticle characteristics reveals that the stress wave scattering/reflection at the particle-liquid interface plays a critical role in PTACF oscillation while the Brownian motion/vibration of solid particles has little effect. Our modeling proves that it is practical to eliminate the PTACF oscillation through suppressing the acoustic mismatch at the solid-liquid interface by designing special nanoparticle materials. It is also found when the particle size is comparable with the wavelength of the stress wave, diffraction of stress wave happens at the interface. Such effect substantially reduces the PTACF oscillation and improves the stability of viscosity calculation.

The Role of Hydrophobicity in the Stability and pH-Switchability of (RXDX)4 and Coumarin-RXDX Conjugate β-Sheets

2020 ◽  
Author(s):  
Ryan Weber ◽  
Martin McCullagh
Keyword(s):  
Biological Imaging ◽  
Ph Sensing ◽  
Hydrophobic Residue ◽  
Ideal Candidate ◽  
Self Assembling ◽  
Sensing Applications ◽  
Β Sheets ◽  
The Stability ◽  
Dynamics Simulations

<p>pH-switchable, self-assembling materials are of interest in biological imaging and sensing applications. Here we propose that combining the pH-switchability of RXDX (X=Ala, Val, Leu, Ile, Phe) peptides and the optical properties of coumarin creates an ideal candidate for these materials. This suggestion is tested with a thorough set of all-atom molecular dynamics simulations. We first investigate the dependence of pH-switchabiliy on the identity of the hydrophobic residue, X, in the bare (RXDX)<sub>4</sub> systems. Increasing the hydrophobicity stabilizes the fiber which, in turn, reduces the pH-switchabilty of the system. This behavior is found to be somewhat transferable to systems in which a single hydrophobic residue is replaced with a coumarin containing amino acid. In this case, conjugates with X=Ala are found to be unstable and both pHs while conjugates with X=Val, Leu, Ile and Phe are found to form stable β-sheets at least at neutral pH. The (RFDF)<sub>4</sub>-coumarin conjugate is found to have the largest relative entropy value of 0.884 +/- 0.001 between neutral and acidic coumarin ordering distributions. Thus, we posit that coumarin-(RFDF)<sub>4</sub> containing peptide sequences are ideal candidates for pH-sensing bioelectronic materials.</p>

scholarly journals Study on the Effect and Mechanism of Impurity Aluminum on the Solvent Extraction of Rare Earth Elements (Nd, Pr, La) by P204-P350 in Chloride Solution

Minerals ◽  
2021 ◽  
Vol 11 (1) ◽  
pp. 61
Author(s):  
Wenjie Zhang ◽  
Xian Xie ◽  
Xiong Tong ◽  
Yunpeng Du ◽  
Qiang Song ◽  
...  
Keyword(s):  
Rare Earth ◽  
Solvent Extraction ◽  
Rare Earth Elements ◽  
Organic Phase ◽  
Extraction Process ◽  
Industrial Applications ◽  
Separation And Purification ◽  
Aluminum Ion ◽  
Hydrochloric Acid Medium ◽  
Impurity Ion

Solvent extraction is the most widely used method for separation and purification of rare earth elements, and organic extractants such as di(2-ethylhexyl) phosphoric acid (P204) and di(1-methyl-heptyl) methyl phosphonate (P350) are most commonly used for industrial applications. However, the presence of impurity ions in the feed liquid during extraction can easily emulsify the extractant and affect the quality of rare earth products. Aluminum ion is the most common impurity ion in the feed liquid, and it is an important cause of emulsification of the extractant. In this study, the influence of aluminum ion was investigated on the extraction of light rare earth elements by the P204-P350 system in hydrochloric acid medium. The results show that Al3+ competes with light rare earths in the extraction process, reducing the overall extraction rate. In addition, the Al3+ stripping rate is low and there is continuous accumulation of Al3+ in the organic phase during the stripping process, affecting the extraction efficiency and even causing emulsification. The slope method and infrared detection were utilized to explore the formation of an extraction compound of Al3+ and the extractant P204-P350 that entered the organic phase as AlCl[(HA)2]2P350(o).

scholarly journals Separation of Sn, Sb, Bi, and Cu from Tin Anode Slime by Solvent Extraction and Chemical Precipitation

Metals ◽  
2021 ◽  
Vol 11 (3) ◽  
pp. 515
Author(s):  
Wei-Sheng Chen ◽  
Shota Mesaki ◽  
Cheng-Han Lee
Keyword(s):  
Solvent Extraction ◽  
Liquid Phase ◽  
Ph Value ◽  
Chemical Precipitation ◽  
Extraction Process ◽  
Refining Process ◽  
Anode Slime ◽  
Electrolytic Refining ◽  
Precipitation Procedure ◽  
Tin Anode

Tin anode slime is a by-product of the tin electrolytic refining process. This study investigated a route to separate Sn, Sb, Bi, and Cu from tin anode slime after leaching with hydrochloric acid. In the solvent extraction process with tributyl phosphate, Sb and Sn were extracted into the organic phase. Bi and Cu were unextracted and remained in the liquid phase. In the stripping experiment, Sb and Sn were stripped and separated with HCl and HNO3. Bi and Cu in the aqueous phase were also separated with chemical precipitation procedure by controlling pH value. The purities of Sn, Sb, Cu solution and the Bi-containing solid were 96.25%, 83.65%, 97.51%, and 92.1%. The recovery rates of Sn, Sb, Cu, and Bi were 76.2%, 67.1%, and 96.2% and 92.4%.

Facile fractionation of bamboo hydrolysate and characterization of isolated lignin and lignin-carbohydrate complexes

Holzforschung ◽  
2020 ◽  
Vol 0 (0) ◽  
Author(s):  
Xiaodi Wang ◽  
Yongchao Zhang ◽  
Luyao Wang ◽  
Xiaoju Wang ◽  
Qingxi Hou ◽  
...  
Keyword(s):  
Solvent Extraction ◽  
Organic Solvent ◽  
Extraction Process ◽  
Water Soluble ◽  
Organic Solvent Extraction ◽  
Glycoside Linkage ◽  
Potential Applications ◽  
Tremendous Amount ◽  
Main Components ◽  
Hemicellulosic Sugars

AbstractAn efficient separation technology for hydrolysates towards a full valorization of bamboo is still a tough challenge, especially regarding the lignin and lignin-carbohydrate complexes (LCCs). The present study aimed to develop a facile approach using organic solvent extraction for efficiently fractionating the main components of bamboo hydrolysates. The high-purity lignin with only a trace of carbohydrates was first obtained by precipitation of the bamboo hydrolysate. The water-soluble lignin (WSL) fraction was extracted in organic solvent through a three-stage organic solvent extraction process, and the hemicellulosic sugars with increased purity were also collected. Furthermore, a thorough characterization including various NMR techniques (31P, 13C, and 2D-HSQC), GPC, and GC-MS was conducted to the obtained lignin-rich-fractions. It was found that the WSL fraction contained abundant functional groups and tremendous amount of LCC structures. As compared to native LCC of bamboo, the WSL fraction exhibited more typical LCC linkages, i.e. phenyl glycoside linkage, which is the main type of chemical linkage between lignin and carbohydrate in both LCC samples. The results demonstrate that organic phase extraction is a highly efficient protocol for the fractionation of hydrolysate and the isolation of LCC-rich streams possessing great potential applications.

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