• Title/Summary/Keyword: molecular adsorption

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The Preparation of D-Phenylalanine Imprinted Microbeads by a Novel Method of Modified Suspension Polymerization

  • Khan, Hamayun;Park, Joong-Kon
    • Biotechnology and Bioprocess Engineering:BBE
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    • v.11 no.6
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    • pp.503-509
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    • 2006
  • Molecularly imprinted polymeric microbeads (MIPMs) were prepared by the suspension and modified suspension polymerization methods using D-phenylalanine as the template, methacrylic acid as the functional monomer, ethylene glycol dimethacrylate as the cross-linker, toluene as the porogen, polyvinyl alcohol as the stabilizer, and sodium dodecyl sulfate as the surfactant. The addition of a surfactant to the conventional suspension polymerization mixture decreased the mean particle size of the MIPMs and increased the adsorption selectivity. For the modified suspension polymerization method, the mean particle size of the MIPMs was smaller than the particle size of MIPMs prepared via conventional suspension polymerization. Moreover, the adsorption selectivity improved considerably compared to the adsorption selectivities of MIPs reported previously.

The Adsorption of Methanethiol and Benzenethiol on Silver Surfaces

  • Lee, Gyeong Hun;Park, Sang Hyeon;Kim, Ho Jing
    • Bulletin of the Korean Chemical Society
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    • v.16 no.2
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    • pp.89-95
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    • 1995
  • The adsorption of methanethiol and benzenethiol on Ag(111) and Ag(100) surfaces is studied respectively, employing ASED (Atom Superposition and Electron Delocalization) method. Metal surfaces are modelled by 3-layer clusters. The corresponding thiolate anions are taken as adsorbates. The highly coordinated binding sites are most favored for both surfaces. The tilted angles of C-S axis from the surface normal are nearly zero. There's Charge transfer from adsorbate to substrate and the stretching frequency of C-S bond upon adsorption is blue-shifted from its gas phase counterpart, and its amount is the smallest at most highly coordinated site. FMO (Fragment Molecular Orbital) analysis of the system give the explanation for these results.

The Adsorption Energetics and Geometry of Ketene Physisorbed on Ag(111)$^*$

  • Kim, Jeong Su;Dae, Hye Ryeong
    • Bulletin of the Korean Chemical Society
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    • v.16 no.2
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    • pp.143-148
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    • 1995
  • Ketene (CH2CO) adsorption on Ag(111) has been studied in ultrahigh vacuum using electron energy loss spectroscopy and temperature programmed desorption. Ketene adsorbs molecularly on Ag(111) at temperatures below 126 K. The coverage increases linearly with exposure until saturation. No multilayer formation and no shift in desorption temperature with coverage were observed, indicating a lack of attractive interaction between adsorbate molecules. The desorption activation energy is estimated to be 7.8 kcal/mol by assuming first order kinetics and a pre-exponential factor of 1013 sec-1. The adsorption geometry of ketene on the surface is determined from the relative intensities of the vibrational energy loss peaks. The CCO axis of CH2CO is found to be almost parallel to (∼4°away from) the surface and the molecular plane is almost perpendicular to the surface (∼3°tilt).

A Kinetic Study on the Adsorptionof Compact, Water-soluble Proteins onto Aqueous Surfaces

  • 조태철;Michel A. Cornec
    • Bulletin of the Korean Chemical Society
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    • v.20 no.9
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    • pp.999-1004
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    • 1999
  • Two compact sized globular proteins, β-lactoglobulin and α-lactalbumin were kinetically characterized at the aqueous solution surface with the measurement of surface pressure (π) and surface concentration (Γ) via a radiotracer method. The adsorption kinetics was of diffusion control at early times, the rates of increase of πand Γ being lower at longer times due to growing energy barrier. At low concentrations, an apparent time lag was observed in the evolution of π for β-lactoglobulin but not for α-lactalbumin which was shown to be due to the non-linear nature of the p- G relationship for the former. The area per molecule of an adsorbed β-lactoglobulin during adsorption was smaller than that for spread monolayer since β-lactoglobulin was not fully unfolded during the adsorption. For α-lactalbumin, however, no such difference in the molecular areas for adsorbed and spread monolayer was observed indicating thereby that α-lactalbumin unfolded much more rapidly (has looser tertiary structure) than β-lactoglobulin. Surface excess concentrations of α-lactalbumin was found to evolve in two steps possibly due to the change in the orientation of the adsorbed protein from a side-on to an end-on orientation.

Zeolites: Their Features as Pressure Swing Adsorbents and CO2 Adsorption Capacity (제올라이트: 압력순환형 흡착제로서의 특성과 CO2 흡착성능)

  • Kim, Moon-Hyeon;Cho, Il-Hum;Choi, Sang-Ok;Choo, Soo-Tae
    • Journal of Environmental Science International
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    • v.23 no.5
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    • pp.943-962
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    • 2014
  • Industrial gas drying, dilute gas mixtures purification, air fractionation, hydrogen production from steam reformers and petroleum refinery off-gases, etc are conducted by using adsorptive separation technology. The pressure swing adsorption (PSA) has certain advantages over the other methods, such as absorption and membrane, that are a low energy requirement and cost-effectiveness. A key component of PSA systems is adsorbents that should be highly selective to a gas being separated from its mixture streams and have isotherms suitable for the operation principle. The six standard types of isotherms have been examined in this review, and among them the best behavior in the adsorption of $CO_2$ as a function of pressure was proposed in aspects of maximizing a working capacity upon excursion between adsorption and desorption cycles. Zeolites and molecular sieves are historically typical adsorbents for such PSA applications in gas and related industries, and their physicochemical features, e.g., framework, channel structure, pore size, Si-to-Al ratio (SAR), and specific surface area, are strongly associated with the extent of $CO_2$ adsorption at given conditions and those points have been extensively described with literature data. A great body of data of $CO_2$ adsorption on the nanoporous zeolitic materials have been collected according to pressure ranges adsorbed, and these isotherms have been discussed to get an insight into a better $CO_2$ adsorbent for PSA processes.

Adsorption of MX (3-chloro-4 (dichloromethyl)-5-hydroxy-2-(5H)-furanone) on amphiphilic mesoporous silica in aqueous solution (양쪽성 메조 포러스 실리카에 의한 수용액 속의 MX의 흡착)

  • Yoo, Eun-Ah;Chung, Kang-Sup
    • Analytical Science and Technology
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    • v.24 no.2
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    • pp.94-104
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    • 2011
  • Mesoporous silica was synthesized in a water solvent and in an ethanol solvent with the non and cationic cetyltrimethyl ammonium chloride (CTAC) by varying the amount of the amphiphilic acrylic urethane oligomer (AAU) and the pH of the solution. The adsorption of the MX (3-chloro-4 (dichloromethyl)-5-hydroxy-2-(5H)-furanone) in drinking water was studied using the synthesized mesoporous silica as an adsorbent. The most appropriate silica was synthesized in acidic conditions in the water solvent and in alkali conditions in the ethanol solvent. The average pore sizes of the synthesized mesosilica were 3 nm and more. The mesoporous silica synthesized by the addition of the AAU oligomer showed excellent adsorption characteristics. With respect to the co-surfactant, the best adsorption characteristics were obtained when the P64,a non-ionic surfactant with a high molecular weight, was used to synthesize the silica than when other co-surfactants were used. The adsorption rate decreased as the MX concentration in the water increased. Different adsorption equilibrium conditions were reached depending on the adsorbate MX concentration in the adsorbent and the solution. It was seen that perfect adsorption does not occur due to such equilibrium conditions.

Adsorption Mechanism of Solid Acid in Nonaqueous Solution (固體酸의 非水溶液에서의 吸着메카니즘에 관한 硏究)

  • Kwun, Oh-Cheun
    • Journal of the Korean Chemical Society
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    • v.9 no.4
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    • pp.185-189
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    • 1965
  • Korean acid clays and silica gel were put into action on benzene solution of dye, such as aniline yellow, o-nitro aniline and oil orange, and then the adsorptivity of dye in nonaqueous solution was measured, with the result that adsorptivity was greater with silica than acid clays and it had no relation to acidity. And when chemical compounds, such as amine, alcohol, halogen derivative, were added to each dye solution by 10%(in volume), the change of the adsorptivity of dye by solid acid(that is, the interfered adsorption rate) decreased in order of amine > alcohol > halogen derivative, and in homologue the smaller the molecular weight, the larger was the effect. So adsorption in nonaqueous solution was a selective adsorption of chemical compounds which contained negative groups such as amine and hydroxyl radicals, and it had no relation to surface tension and showed inverted phenomenon of Traube series. It is guessed that the inverted phenomenon (the interfered adsorption phenomenon) was due to the polar chemical adsorption between active $SiO_2$ which was an origin of solid acid and the adsorbed substances, considering that the order of inversion was nearly in accord with dipole moment of added solvents. The results of this study led to find adsorption mechanism and inverted phenomenon of Traube series in nonaqueous solution.

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Targeting of integrin αvβ3 with different sequence of RGD peptides: A molecular dynamics simulation study

  • Azadeh Kordzadeh;Hassan Bardania;Esmaeil Behmard;Amin Hadi
    • Advances in nano research
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    • v.15 no.2
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    • pp.105-111
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    • 2023
  • Integrin αvβ3 is one of the receptors expressed in cancer cells. RGD peptides have the potential to target integrin αvβ3 (receptor), which can increase drug delivery efficiency. In this study, 55 different RGD dimer motifs were investigated. At first, the binding energy between RGD peptides and the receptor was calculated using molecular docking. Then, three RGD peptides with the strongest binding energy with the receptor were selected, and their dynamic adsorption on the receptor was simulated by molecular dynamics (MD). The obtained results showed that a sequence that has RGD at the beginning and end with tryptophan (TRP) has strong Lennard-Jones (LJ) and electrostatic interactions with Integrin αvβ3 and has changed the conformation of receptor significantly, which analyzed by root mean square deviation (RMSD) and radius of gyration.

Adsorption of Mercury(II) Chloride and Carbon Dioxide on Graphene/Calcium Oxide (0 0 1)

  • Mananghaya, Michael;Yu, Dennis;Santos, Gil Nonato;Rodulfo, Emmanuel
    • Korean Journal of Materials Research
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    • v.26 no.6
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    • pp.298-305
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    • 2016
  • In this work, recent progress on graphene/metal oxide composites as advanced materials for $HgCl_2$ and $CO_2$ capture was investigated. Density Functional Theory calculations were used to understand the effects of temperature on the adsorption ability of $HgCl_2$ and water vapor on $CO_2$ adsorption on CaO (001) with reinforced carbon-based nanostructures using B3LYP functional. Understanding the mechanism by which mercury and $CO_2$ adsorb on graphene/CaO (g-CaO) is crucial to the design and fabrication of effective capture technologies. The results obtained from the optimized geometries and frequencies of the proposed cluster site structures predicted that with respect to molecular binding the system possesses unusually large $HgCl_2$ ($0.1-0.4HgCl_2g/g$ sorbent) and $CO_2$ ($0.2-0.6CO_2g/g$ sorbent) uptake capacities. The $HgCl_2$ and $CO_2$ were found to be stable on the surface as a result of the topology and a strong interaction with the g-CaO system; these results strongly suggest the potential of CaO-doped carbon materials for $HgCl_2$ and $CO_2$ capture applications, the functional gives reliable answers compared to available experimental data.