• Membrane Journal
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• v.31 no.2
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• pp.145-152
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• 2021

While there are increasing demands on biomolecules separation, resin chromatography lacks in terms of throughput and membrane chromatography is an alternative with high binding capacity and enhanced mass transfer properties. Unlike typical membrane processing, where the performance can only be empirically assessed, understanding how mechanisms work in membrane chromatography is decisive to design biospecific processing. This short review covers three separation mechanisms, including affinity interaction modes for selectively capturing bulk molecules using biospecific sites, ion exchange modes for binding biomolecules using net charges and hydrophobic interaction modes for binding targeted, hydrophobic species. The parameters in designing membrane chromatography that should be considered operation-wise or material-wise, are also further detailed in this paper.

• Journal of the Korean Ceramic Society
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• v.49 no.5
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• pp.412-416
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• 2012

Porous SiC ceramics were prepared by using recycled SiC sludge, which is an industrial waste generated from solar cell industry. Polycarbosilane derivatives, such as polycarbosilane (PCS), polyphenylcarbosilane (PPCS) and hydridopolycarbosilane (HPCS) were used as binding agents for the fabrication of porous SiC ceramics at $1800^{\circ}C$ under Ar atmosphere. The effects of the various binding agents having different C/Si ratios were discussed on the sintering and porosity of the SiC ceramics. The prepared porous SiC ceramics were characterized by X-ray Diffraction (XRD) and Field-Emission Scanning Electron Microscope (FE-SEM). Thermal conductivity and porosity of SiC ceramics were measured at room temperature, and they were 56.7W/mK and 29.8%, respectively.

• Bulletin of the Korean Chemical Society
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• v.33 no.8
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• pp.2669-2674
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• 2012

Crown ether is one of well-known host molecules and able to selectively sequester metal cation. We employed M06-2X density functional theory with IEFPCM and SMD continuum solvation models to study selectivity of dibenzo-18-crown-6-ether (DB18C6) for alkaline earth dications, $Ba^{2+}$, $Sr^{2+}$, $Ca^{2+}$, and $Mg^{2+}$ in the gas phase and in aqueous solution. $Mg^{2+}$ showed predominantly strong binding affinity in the gas phase because of strong polarization of CO bonds by cation. In aqueous solution, binding free energy differences became smaller among these dications. However, $Mg^{2+}$ had the best binding, being incompatible with experimental observations in aqueous solution. The enthalpies of the dication exchange reaction between DB18C6 and water cluster molecules were computed as another estimation of selectivity in aqueous solution. These results also demonstrated that $Mg^{2+}$ bound to DB18C6 better than $Ba^{2+}$. We speculated that the species determining selectivity in water could be 2:1 complexes of two DB18C6s and one dication.

• Asian Pacific Journal of Cancer Prevention
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• v.15 no.8
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• pp.3601-3606
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• 2014

Single nucleotide polymorphisms located at microRNA (miRNA)-binding sites are likely to affect the expression of miRNA targets and may contribute to the susceptibility of humans to common diseases. Here 335 candidate lung cancer-related inflammatory genes were selected according to the existing literature and database. We identified putative miRNA-binding sites of 149 genes by specialised algorithms and screened SNPs in the 3'UTRs of these genes. By calculating binding free energy, we sorted 269 SNPs on the basis of the possibility of prediction. The proposed approach could help to easy the identification of functionally relevant SNPs and minimize the workflow and the costs.

• Journal of the Korean Magnetic Resonance Society
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• v.10 no.2
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• pp.163-174
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• 2006

Luteinizing Hormone Releasing Hormone(LHRH) is a decapeptide neurotransmitter known to be regulated by metal ions in the hyperthalamus. Zn-binding LHRH complex was systhesized, and zinc-LHRH complex was studied to understand what kinds of structural modifications would be critical in the LHRH releasing mechanism. Both nonexchangeable and exchangeable $^1H-NMR$ signal assignments were accomplished by pH-dependent and COSY NMR experiments. In addition, $^1H-NMR$ chemical shift changes of a-proton and peptide NH NMR signals at different pH condition, and $^1H-NMR$ signal differences between metal free and metallo-LHRH complex was monitored. NMR signals exhibit that primary metal-binding sites are nitrogens donor of imidazole ring and Arg, and peptide oxygen of Pro-His in the sequence. Structure obtained in this study has a cyclic conformation which is similar to that of energy minimized, and exhibits a specific a-helical turn with residue numbers $(2{\sim}7)$ out of 10 amino acids.

• Journal of the Korean Chemical Society
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• v.23 no.6
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• pp.374-384
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• 1979

Hydration scheme and hydration energy are determined in ${\alpha}$ cage of zeolite NaA. The selectivity between Na(1) and Na(2) is determined from energy calculation. The waters in ${\alpha}$ cage form a distorted dodecahedral cage. The average binding energies of water(1), water(2) and water(3) are -29.847, -25.344 and -15.888 kcal/mole respectively. The positions of oxygens of hydrated waters are in good agreement with the X-ray data. The heat of immersion curve is also obtained. This result is in good agreement with the differential heat of sorption curve obtained from differential thermal analysis. It is concluded that theoretical method provides considerable uses in the determination and understanding of the hydration and interaction energy of zeolites sorbate binding.

• Journal of the Korea Convergence Society
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• v.2 no.3
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• pp.1-6
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• 2011

Aluminum foam is one of the representative light-weight materials. In this study we analyzed the mechanical properties of the aluminum foam structures. Aluminum materials with pores have novel mechanical characteristics such as flame retardancy, damping, and energy absorption which are superior to those of polymer foam. Furthermore its reusable properties draw considerable interests. General properties, energy and acoustic absorption will be investigated and future research issues such as binding techniques of foam materials with other structures will be discussed through foam application examples.

• Korean Journal of Materials Research
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• v.18 no.6
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• pp.313-317
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• 2008

[ $LaFeO_3$ ] powders were synthesized using a method involving solution combustion, and the surface properties of these powders were examined by x-ray photoelectron spectroscopy. As the amount of fuel increased during the synthesis, the $LaFeO_3$ powders became amorphous with a large plate-like shape. It was found that the O 1s spectra were composed of two types of photoelectrons by deconvolutioning the spectra. Photoelectrons with higher binding energy come from adsorbed oxygen ($O^-$) whereas those with lower energy come from lattice oxygen ($O^{2-}$). The ratio of adsorbed and lattice oxygen increased as the ratio of the fuel and nitrate (${\Phi}$) increased. The binding energy of both types of oxygen increased as ${\Phi}$ increased due to the formation of carbonates.

• Journal of Integrative Natural Science
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• v.9 no.3
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• pp.166-170
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• 2016

Collagen plays a vital role in the maintenance of structure and function of a human body. It has been widely applied in various fields including biomedical, cosmeceutical, food, pharmaceutical and tissue engineering. In the present study, the docking behaviour of type I collagen with 15 different ligands namely hydroxymethylfurfural, methylglyoxal, methylsyringate, O-methoxyacetophenone, 3-phenyllactic acid, 4-hydroxybenzoic acid, kojic acid, lumichrome, galangin, artoindonesianin F, caffeic acid, 4-coumaric acid, origanol A, thymoquinone and quercetin was evaluated along with their putative binding sites using Discovery Studio Version 3.1. Docking studies and binding free energy calculations revealed that origanol A has maximum interaction energy (-40.48 kcal/mol) and quercetin with the least interaction energy (-15.44 kcal/mol) as compared to the other investigated ligands. Three ligands which are galangin, methylsyringate and origanol A were shown to interact with Asp21 amino acid residue of chain B (type I collagen). Therefore, it is strongly suggested that the outcomes from the present study might provide new insight in understanding these 15 ligands as potential type I collagen modulators for the prevention of collagen associate disorders.

• Journal of the Korean Chemical Society
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• v.59 no.2
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• pp.117-124
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• 2015

The DFT and ab initio calculations have been performed to elucidate hydrogen interaction of hydrogen polyoxide dimers, $H_2O_n-H_2O_m$ (n=1-4, m=1-4). The optimized geometries, harmonic vibrational frequencies, and binding energies are predicted at various levels of theory. The harmonic vibrational frequencies of the molecules considered in this study show all real numbers implying true minima. The higher-order correlation effect were discussed to compare MP2 result with CCSD(T) single point energy. The binding energies were corrected for the zero-point vibrational energy (ZPVE) and basis set superposition errors (BSSE). The largest binding energy predicted at the CCSD(T)/cc-pVTZ level of theory is 8.18 kcal/mol for $H_2O_4-H_2O_3$ and the binding energy of water dimer is predicted to be 3.00 kcal/mol.