• Advances in nano research
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• v.2 no.2
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• pp.89-98
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• 2014

A novel and simple method for the synthesis of nano-magnetite particles is disclosed. In the novel procedure, $Fe^{2+}$ is the only source of metal cation. Carboxymethylcellulose (CMC) is used as the structure directing agent. The phase analysis of the nano-particles was performed using XRD and electron diffraction techniques. Size and morphology analysis was performed using light scattering and TEM techniques. The effect of $NH_4OH$ solution (32 wt. %) at different CMC concentrations on the size distribution of the final magnetite powders is studied. An optimal base concentration exists for each CMC concentration leading to minimal agglomeration. There exists a minimum CMC concentration (0.0016 wt. %), lower than that no magnetite forms. It is shown that using the new method, it is possible to immobilize a lipase enzyme (Candida Rugosa) with immobilization efficiency larger than 98 % with a loading more than 3 times the reported value in the literature. The latter phenomenon is explained based on the agglomerate state of the nano-particles in the liquid phase.

• Bulletin of the Korean Chemical Society
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• v.25 no.1
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• pp.63-68
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• 2004

Sugar-based gelator p-dodecanoyl-aminophenyl- ${\beta}$-D-aldopyranosides (1-3) have been shown to self-assemble in the presence of p-aminophenyl aldopyranosides. The hydrogel 1+4 showed the double-helical structure with 3-25 nm outer diameters, which is quite different from that of 1. The gel 2+5 revealed twisted ribbon structure with 30-50 nm in widths and a few micrometers of length whereas the gel 3+4 revealed the single and the bundled fiber structures. The difference in these gel supramolecular structures has successfully been transcribed into silica structures by sol-gel polymerization of tetraethoxysilane (TEOS), resulting in the doublehelical, the twisted-ribbon, the single and the multiple (lotus-shaped) hollow fiber structures. These results indicate that novel silica structures can be created by transcription of various superstructures formed in binary gels through the hydrogen-bonding interaction, and the amino group of the p-aminophenyl aldopyranosides acts as an efficient driving force to create novel silica nanotubes. Furthermore, electron energy-loss spectroscopy (ELLS) provided strong evidence for the inner hollow structure of the double-helical silica nanotube. This is a novel and successful example that a variety of new silica structures can be created using a library of carbohydrate gel fibers as their templates.

• Bulletin of the Korean Chemical Society
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• v.33 no.8
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• pp.2603-2608
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• 2012

A novel mononuclear supramolecule of copper(II) has been synthesized with Ippyt ligand (Ippyt=3-(4'-imidazole phenyl)-5-(pyrid-2''-yl)-1,2,4-triazole) (1). Compound 1, namely [$Cu(Ippyt)_2(H_2O)_2$], has been characterized by single-crystal X-ray diffraction, IR spectrum, elemental analysis and thermogravimetric analysis. Structure determination reveals that the elongated-octahedral geometry is formed in the vicinity of the copper (II) atom being coordinated by four nitrogen atoms from two Ippyt ligands occupying the equatorial position and two oxygen atoms from two coordinated water molecules in the axial position, which together form the $N_4O_2$ donor set. Hydrogen bonding interactions between nitrogen and oxygen atoms result in the set up of a supramolecular network architecture. Biological properties including antibacterial activity and superoxide dismutase (SOD) mimetic activity of compound 1 have been investigated by agar diffusion method and the modified Marklund method, respectively. The results indicate that compound 1 exhibits a stronger antibacterial efficiency than the parent ligand and it also has a certain radical-scavenging activity.

• Macromolecular Research
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• v.14 no.4
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• pp.443-448
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• 2006

A novel ${\beta}$-cyclodextrin derivative (CCD-C) was synthesized with chitosan and carboxymethyl-${\beta}$-cyclodextrin. Its structure was characterized by elemental analysis, infrared spectra analysis, and X-ray diffraction analysis. The adsorption properties for guanosine 5'-monophosphate, cytidine 5'-monophosphate and uridine 5'-monophosphate were studied. Experimental results demonstrated that CCD-C had higher adsorption capability for guanosine 5'-monophosphate, and that the adsorption capacity for guanosine 5'-monophosphate was 74.20mg/g. The adsorption capacity was greatly influenced by pH, time and temperature. The introduction of chitosan enhanced the adsorption ability and adsorption selectivity of ${\beta}$-cyclodextrin for guanosine 5'-monophosphate. This novel derivative of chitosan is expected to have wide applications in the separation, concentration and analysis of nucleotides in biological samples.

• Bulletin of the Korean Chemical Society
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• v.23 no.7
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• pp.1003-1010
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• 2002

Caspase 3, a member of cysteine protease family, is well known as a major apoptosis effector and is involved in cell death as a result of ischemic diseases such as stroke and myocardial infarction, therefore the inhibition of caspase 3 may protect those apoptotic cell damages. During the high-throughput screening of the compounds from the Korea Chemical Bank, berberine derivatives (A and B), an isoquinoline alkaloid, have been identified as potential inhibitors for caspase 3. Based on this finding we carried out molecular modeling study to identify the pharmacophoric elements of berberine structure which interact with a substrate-recognition binding site of caspase 3 and came up with several novel scaffolds. In this report, we will discuss the molecular modeling, syntheses and the enzyme inhibitory activities of these novel compounds.

• Bulletin of the Korean Chemical Society
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• v.35 no.4
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• pp.1043-1049
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• 2014

Density functional theory (DFT) calculations at the B3LYP/6-31G(d,p) theoretical level were performed for two novel explosives (compounds B and C) based on the guanidine-fused bicyclic skeleton $C_4N_6H_8$ (A). The heats of formation (HOFs) were calculated via isodesmic reaction. The detonation properties were evaluated by using the Kamlet-Jacobs equations. The bond dissociation energies (BDEs) for the thermolysis initiation bond were also analyzed to investigate the thermal stability. The results show that the compounds have high positive HOF values (B, 1064.68 $kJ{\cdot}mol^{-1}$; C, 724.02 $kJ{\cdot}mol^{-1}$), high detonation properties (${\rho}$, D and P values of 2.04 $g{\cdot}cm^{-3}$ and 2.21 $g{\cdot}cm^{-3}$, 9.98 $km{\cdot}s^{-1}$ and 10.99 $km{\cdot}s^{-1}$, 46.44 GPa and 59.91 Gpa, respectively) and meet the basic stability requirement. Additionally, feasible synthetic routes of the these high energy density compounds (HEDCs) were also proposed via retrosynthetic analysis.

• Bulletin of the Korean Chemical Society
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• v.30 no.11
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• pp.2643-2646
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• 2009

In this study, a novel phosphorus-containing flame retardant copolymer of spirocyclic pentaerythritol di(phosphate monochloride) and bisphenol S (SPD-BS) was successfully synthesized and used as a flame retardant in diglycidyl ether of bisphenol A (DGEBA) epoxy resins. The chemical structure of the SPD-BS was characterized using FT-IR and $^1H$ NMR spectra. The thermal properties were investigated by differential scanning calorimetry (DSC) and thermogravimetric analysis (TGA). The effects of SPD-BS and nano-$CaCO_3$ on the flame-retardant properties of DGEBA/SPD-BS systems were evaluated by measurement of the burning rate. As a result, the thermal stabilities of the DGEBA/SPD-BS systems were decreased with increasing SPD-BS content. The flame-retardant properties and char yields of the systems were significantly increased when SPD-BS content increased. The synergism of nano-$CaCO_3$ incorporation on flame retardancy was found for the DGEBA/SPD-BS systems.

• Bulletin of the Korean Chemical Society
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• v.31 no.12
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• pp.3740-3744
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• 2010

A typically designed 'Peptide Lego' has two distinct surfaces: a hydrophilic side that contains the complete charge distribution and a hydrophobic side. In this article, we describe the fabrication of a unique lego-type peptide with the AEAEYAKAK sequence. The novel peptide with double amphiphilic surfaces is different from typical peptides due to special arrangement of the residues. The results of CD, FT-IR, AFM and DLS demonstrate that the peptide with the random coil characteristic was able to form stable nanostructures that were mediated by non-covalent interactions in an aqueous solution. The data further indicated that despite its different structure, the peptide was able to undergo self-assembly similar to a typical peptide. In addition, the use of hydrophobic pyrene as a model allowed the peptide to provide a new type of potential nanomaterial for drug delivery. These efforts collectively open up a new direction in the fabrication of nanomaterials that are more perfect and versatile.

• Bulletin of the Korean Chemical Society
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• v.35 no.12
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• pp.3495-3501
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• 2014

A novel crystal, the mono-protonated metformin acetate (1), was obtained and characterized by elemental analysis, IR spectroscopy and X-ray crystallography. It was found that one of the imino group in the metformin cation was protonated along with the proton transfer from the secondary amino group to the other imino group. Its crystal structure was then compared with the previously reported diprotonated metformin oxalate (2). The difference between them is that the mono-protonated metformin cations can be linked by hydrogen bonding to form dimers while the diprotonated metformin cations cannot. Both of them are stabilized by intermolecular hydrogen bonds to assemble a 3-D supermolecular structure. The four potential tautomer of the mono-protonated metformin cation (tautomers 1a, 1b, 1c and 1d) were optimized and their single point energies were calculated by Density Functional Theory (DFT) B3LYP method based on the Polarized Continuum Model (PCM) in water, which shows that the most likely existed tautomer in human cells is the same in the crystal structure. Based on the optimized structure, their Wiberg bond orders, Natural Population Analysis (NPA) atomic charges, molecular electrostatic potential (MEP) maps were calculated to analyze their electronic structures, which were then compared with the corresponding values of the diprotonated metformin cation (cation 2) and the neutral metformin (compound 3). Finally, the possible tautomeric mechanism of the mono-protonated metformin cation was discussed based on the observed phenomena.

• Carbon letters
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• v.12 no.1
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• pp.21-25
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• 2011

A novel electrode for an NO gas sensor was fabricated from electrospun polyacrylonitrile fibers by thermal treatment to obtain carbon fibers followed by chemical activation to enhance the activity of gas adsorption sites. The activation process improved the porous structure, increasing the specific surface area and allowing for efficient gas adsorption. The gas sensing ability and response time were improved by the increased surface area and micropore fraction. High performance gas sensing was then demonstrated by following a proposed mechanism based on the activation effects. Initially, the pore structure developed by activation significantly increased the amount of adsorbed gas, as shown by the high sensitivity of the gas sensor. Additionally, the increased micropore fraction enabled a rapid sensor response time due to improve the adsorption speed. Overall, the sensitivity for NO gas was improved approximately six-fold, and the response time was reduced by approximately 83% due to the effects of chemical activation.