• 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.

• Proceedings of the KAIS Fall Conference
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• 2011.05a
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• pp.147-150
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• 2011

A copper-based metal organic framework (MOF) named Cu-BTC, also known as HKUST-1, was successfully synthesized by using a solvothermal method. The properties of the Cu-BTC sample were characterized with Powder X-ray diffraction (XRD) for phase structure, Thermogravimetric analysis (TGA) for thermal stability, Scanning electron microscopy (SEM) for crystal structure, and Nitrogen adsorption-desorption for pore textural structure. The analysis results displayed that the Cu-BTC sample exhibited a good crystal structure with uniform size of octahedral particles. The BET data revealed a high surface area of $1457 \;m^2g^{-1}$ and a pore volume of $0.60\; cm^3g^{-1}$. The Cu-BTCs ample was also studied for $CO_2$ adsorption and exhibited a maximum $CO_2$ adsorption capacity of 170 mg/g of the sorbent (3.8 mol/kg) at $25^{\circ}C$.

• The Journal of Asian Finance, Economics and Business
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• v.8 no.5
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• pp.287-292
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• 2021

The article analyzes the impact of capital structure on the firm value of chemical companies listed on the stock market of Vietnam. Data was collected from the financial statements of 23 chemical firms listed on the Vietnam stock market from 2012 to 2019. Quantitative research method with regression model according to OLS, FEM, REM method is used; FGLS method is used to overcome the model's defects. In this research, firm value (Tobin's Q) is a dependent variable. Capital structure (DA), Return on assets (ROA), Asset turnover (AT), fixed assets (TANG), Solvency (CR), Firm size (SZ), Firm Age (AGE), and revenue growth rate (GR) are independent variables in the study. The analysis results show that the capital structure of firms in the chemical industry listed on the Vietnam stock market has an inverse correlation with firm value. Besides, firms with greater asset turnover, business size, and number of years of operation have lower firm value. This article helps corporate executives improve corporate value by adjusting their capital structure properly. Chemical firms adjusted their capital structure in the direction of gradually decreasing the debt ratio and gradually increasing equity. Firms use high debt, which has the effect of reducing the firm value of firms in the chemical industry.

• Journal of the Korean Chemical Society
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• v.14 no.4
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• pp.309-319
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• 1970

Composition of Acid Clay, the raw material for activated clay manufacturing, was investigated to develop useful data in deciding activation condition. Speculations on components and structure of activated clay were also made in order to see how included components of raw materials change during activation process. And a study was made on relations between structure of activated its adsorptivity. For this research, theremogravimetric analysis, X-ray differaction analysis and calculation of adsorptive index were carried out.

• Korean Journal of Soil Science and Fertilizer
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• v.46 no.6
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• pp.474-481
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• 2013

Understanding the microbial community structure of agricultural soils is important for better soil management in order to improve soil quality. Phospholipid fatty acid analysis has been popularly used in determining the microbial community structure in different ecosystems. The microbial community structure of paddy soil under long-term fertilizer treatments was investigated after 45 years using PLFA analysis. Treatments were control (no fertilization, Con), compost (COM), NPK, NPK+compost (NPKC), PK, NK, and NP. Soil chemical properties were mainly affected by the addition of compost and inorganic P fertilizer. Total nitrogen and organic matter contents were significantly higher in treatments with compost while available $P_2O_5$ and exchangeable calcium were significantly higher in treatments with added inorganic P fertilizer. It was found that microbial communities were responsive to the different fertilizer treatments. PLFA results showed that the soils were dominated by gram-negative bacteria, followed by the actinomycetes, then gram-positive bacteria, and fungi. Principal component analysis of the soil chemical properties and PLFA composition proved to be a more reliable tool because it was more responsive to the changes in soil chemical properties.

• Bulletin of the Korean Chemical Society
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• v.7 no.1
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• pp.55-58
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• 1986

Analytical capability of surface-enhanced Raman scattering has been evaluated. Silver films prepared by homogeneous chemical reduction were used as the substrate. Detection limits for p-nitrobenzoic acid, thiophenol and rhodamine 6G were around $10{\sim}100\;pg$.

• Analytical Science and Technology
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• v.20 no.4
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• pp.355-360
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• 2007

The title complex, $(C_3H_{12}N_2)[\{Cd(H_2O)(C_6H_5O_7)\}_2]{\cdot}6H_2O$, I, has been prepared and its structure characterized by FT-IR, EDS, elemental analysis, ICP-AES, and X-ray single crystallography. It is triclinic system, $P{\bar{1}}$ space group with a = 10.236(2), b = 11.318(2), c = $13.198(2){\AA}$, ${\alpha}=77.95(1)^{\circ}$, ${\beta}=68.10(1)^{\circ}$, ${\gamma}=78.12(1)^{\circ}$, V = $1373.5(3){\AA}^3$, Z = 2. Complex I has constituted by protonated 1,3-diaminopropane cations, citrate coordinated cadmium(II) anions, and free water molecules. The central cadmium atoms have a capped trigonal prism geometry by seven coordination with six oxygen atoms of three different citrate ligands and one water molecule. Citrate ligands are bridged to three different cadmium atoms. Each cadmium atom is linked by carboxylate and hydroxyl groups of citrate ligand to construct an one-dimensional ladder-type assembly structure. The polymeric crystal structure is stabilized by three-dimensional networks of the intermolecular O-H${\cdots}$O and N-H${\cdots}$O hydrogen-bonding interaction.

• Journal of the Korea Academia-Industrial cooperation Society
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• v.13 no.4
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• pp.1915-1922
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• 2012

In this study, synthesis of mesoporous silica such as, SBA-15, MCM-41, MCM-48, KIT-6 according to various experimental conditions. The CMK(Carbon Mesoporous Korea) was synthsized by various mesoporous silica. Finally, the mesoporous transition metal structure synthesized using CMK structure. Nitrogen adsorption/ desorption, SEM, low angle X-ray diffraction were carried for analysis of each sample. The optimum synthesis condition of mesoporous transition metal structure derived from characteristic analysis. The SBA-15 is best precursor for synthesis of mesoporous transition metal structure. The surface area of copper mesorporous structure from CMK(SBA-15) is $225m^2/g$, pore diameter is 2.91nm by BET analysis.

• Bulletin of the Korean Chemical Society
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• v.35 no.7
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• pp.2086-2092
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• 2014

Two novel coordination compounds $[Cu_2(pypya)_3(H_2O)_2]{\cdot}Cl{\cdot}(H_2O)_5$ (1) and $\{[Cd(pypya)(ta)_{1/2}]{\cdot}H_2O\}_n$ (2) (Hpypya=2-(3-(pyridin-2-yl)-1H-pyrazol-1-yl)acetic acid, $H_2ta$=terephthalic acid) were synthesized and characterized by single X-ray diffraction. Structure determination reveals that complex 1 and complex 2 crystallize in the triclinic system, with the P-1 space group. The asymmetric unit of 1 contains two Cu(II) ions, and their coordination modes are different. These units of complex 1 are linked together via hydrogen bonds and ${\pi}-{\pi}$ interactions, and the 3D structure of complex 1 was formed. Complex 2, a mononuclear Cd(II) coordination compound, has a 2D structure which was constructed via coordination bonds. TGA and fluorescence spectra analysis of complex 1 and complex 2 have also been studied. In addition, the geometry parameters of complex 1 have been optimized with the B3LYP method of density functional theory (DFT) to explain its coordination behavior. The electronic properties of the complex 1 and ligand Hpypya have been investigated based on the nature bond orbital (NBO) analysis at the B3LYP level of theory. The result verifies that the synergistic effect have occurred in the compound.

• Bulletin of the Korean Chemical Society
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• v.27 no.5
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• pp.786-788
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• 2006