• Korean Chemical Engineering Research
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• v.59 no.4
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• pp.644-651
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• 2021

Alkyl amines are widely used in various industries. Nowadays these are also used in CO₂ capture technology because amines react with CO₂ and remove it from the flue gas. To make the amines more compatible towards this technology, physico chemical properties may be altered by mixing with other solvents. In the present report, we measured the refractive properties of pure diisopropylamine (DIPA) (1) + isomeric butanol (2) at 298.15 K to 308.15 K. The 𝚫n values were positive for DIPA + n-butanol or sec-butanol or isobutanol or tert-butanol mixtures. The measured data was correlated with Redlich-Kister equation. The excess molar volume data were predicted from refractive index data using Nakata and Sakurai model. The experimental data were also predicted by various correlations, and the prediction capability of these correlations was reported through standard deviation. Further, the deviation in refractive index (𝚫n) data was interpreted by the consideration of specific molecular interactions between DIPA and isomeric butanol.

• Near Infrared Analysis
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• v.2 no.1
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• pp.55-58
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• 2001

The object of this work was to investigate the influence of growing district and harvest year on calibration for sweetness (Brix) determination of Fuji apple fruit using near infrared (NIR) reflectance spectroscopy, and to develop the robust calibration across these variation. The calibration models was based on wavelength range of 1100∼2500 nm using a stepwise multiple linear regression. A calibration model by sample set of one growing district was not transferable to other growing districts. The combined calibration (data of three growing districts) predicted reasonable well against a population set drawn from all growing districts (SEP=0.69, Bias=0.075). A calibration model by sample set of one harvest year was not also transferable to other harvest years. The combined calibration (data of three harvest years) predicted well against a population set drawn from all harvest years (SEP=0.53, Bias=0.004).

• Bulletin of the Korean Chemical Society
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• v.26 no.11
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• pp.1761-1766
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• 2005

Solvolysis rates of isopropenyl chloroformate (3) in water, $D_2O$, $CH_3OD$ and in aqueous methanol, ethanol, 2,2,2-trifluoroethanol (TFE), acetone, 1,4-dioxane as well as TFE-ethanol at 10 ${^{\circ}C}$ are reported. Additional kinetic data for pure water, pure ethanol and 80%(w/w) 2,2,2-trifuoroethanol (T)-water (W) at various temperatures are also reported. These rates show the phenomena of maximum rates in specific solvents (30% (v/v) methanol-water and 20% (v/v) ethanol-water) and, variations in relative rates are small in aqueous alcohols. The kinetic data are analyzed in terms of GW correlations, steric effect, kinetic solvent isotope effects (KSIE), and a third order model based on general base catalysis (GBC). Solvolyses based on predominately stoichiometric solvation effect relative to medium solvation are proceeding in 3 and the results are remarkably similar to those for p-nitrobenzoyl chloride (4) in mechanism and reactivity.

• Natural Product Sciences
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• v.22 no.3
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• pp.216-219
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• 2016

The microbial transformation of anthranilic acid (1) by the marine-mudflat-derived fungus Thielavia sp. produced an antibacterial polycyclic quinazoline alkaloid, thielaviazoline (2). The stereostructure of the metabolite was assigned based on detailed spectroscopic data analyses including comparison of the NMR ($^1H$ and $^{13}C$) data with those of reported compound (2). Compound 2 displayed in vitro antimicrobial activity against methicillin-resistant and multidrug-resistant Staphylococcus aureus (MRSA and MDRSA), with minimum inhibitory concentrations (MICs) of 6.25 and $12.5{\mu}g/mL$, respectively. Compound 2 also showed potent radical-scavenging activity against 2,2-diphenyl-1-picrylhydrazyl (DPPH) with an $IC_{50}$ of $11{\mu}M$, which was more active than the positive control, L-ascorbic acid ($IC_{50}$, $20.0{\mu}M$).

• Bulletin of the Korean Chemical Society
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• v.28 no.9
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• pp.1519-1522
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• 2007

A new oleanane-type triterpenoid estersaponin, bodinierin C (1), along with two known saponins, mazusaponin I (2) and ciwujianoside C (3), were isolated from the water-soluble part of the root barks of Elsholtzia bodinieri. The structure of bodinierin C was characterized by spectroscopic means and chemical hydrolysis as 3β -Ocaffeoyl- 23-hydroxylechinocystic acid 28-O-α -L-rhamnopyranosyl-(1→4)-β-D-glucopyranosyl-(1→6)-β- D-glucopyranosyl ester. The known compounds were identified by comparing their spectral data with those of authentic samples or data reported in the literature. All compounds were firstly isolated from Elsholtzia bodinieri family.

• Bulletin of the Korean Chemical Society
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• v.26 no.6
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• pp.925-929
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• 2005

Some new metal(II) complexes, $M^{II}L_2$ [M = Mn (1), Co (2), Ni (3), Cu (4), and Zn (5)] of 2-acetylpyridine benzoylhydrazone ligand (HL) containing trifunctional NNO-donor system have been synthesized and crystallographically characterized for the complex 1 and 5. The complexes consist of two ligands to give sixcoordinate, which are bonded to the metal atom on a meridional plane through acetylpyridine ring nitrogen, azomethine nitrogen, and benzoyl oxygen atoms, respectively. The coordination geometry for other complexes was identified on the basis of the physicochemical data by elemental analyses, FAB -MS, IR, $^1H$ NMR, and electronic spectral measurements. The resulting data indicated that the complexes are accordance with the above formulation.

• Bulletin of the Korean Chemical Society
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• v.25 no.6
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• pp.791-795
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• 2004

The binding of cethyl trimethylammonium bromide, (CTAB) with human serum albumin (HSA) has been investigated at 5 mM phosphate buffer pH 7.0, 27 $^{\circ}C$ and various ionic strength using ion selective membrane electrodes. This method is faster and much more accurate than equilibrium dialysis technique, so provides sufficient and accurate data for binding data analysis. A novel and simple method was introduced for resolution and characterization of binding sets on basis of binding capacity concept. The values of Hill binding parameters were estimated for each set and used for calculation of intrinsic binding affinity. The results interpreted on basis of nature of forces which interfered in the interaction and represent the existence of three and two binding sets for binding of CTAB at $10^{-4}$ and $10^{-3}$ M of NaBr, respectively.

• Bulletin of the Korean Chemical Society
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• v.14 no.1
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• pp.38-42
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• 1993

Factor analysis was applied to study the thermal decomposition of barium titanyl oxalate (BTO) which is used as the precursor of barium titanate. BTO was synthesized in $H_2O$ solvent and calcined at various temperatures. The X-ray diffraction patterns were obtained to make the data matrix of peak intensity vs. 2${\theta}$. Abstract factor analysis and target transformation factor analysis were applied to this data matrix. It has been found that the synthesized BTO consists of the crystals of $BaC_2O_4{\cdot}0.5H_2O\;and\;BaC_2O_4{\cdot}2H_2O$ as well as the amorphous solid of TiO-oxalate. The results also indicate that the BTO was transformed via $BaCO_3\;to\;BaTiO_3\;and\;Ba_2TiO_4$ during the thermal decomposition.

• Bulletin of the Korean Chemical Society
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• v.15 no.2
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• pp.106-112
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• 1994

Six physical properties (molecular weight, heat capacity, side chain weight, side chain volume, standard entropy and partial molar volume) of amino acids, peptides and their derivatives were examined by molecular modeling techniques. The molecular connectivity index, Wiener distance index and ad hoc descriptor are employed as structural parameters to encode information about branching, size, cyclization, unsaturation, heteroatom content and polarizability. This paper examines the correlation of the molecular modeling techique's parameters and the physicochemical properties of amino acids and their derivatives. As a result, calculated values were in agreement with experimental data in the above six physical properties of amino acids, peptides and their derivatives and the molecular connectivity index was superior to the other indices in fitting the calculated data.

• Bulletin of the Korean Chemical Society
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• v.7 no.1
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• pp.73-77
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• 1986

Data on the concentration of Na, K, Sc, Cr, Fe, Co, Cu, Ga, Rb, Cs, Ba, La, Ce, Sm, Eu, Tb, Lu, Hf, Ta, and Th obtained by neutron activation analysis have been used to characterize Korean porcelainsherds by multivariate analysis. The mathematical approach employed is principal component analysis (PCA). PCA was found to be helpful for dimensionality reduction and for obtaining information regarding (a) the number of independent causal variables required to account for the variability in the overall data set, (b) the extent to which a given variable contributes to a component and (c) the number of causal variables required to explain the total variability of each measured variable.