• Bulletin of the Korean Chemical Society
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• v.1 no.2
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• pp.54-57
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• 1980

Trichloromethylphosphonyl dichloride was prepared by the aluminium chloride method. We synthesized several heterocyclic compounds containing phosphorus atom by the stepwise esterification of trichloromethylphosphonyl dichloride with ethylene glycol, 2-mercaptoethanol, ethylene diamine, and 2-aminoethanol and the resulting heterocyclic compounds are 2-trichloromethyl-1,3,2-dioxa-, 2-trichloromethyl-1,3,2-thioxa-, 2-trichloromethyl-1,3,2-diaza-, 2-trichloromethyl-1,3,2-diaza-, and 2-trichloromethyl-1,3,2-oxazaphospholane-2-oxide. The best results were obtained in the solution of triethylamine as hydrochloric acid trapping agent. The structure of five-membered heterocyclic phosphonates were characterized by their IR, NMR, and elementary analysis and the mass spectra of the compounds were analyzed.

• Food Science and Biotechnology
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• v.17 no.5
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• pp.1032-1037
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• 2008

Lowly volatile heterocyclic sulfur compounds generated in autoclaved garlic extract were isolated and identified, and their antimicrobial activity was determined. Two kinds of unusual volatile sulfur compounds were separated from heated garlic by preparative recycling high performance liquid chromatography (HPLC), and identified by gas chromatography (GC)-mass spectrometry (MS) and $^1H$-nuclear magnetic resonance (NMR). They had heterocyclic structures with 4 to 5 sulfur atoms in the molecules. 4-Methyl-1,2,3-trithiolane (MTTT) is highly volatile and was not able to be concentrated, and was identified by GCMS only. MTTT and 6-methyl-1,2,3,4,5-pentathiepane (MPTP) are lowly volatile and were obtained in pure states to be positively identified for the first time. All 3 heterocyclic sulfur compounds began to appear by the time when the early-formed diallyl sulfides started to disappear. The minimum inhibitory concentration range of MTTT and MPTP was determined to be between 1 and 6 ppm against all yeasts tested. MTTT and MPTP were lowly volatile and sparingly soluble in water.

• Mycobiology
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• v.36 no.1
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• pp.66-69
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• 2008

A simple, efficient and cost effective method is described for the synthesis of Biginelli type heterocyclic compounds of dihydropyrimidinones analogous. They were prepared from a reaction mixture consisting of substituted benzaldehydes, thiourea and ethylacetoacetate using ammonium dihydrogenphosphate as catalyst. The procedure for the preparation of the compounds is environmentally benign and safe which is advantageous in terms of experimentation, catalyst reusability, yields of the products, shorter reaction times and preclusion of toxic solvents. The four new synthesised compounds were tested for their antifungal activity. They have good antifungal activity comparing to the standard (Fluconazole).

• Bulletin of the Korean Chemical Society
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• v.34 no.12
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• pp.3690-3694
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• 2013

The $H_2Ge=Ge:$ and its derivatives ($X_2Ge=Ge:$, X = H, Me, F, Cl, Br, Ph, Ar${\ldots}{\ldots}$) is a new species. Its cycloaddition reactions is a new area for the study of germylene chemistry. The mechanism of the cycloaddition reaction between singlet state Cl2Ge=Ge: and formaldehyde has been investigated with CCSD(T)//MP2/$6-31G^*$ method. From the potential energy profile, it could be predicted that the reaction has only one dominant reaction pathway. The reaction rule presented is that the two reactants first form a fourmembered Ge-heterocyclic ring germylene through the [2+2] cycloaddition reaction. Because of the 4p unoccupied orbital of Ge: atom in the four-membered Ge-heterocyclic ring germylene and the ${\pi}$ orbital of formaldehyde forming a ${\pi}{\rightarrow}p$ donor-acceptor bond, the four-membered Ge-heterocyclic ring germylene further combines with formaldehyde to form an intermediate. Because the Ge: atom in intermediate hybridizes to an $sp^3$ hybrid orbital after transition state, then, intermediate isomerizes to a spiro-Ge-heterocyclic ring compound via a transition state. The research result indicates the laws of cycloaddition reaction between $H_2Ge=Ge:$ and formaldehyde, and laid the theory foundation of the cycloaddition reaction between $H_2Ge=Ge:$ and its derivatives ($X_2Ge=Ge:$, X = H, Me, F, Cl, Br, Ph, Ar${\ldots}{\ldots}$) and asymmetric ${\pi}$-bonded compounds, which is significant for the synthesis of small-ring and spiro-Ge-heterocyclic compounds. The study extends research area and enriches the research content of germylene chemistry.

• Bulletin of the Korean Chemical Society
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• v.26 no.4
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• pp.585-588
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• 2005

Bipyridine and its derivatives have been widely used as the ligands in transition metal complexes. The proton affinities of pyridine derivatives were calculated using an ab initio quantum mechanical method (B3LYP with various double zeta and triple zeta basis sets) in combination with the Poisson-Boltzmann continuum solvation model. Van der Waals radii of the atoms in the heterocyclic rings for the solvation energy calculation were set to values determined to reproduce the $pK_a$ values of guanine and oxoguanine derivatives and that of chlorine was optimized to reproduce the experimental values of relating compounds. The $pK_a$ values for the heterocyclic ring compounds were in agreement with the experimental values with a mean unsigned error of 0.45 $pK_a$ units.

• Analytical Science and Technology
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• v.11 no.4
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• pp.292-296
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• 1998

Normal phase or reversed phase liquid chromatographic separation of isoquinoline of heterocyclic compounds and structural isomers of external substituents, $COOCH_3$, CN and $CH_3$ has been carried out by using several different columns and various mobile phases. From this results, the order of elution of heterocyclic compounds appears to depend on the solvent effect with kinds of mobile phases. Retention mechanism of normal phase system for 2-methylindoline, 2-methylindole, benzoxazole and benzothiazole was also studied depending on adsorption strength between solute and stationary phase of column. However, retention factors of reversed phase system were found on hydrophobic interaction with solvophobic effect.

• Archives of Pharmacal Research
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• v.20 no.6
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• pp.610-619
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• 1997

Some new 9H-thioxanthen-9-one incorporated into heterocyclic systems such as pyridone 8, pyrazoline 9, pyranone 11, iminopyrane 12, furopyrimidine 17, imidazothiazole 19, thiazole 21, triazine 24 and other related compounds through a para imminophenyl grouping at position-1 of the thioxanthenone ring were synthesized and tested as antitumor agents against L1210 leukemia in mice. Some of the new compounds showed considerable antitumor activity.

• Proceedings of the PSK Conference
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• 2002.10a
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• pp.351.1-351.1
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• 2002

Heterocyclic compounds with oxygen atoms are known to have potent biological effect. The flavonoids. isoflavonoids. and coumarins which form the bulk of these compounds are very polar and have limited use as drugs which have to pass through membranes. The non-polar property is increased by exchange oxygen to selenium as a part of heterocyclic compound. Our group is focused on synthesizing selenoheterocyclic compound with the above property. (omitted)

• Journal of the Korean Society of Tobacco Science
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• v.30 no.1
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• pp.33-38
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• 2008

This study was carried out to determine the analytical methods for heterocyclic amines(HAs) of the tobacco smoke by LC/MS/MS. HAs have been found in pyrolysate of protein and cooked food including protein, were known the Sugimura compound. HAs content of the smoke were known to exist very low ppb level. Especially, some of HAs are mutagenic and carcinogenic compounds. In according to IARC, the toxicity of N-heterocyclic amines classified IARC class 2A or 2B group. Precursors of these compounds are glutamic acid, protein and free amino acids including tryptophan, therefore, the precursors have been proved in cooked food continuously. This study was investigate multiple analysis methods for HAs and HAs contents of some commercial products. In this study, we used the linear type smoking machine for HAs analysis. At the ISO conditions, mainstream smoke was collected on cambridge filter pad, and then cambridge filter pad was extracted by 0.1% acetic acid. The extracted solution were passed cation exchange SPE cartridge to remove matrix, samples were analyzed using LC/MS/MS on MRM mode. From the result that optimized this methods, the correlation coefficient(R) of the individual compounds were good linearity over 0.999, recovery rate over 96% and the limit of detection were good values between 0.06 to 0.37 ng/mL, In addition, HAs content of some commercial products were in range of 0.02 to 43.8 ng/cig.

• Korean Journal of Food Science and Technology
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• v.20 no.1
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• pp.119-124
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• 1988

The desmutagenic effects of ${\alpha}$-hydroxycarbonyl compounds, such as glyceraldehyde, glycolaldehyde, dihydroxyacetone, furfural, 5-hydroxymethylfurfural, maltol, acetol and acetoin and ${\alpha}$-dicarbonyls, such as diacetyl, glyoxal, methyl glyoxal and 2, 3-pentanedione were investigated against the mutagenic heterocyclic amines, such as Trp-P-1, Trp-P-2, Glu-P-1, Glu-P-2 and IQ. Most of the carbonyl compounds suppressed the mutagenicity of heterocyclic amines for S. typhimurium TA98, ${\alpha}$-dicarbonyl compounds showing a higher desmutagenic effect than ${\alpha}$-hydroxycarbonyl compounds. Among the ${\alpha}$-hydroxycarbonyl compounds, glyceraldehyde, glycolaldehyde and dihy-droxyacetone showed more effective desmutagenicity, and diacetyl among the ${\alpha}$-dicabonyl compounds had the highest desmutagenic effect. These carbonyl compounds alone also showed mutagenicity to S. typhimurium TA100 without S-9 mix. The reaction of carbonyl compounds with mutagenic heterocyclic amines also eliminated the mutagenicity of the former for S. typhimurium TA100.