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

• Journal of Sericultural and Entomological Science
• /
• v.25 no.2
• /
• pp.37-43
• /
• 1984

The prevalence of the infectious flacherie virus (FV) disease causes a severe damage to cocoon yield and various methods to control the disease have been studied. In this regard, guanidine hydrochloride (GH), one of the guanidine derivatives known as the most inhibitory agent against the replication of picorna virus, was applied to silkworms per os with mulberry leaves and the results were as follows. 1. The application of GH below 0.01% of the chemical concentration did not give any damage to silkworm larvae. 2. The transmission of the virus disease by introducing the FV infected larvae to the healthy larvae group was proportioned to the number of infected larvae. When l% of infected larvae was introduced to the rearing tray of healthy larvae, the pupation rate was 70.7%(79) and it was 38.4% (43) to 5% of infected larvae introduced, while the control of non-mixed with infected larvae gave 89.2% (100) of pupation rate. The cocoon yield from 10,000 larvae also showed the same tendency as the pupation rate. 3. The inhibitory effect of GH against the replication of FV showed ten times in treatment of 0,01% of the chemical agent compared to the non-treatment. 4. The successive application of GH after virus inoculation to silkworm larvae led to the most effective on the inhibition of the virus replication. 5. The immediate application of GH after the virus inoculation also gave the best effect on the inhibition of the virus replication in silkworm larvae. 6. The effect of GH on the inactivation of FV in vitro was not observed.

• Proceedings of the Korean Fiber Society Conference
• /
• 1999.04a
• /
• pp.229-232
• /
• 1999

• Journal of the Korean Chemical Society
• /
• v.1 no.1
• /
• pp.12-15
• /
• 1949

• Proceedings of the Korean Fiber Society Conference
• /
• 1999.10a
• /
• pp.211-214
• /
• 1999

• Environmental Analysis Health and Toxicology
• /
• v.31
• /
• pp.13.1-13.4
• /
• 2016

An analysis of patients and fatalities due to exposure to polyhexamethylene guanidine (PHMG) shows that PHMG causes mainly lung diseases such as pulmonary fibrosis. However, no research on the other organs has been conducted on this matter yet. So, an in-depth discussion on toxicological techniques is needed to determine whether or not PHMG is toxic to organs other than just the lungs. For the test of target organ toxicity by PHMG exposure, a toxicokinetic study must first be conducted. However, measurement method for PHMG injected into the body has not yet been established because it is not easy to analyze polymer PHMG, so related base studies on analytical technique for PHMG including radio-labeling chemistry must come first. Moreover, research on exposure-biomarker and effect-biomarker must also be conducted, primarily related to clinical application. Several limitations seem to be expected to apply the biomarker study to the patient because much time has passed after exposure to the humidifier disinfectant. It is why a more comprehensive toxicological researches must be introduced to the causality for the victims.

• Microbiology and Biotechnology Letters
• /
• v.26 no.4
• /
• pp.365-368
• /
• 1998

The aklavinone 11-hydroxylase which was overexpressed using T7 promoter in E. coli could be detected in SDS-PAGE only in insoluble precipitate without any detectable enzyme activity. The insoluble enzyme was solubilized in 6M guanidine$.$HCl solution and their refolding ability was tested under various conditions. When the enzymatic activity was checked by the bioconversion experiment, stepwise dialysis against 6M, 3M, 1M guanidine$.$HCl and finally 100 mM potassium phosphate buffer of the solubilized protein gave the best bioconversion efficiency. The aklavinone 11-hydroxylase showed its enzymatic activity in the reaction buffer containing NADPH with vigorous shaking. The enzymatic activity was lost during partial purification and regained by the addition of crude extract of S. lividans in the reaction mixture. This effect was confirmed to due to some low-molecular weight component(s) in the crude extract, because the addition of dialyzed crude extract could not recover the enzymatic activity.

• Bulletin of the Korean Chemical Society
• /
• v.32 no.7
• /
• pp.2286-2300
• /
• 2011

We synthesized eight G8 molecular transporters (MTs) based on 4 different monosaccharide scaffolds, and studied their biological properties with a special focus on possible mitochondrial targeting and tissue selectivity. The mitochondrial affinity of these MTs was found to be clearly related to the scaffold stereochemistry and also tenuously with the lipophilicity. It may be suggested that in the practical delivery strategy of drugs for the brain and mitochondrial diseases the BBB permeability and mitochondrial affinity should be considered as key parameters, and that an enhanced mitochondrial affinity appears possible by further research on the structure-property relationship of guanidine-rich molecular transporters.

• Journal of Korea Technical Association of The Pulp and Paper Industry
• /
• v.34 no.2
• /
• pp.42-46
• /
• 2002

Wallpaper has been used for decorating wall with multifarious patterns and colors. Ignition characteristic of wallpapers depends upon the types of wallpapers and their components. Since the wallpaper is made of flammable cellulose fibers diverse materials are being used as flame retardant in producing wallpapers. In this paper the ignition characteristics wallpapers prepared with three different fillers and pretreated polyester fibers were examined. Also the effect of calendering on ignition characteristics was investigated. Commercial papers were used for checking the effect of calendering on the ignition characteristics of treated paper In this experiments, guanidine sulfomate was used as flame retardant.

• Bulletin of the Korean Chemical Society
• /
• v.33 no.7
• /
• pp.2352-2358
• /
• 2012

A high-nitrogen energetic salt, 1-amino-1-hydrazino-2,2-dinitroethylene guanidine salt [G(AHDNE)], was synthesized by reacting of 1-amino-1-hydrazino-2,2-dinitroethylene (AHDNE) and guanidine hydrochloride in sodium hydroxide aqueous solution. The theoretical investigation on G(AHDNE) was carried out by B3LYP/$6-311+G^*$ method. The thermal behaviors of G(AHDNE) were studied with DSC and TG-DTG methods, and the result presents an intense exothermic decomposition process. The enthalpy, apparent activation energy and pre-exponential constant of the process are $-1060J\;g^{-1}$, $148.7kJ\;mol^{-1}$ and $10^{15.90}s^{-1}$, respectively. The critical temperature of thermal explosion of G(AHDNE) is $152.63^{\circ}C$. The specific heat capacity of G(AHDNE) was studied with micro-DSC method and theoretical calculation method, and the molar heat capacity is $314.69J\;mol^{-1}K^{-1}$ at 298.15 K. Adiabatic time-to-explosion of G(AHDNE) was calculated to be a certain value between 60-72 s. The detonation velocity and detonation pressure were also estimated. G(AHDNE) presents good performances.