• 제목/요약/키워드: guanidine

검색결과 131건 처리시간 0.028초

DFT Studies on Two Novel Explosives Based on the Guanidine-Fused Bicyclic Structure

  • Jin, Xing-Hui;Hu, Bing-Cheng;Jia, Huan-Qing;Liu, Zu-Liang;Lu, Chun-Xu
    • Bulletin of the Korean Chemical Society
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    • 제35권4호
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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.

누에 전염성 연화병의 발병 억제제에 의한 방제 (Inhibitory Effect of Guanidine Hydrochloride on the Infectious Flacherie Virus of the Silkworm, Bombyx mori)

  • 강석권;김근영;이재창;조용섭
    • 한국잠사곤충학회지
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    • 제25권2호
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    • pp.37-43
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    • 1984
  • 누에병 중에 피해가 막대한 전염성 연화병을 방제하기 위하여 바이러스 증식을 특이적으로 억제하는 guanidine 유도체중에서 그 억제효과가 큰 guanidine hydrochloride(GH)를 도입하여 전염성 연화병 바이러스의 증식억제효과에 관하여 조사하였다. 1. 누에에 대한 GH의 약해시험 결과에서는 GH농도 0.01% 수준 이하에서는 약해가 전혀 없었다. 2. FV 감염잠 혼입에 따른 피해조사에서는 화용비율은 무처리(대조) 89.2% (100)에 대하여 1% 감염잠혼입구 70.7%(79), 5% 감염잠 혼입구 38.4%(43)이었으며 1만두수견양은 대조구 21.3kg(100)에 대하여 1% 혼입구 16.7kg(77), 5% 혼입구 8.8kg(41)으로서 전자와 같은 경향으로 나타났다. 3. FV에 대한 GH의 발병억제효과는 GH 0.01% 농도에서 대조구에 비하여 약 10배의 억제효과가 있었다. 4. GH의 투여회수와 발병억제효과에서는 FV접종후 계속 투여하는 것이 가장 효과적이었다. 5. FV 접종후 GH투여시간에 대한 발병억제 효과는 접종과 동시에 투여는 것이 가장 효과적이었다. 6. FV의 GH에 의한 시험관내 불활화조사에서는 GH가 시험관내에서 FV를 불활화시키는 작용이 인정되지 않았다.

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An analysis of a humidifier disinfectant case from a toxicological perspective

  • Park, Kwangsik
    • Environmental Analysis Health and Toxicology
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    • 제31권
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    • pp.13.1-13.4
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    • 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.

대장균에서 대량 발현된 Streptomyces peucetius유래 Aklavinone 11-Hydroxylase효소의 최적 가용화 조건 (Optimization of Refolding Conditions for the Aklavinone 11-Hydroxylase of Streptomyces peucetius Overexpressed in Escherichia coli.)

  • 민우근;홍영수;최용경;이정준;홍순광
    • 한국미생물·생명공학회지
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    • 제26권4호
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    • pp.365-368
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    • 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.

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Mitochondrial Affinity of Guanidine-rich Molecular Transporters Built on Monosaccharide Scaffolds: Stereochemistry and Lipophilicity

  • Lee, Woo-Sirl;Kim, Wan-Il;Kim, Kyong-Tai;Chung, Sung-Kee
    • Bulletin of the Korean Chemical Society
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    • 제32권7호
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    • pp.2286-2300
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    • 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.

원지의 구조적 변화가 난연제의 정착과 난연 처리된 종이의 인화 특성에 미치는 영향(1) -충전제와 난연 전처리된 폴리에스테르 섬유의 효과 - (Effect of Substrate Structure on Flame Retardant Fixation and Ignition Characteristics of the Treated Paper(1) - Effect of filler and pre treated polyester fiber -)

  • 김병수;이승기;정현채
    • 펄프종이기술
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    • 제34권2호
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    • pp.42-46
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    • 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.

Structural and Thermal Characteristics of a High-Nitrogen Energetic Material: G(AHDNE)

  • Lu, Lei;Xu, Kangzhen;Zhang, Hang;Wang, Gang;Huang, Jie;Wang, Bozhou;Zhao, Fengqi
    • Bulletin of the Korean Chemical Society
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    • 제33권7호
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    • pp.2352-2358
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    • 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.