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Analysis of Nonclassical Fullerene C24 Regioisomers Encapsulating H2O using Hybrid Density Functional Methods B3LYP and M06-2X

  • Lee, Seol;Lee, Ji Young;Lee, Kee Hag
    • Bulletin of the Korean Chemical Society
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    • v.35 no.3
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    • pp.899-904
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    • 2014
  • The atomic structures and electronic properties of six classical and nonclassical $H_2O$@$C_{24}$ fullerene regioisomers are systematically studied using the hybrid density functional B3LYP method and M06-2X method with empirical dispersion in conjunction with the 6-31G(d,p) basis sets. The charge transfer, frontier orbitals, dipole moment, energy gap between the HOMO and LUMO, and volume change of the $C_{24}$ cage are analyzed upon encapsulation of a $H_2O$ molecule in each $C_{24}$ regioisomer. All encapsulation processes are endothermic and the relative stabilities of six $C_{24}$ fullerene regioisomers change upon encapsulation of $H_2O$.

Construction of laser induced grating spectrometer and measurement of thermal grating in $C_3H_8$ flame (레이저 유도 격자 분광장치 제작 및 $C_3H_8$화염에서 열 격자 측정)

  • 박철웅;한재원;이중재;이영우;고동섭
    • Korean Journal of Optics and Photonics
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    • v.12 no.6
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    • pp.446-451
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    • 2001
  • We made a laser induced grating spectrometer(LIGS) and measured the thermal grating signal generated in a $C_3$ $H_{8}$ flame. The thermal grating was formed in the C7Ha flame with two second-harmonic Nd:YAG pulse laser beams, and an LIGS signal was generated by Bragg scattering of a probe laser beam A $r^+.laser(488 nm). We found the modulation period of the signal depends linearly on the spacing of the grating set in the flame. We determined flame temperature by fitting the modulated signal and soot concentration with signal strength. Using this technique, we also obtained temperature profile and soot-particle distribution in a $C_3$ $H_{8}$ flame .e .

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Studies on the Inulin hydrolyzing enzyme produced by Aspergillus sp. (C-74 strain) Part 1. Some properties of the Inulin hydrolyzing enzyme from selected strain (Aspergillus sp. (C-74 strain)가 생산하는 Inulin 분해효소에 관한 연구 (제 1보) 분리선별한 균주효소의 효소학적 성질)

  • 권태종;정호권;강효원;서정훈
    • Microbiology and Biotechnology Letters
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    • v.1 no.1
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    • pp.37-42
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    • 1973
  • C-74 belonging to the genus of Aspergillus species was selected from two hundred and seventy microorganisms stored at the lab, of microbiology. 1. Sample Inulase was precipitated mainly at pH 8 to 5 by isoelectric point fraction method. 2. The optimum pH of Inulase activity of the enzyme from C-74 strain was about 3.0 3. The optimum temperature of Inulase activity of the enzyme from C-74 strain was about $55^{\circ}C$ 4. The Inulase from C-74 strain was stable at $50^{\circ}C$ for 10mins. 5. The range of the pH stability of the Inulase from C-74 strain was about 2.5-4.5 6. Effect of metal ions on the Inulase activity of the enzyme from C-74 strain was activated by Mg$\^$++/, Sb$\^$+++/ and inhibited by Ag$\^$++/, Hg$\^$++/.

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LncRNA PART1 Attenuates Myocardial Ischemia-Reperfusion Injury by Regulating TFAP2C/DUSP5 Axis via miR-302a-3p

  • Min Zeng;Xin Wei;Jinchao Zhou;Siqi Luo
    • Korean Circulation Journal
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    • v.54 no.5
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    • pp.233-252
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    • 2024
  • Background and Objectives: Myocardial ischemia-reperfusion injury (MIRI) refers to the damage of cardiac function caused by restoration of blood flow perfusion in ischemic myocardium. However, long non-coding RNA prostate androgen regulated transcript 1 (PART1)'s role in MIRI remain unclear. Methods: Immunofluorescence detected LC3 expression. Intermolecular relationships were verified by dual luciferase reporter assay. 3-(4,5-dimethylthiazol-2-yl)-2,5-diphenyltetrazolium bromide, flow cytometry and transferase-mediated dUTP nick-end labeling (TUNEL) assays analyzed cell viability and apoptosis. The release of lactate dehydrogenase was tested via enzyme-linked immunosorbent assay (ELISA). Left anterior descending coronary artery surgery induced a MIRI mouse model. Infarct area was detected by 2,3,5-triphenyltetrazolium chloride staining. Hematoxylin and eosin staining examined myocardial injury. ELISA evaluated myocardial marker (creatine kinase MB) level. Results: PART1 was decreased in hypoxia/reoxygenation (H/R) induced AC16 cells and MIRI mice. PART1 upregulation attenuated the increased levels of Bax, beclin-1 and the ratio of LC3II/I, and enhanced the decrease of Bcl-2 and p62 expression in H/R-treated cells. PART1 upregulation alleviated H/R-triggered autophagy and apoptosis via miR-302a-3p. Mechanically, PART1 targeted miR-302a-3p to upregulate transcription factor activating enhancer-binding protein 2C (TFAP2C). TFAP2C silencing reversed the protected effects of miR-302a-3p inhibitor on H/R treated AC16 cells. We further established TFAP2C combined to dual-specificity phosphatase 5 (DUSP5) promoter and activated DUSP5. TFAP2C upregulation suppressed H/R-stimulated autophagy and apoptosis through upregulating DUSP5. Overexpressed PART1 reduced myocardial infarction area and attenuated MIRI in mice. Conclusion: PART1 improved the autophagy and apoptosis in H/R-exposed AC16 cells through miR-302a-3p/TFAP2C/DUSP5 axis, which might provide novel targets for MIRI treatment.

The synthesis and crystal structure of $[({\eta}^5-Cp)Co]_2$(1,2-S,S-o-Carborane) $(C_{12}H_{20}B_{10}S_2Co_2)$ ($[({\eta}^5-Cp)Co]_2$ (1,2-S,S-o-Carborane) $(C_{12}H_{20}B_{10}S_2Co_2)$의 합성 및 결정구조)

  • Cho, Sung-Il
    • Journal of the Korean Crystal Growth and Crystal Technology
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    • v.18 no.2
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    • pp.62-67
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    • 2008
  • An Organometallic compound, $C_{12}H_{20}B_{10}S_2Co_2$, was synthesized from o-carborane, $Cp^*Co(S_2B_2B_{10}H_{10})$ and $BH_3{\cdot}THF$. The molecular structure of this complex has been determined by X-ray diffraction. Crystallographic data: monoclinic, space group Cc, a=15.981(4) ${\AA}$, b=15.478(17) ${\AA}$, c=12.0562(17) ${\AA}$, ${\beta}=115.063(16)^{\circ}$, Z=4, V=9683(4) ${\AA}^3$. The structure was solved by direct methods and refined by full-matrix leat-squares methods to give a model with a reliability factor R = 0.0630 for 9948 reflections.

Effect of Mutations of Five Conserved Histidine Residues in the Catalytic Subunit of the cbb3 Cytochrome c Oxidase on its Function

  • Oh Jeong-Il
    • Journal of Microbiology
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    • v.44 no.3
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    • pp.284-292
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    • 2006
  • The cbb3 cytochrome c oxidase has the dual function as a terminal oxidase and oxygen sensor in the photosynthetic bacterium, Rhodobacter sphaeroides. The cbb3 oxidase forms a signal transduction pathway together with the PrrBA two-component system that controls photosynthesis gene expression in response to changes in oxygen tension in the environment. Under aerobic conditions the cbb3 oxidase generates an inhibitory signal, which shifts the equilibrium of PrrB kinase/phosphatase activities towards the phosphatase mode. Photosynthesis genes are thereby turned off under aerobic conditions. The catalytic subunit (CcoN) of the R. sphaeroides cbb3 oxidase contains five histidine residues (H2l4, B233, H303, H320, and H444) that are conserved in all CcoN subunits of the cbb3 oxidase, but not in the catalytic subunits of other members of copper-heme superfamily oxidases. H214A mutation of CcoN affected neither catalytic activity nor sensory (signaling) function of the cbb3 oxidase, whereas H320A mutation led to almost complete loss of both catalytic activity and sensory function of the cbb3 oxidase. H233V and H444A mutations brought about the partial loss of catalytic activity and sensory function of the cbb3 oxidase. Interestingly, the H303A mutant form of the cbb3 oxidase retains the catalytic function as a cytochrome c oxidase as compared to the wild-type oxidase, while it is defective in signaling function as an oxygen sensor. H303 appears to be implicated in either signal sensing or generation of the inhibitory signal to the PrrBA two-component system.

Fabrication of a Pd/poly 3C-SiC Schottky diode hydrogensensor and its characteristics (Pd/다결정 3C-SiC 쇼트키 다이오드형 수소센서의 제작과 그 특성)

  • Chung, Gwiy-Sang;Ahn, Jeong-Hak
    • Journal of Sensor Science and Technology
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    • v.18 no.3
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    • pp.222-225
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    • 2009
  • This paper describes the fabrication and characteristics of Schottky micro hydrogen sensors for high temperatures by using polycrystalline(poly) 3C-SiC thin films grown on Si substrates with thermal oxide layer using APCVD. Pd/poly 3C-SiC Schottky diodes were made and evaluated by I-V and C-V measurements. Electric current density and barrier height voltage were $2{\times}10^{-3}A/cm^2$ and 0.58 eV, respectively. These devices could operate stably at about 400 $^{\circ}$. The characteristics of implemented sensors have been investigated in terms of sensitivity, linearity of response, response rate, and response time. Therefore, from these results, Pd/poly 3C-SiC Schottky devices have very high potential for high temperature $H_2$ sensor applications.

Comparison of the Quantitative Values of C-14 and C-13 UBT to Reflect the Presence and Degree of Ongoing Helicobacter pylori Infection (Helicobacter pylori 감염 유무와 정도 반영에 대한 C-14와 C-13 요소호기검사 정량치 비교)

  • Lim, Seok-Tae;Kim, Dong-Wook;Jeong, Hwan-Jeong;Sohn, Myung-Hee
    • Nuclear Medicine and Molecular Imaging
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    • v.42 no.3
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    • pp.229-234
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    • 2008
  • Purpose: A urea breath test (UBT) using C-14 or C-13 has been developed for identifying Helicobacter (H) pylori infection on the basis of urease production with release of labeled $CO_2$. We investigated if the C-14 and C-13 UBT have the difference to reflect the presence and degree of H. pylori infection detected by gastro-duodenoscopic biopsies (CBx) in the same patients. Materials and methods: Thirty eight patients (M:F = 28:10, age $53.4{\pm}13.0$ yrs) with upper gastrointestinal symptoms such as indigestion, gastric fullness or pain consecutively underwent C-14 UBT, GBx and C-13 UBT within one week before medications. For the C-14 UBT, a single breath sample was collected at 10 minutes after ingestion of C-14 urea (37 KBq) capsule and counting was done in a liquid scintillation counter for 1 minute, and the results were classified as positive (${\ge}$ 200 dpm), intermediate (50-199 dpm) or negative (50 dpm). For the C-13 UBT, the results were classified as positive (${\ge}2.5\%_{\circ}$) or negative ($<2.5\%_{\circ}$). The results of GBx with Giemsa stain were graded 0 (normal) to 4 (diffuse) according to the distribution of H. pylori by the Wyatt method. We compared C-14 UBT and C-13 UBT results with GBx grade as a gold standard. Results: The prevalence of H. pylori infection by GBx with Giemsa stain was 25/38 (65.8%). In the assessment of the presence of H. pylori infection, the C-14 UBT global performance yielded sensitivity, specificity, positive predictive value (PPV), negative predictive value (NPV) and accuracy of 92.0%, 92.3%, 95.8%, 91.7% and 92.1%, respectively. However, the C-13 UBT had sensitivity, specificity, PPV, NPV and accuracy of 96.0%, 84.6%, 92.3%, 91.7% and 92.1%, respectively. The more significant correlation in C-14 than C-13 UBT (r=0.948 vs r=0.819, p <0.001) was found between the value of UBT and the grade of distribution of H. pylori infection. Conclusion: We conclude that the diagnostic performance between C-14 and C-13 UBT to detect H. pylori infection is not significantly different, but the value of C-14 UBT more significantly reflects the degree of bacterial distribution.

Studies on Derivatives of 2,2′-Methylene bis (3,4,6-trichloroacetoxy benzene) Part 1. Synthesis and Antimicrobial Sensitivity (2,2-Methylene bis (3,4,6-trichloroacetoxy benzene) 유도체에 관한 연구 제 1보 합성 및 항균성)

  • Yoo, Ju-Hyun;Kim, Jong-Ho;Sa, Hye-Soon;Yoon, Hye-Jung;Yang, Yung;Kim, Yu-Sam
    • Microbiology and Biotechnology Letters
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    • v.1 no.1
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    • pp.51-57
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    • 1973
  • 2,2'-Methylene bis (3,4,6-trichloroacetoxy benzene) had been synthesized from Hexachlorophene. The eleven new derivatives -(2,2'Methylene bis [3,4,6-trichloro o-(${\beta}$-anilinopropionoxy) benzene]: m. p 173∼4$^{\circ}C$, C$\_$31/H$\_$24/N$_2$O$_4$Cl$\_$6/, 2,2' Methylene bis [3,4,6-trichloro (${\beta}$-Cyclohexylaminopropionoxy) benzene]: M. P, 187∼8$^{\circ}C$, C$\_$31/H$\_$36/N$_2$O$_4$Cl$\_$6/, 2,2'-Methylene bis [3,4,6-trichloro (${\beta}$-phenyl hydrazinopropionoxy) benzene]; M. P. 151∼3$^{\circ}C$, C$\_$33/H$\_$28/N$_2$O$_4$Cl$\_$6/, 2,2'-Methylene bis [3,4,6-trichloro (${\beta}$-o-toluidinopropionoxy) benzene]: M. P. 172∼3$^{\circ}C$, C$\_$33/H$\_$28/N$_2$O$_4$Cl$\_$6/, 2,2'-Methylene bis [3,4,6-trichloro (${\beta}$-p-todudinopropionoxy) benzene]: 153∼4$^{\circ}C$, C$\_$33/H$\_$28/N$_2$O$_4$Cl$\_$6/, 2,2'-Methylene bis [3,4,6-trichloro (${\beta}$-o-chloro anilinopropionoxy) benzene]: 170∼2$^{\circ}C$, C$\_$31/H$\_$27/N$_2$O$_4$Cl$\_$8/, 2,2'-Methylene bis [3,4,6-trichloro (${\beta}$-p-sulfamilinopropionoxy) bengene]: M. P. 310-5$^{\circ}C$, C$\_$31/H$\_$24/N$_2$S$_2$O$\_$10/Cl$\_$8/, 2,2'-Methylene bis [3,4,6-trichloro (${\beta}$-piperidinopropionoxy) benzene]: M. P. 168∼2$^{\circ}C$, C$\_$29/H$\_$32/N$_2$O$_4$Cl$\_$6/, 2,2'-Methylene bis (3,4,6-trichloro (${\beta}$-morpholinopropionoxy) benzene]: M. P. 226∼8$^{\circ}C$, C$\_$27/H$\_$28/N$_2$O$\_$6/Cl$\_$6/, 2,2'-Methylene bis (3,4,6-trichloro (${\beta}$-2-amino pyridino propionoxy) benzene]; M. P. 145∼6$^{\circ}C$, C$\_$29/H$\_$22/N$_4$O$_4$Cl$\_$5/-were synthesized by Mannichs reaction as potential antimicrobial agents and their antimicrobial activity were tested against Bacillus subtilis, Pseudomonas ovalis, Escherichia coli, Staphylococcus aureus, aerogenes, Bacillus Acerobacter Polymyxa, Bacillus brevis, Streptomyces griseus, Candida troficalis, Rhodotorula glutinis, Candida utilis, Hansenula anamola, Saccharomyces cerevisiae in vitro. Among them, compounds of benzylamine and p-toludine showed an effective antimibrobial activity againt Bacillus subtilis and Pseudomonas ovalis.

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The Complexes of Fluorobenzene with Halogens and Interhalogens in Carbon Tetrachloride (플루오로벤젠과 할로겐 또는 할로겐間化合物 사이의 錯物에 관한 연구)

  • Choi, Sang-Up;Han, Bong-Joo
    • Journal of the Korean Chemical Society
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    • v.11 no.3
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    • pp.89-93
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    • 1967
  • The interactions of fluorobenzene with iodine monochloride, iodine monobromide, bromine and chlorine in carbon tetrachloride solution have been examined through ultraviolet spectrophotometric measurements. The results indicate the formation of one to one molecular complexes, $C_6H_5F{\cdot}ICl$, $C_6H_5F{\cdot}IBr$, $C_6H_5F{\cdot}Br_2$, and $C_6H_5F{\cdot}Cl_2$ in solution. The equilibrium constants obtained at room temperature for the formation of these four complexes are 0.161, 0.072, 0.045 and 0.035 l $mole^{-1}$, respectively. Comparison of these results with those reported in the literature on other complexes of similar type reveals that the relative stabilities of these complexes decrease in the following orders: ICl>IBr>$I_2$>$Br_2$>$Cl_2$ $C_6H_6$>$C_6H_5Br$>$C_6H_5Cl$>$C_6H_5F$

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