• Title/Summary/Keyword: SCF

Search Result 243, Processing Time 0.027 seconds

Ortho-normalized Slater-type Orbitals

  • Jee, Jong-Gi
    • Bulletin of the Korean Chemical Society
    • /
    • v.6 no.5
    • /
    • pp.264-266
    • /
    • 1985
  • Orthogonalized Slater-type orbitals and Ortho-normalized Slater-type orbitals were derived from the conventional Slater-type orbitals (STO's) by use of the continuous orthonormalizing which is expanded from the Schmidt's orthogonalizing procedure. These orbitals have the merits which STO's have not, such as; they are ortho-normalized each other and have the same numbers of the radial nodes that the real hydrogenlike wave functions do, so that they must be a good basis functions of LCAO MO procedures, i.e., the best approximate representation of SCF method.

Excited States of Photoreceptor Molecules (I). Peridinin (광합성 에너지 수용색소 분자의 Excited States (第1報) Peridinin)

  • Pill-Soon Song;Tae Young Lee
    • Journal of the Korean Chemical Society
    • /
    • v.23 no.5
    • /
    • pp.314-319
    • /
    • 1979
  • The electronic spectrum of marine dinoflagellate antenna pigment, peridinin, has been described in terms of PPP SCF MO CI computations and fluorescence polarization of the peridinin component in photosynthetic pigment complex of Amphidinium carterae. The main absorption band at 470 nm, $^1B{\leftarrow}A$, is polarized nearly along the long molecular axis. There appear to be two ${\pi}{\rightarrow}{\pi}^*$ transitions (C and $D{\leftarrow}A$) in the socalled "cis" peak region, and they are polarized roughly parallel to the main $B{\leftarrow}A$ absorption. In addition, we have found that the carbonyl group undergoes very 1ittle reorganization of the electronic structure in going from the ground to the $^1B$ excited states of peridinin, while the allenic group shows a strong charge transfer tendency in producing an electron-deficient allente allene group in the excited state.

  • PDF

Analysis of Cytokine and Hormone on Sasang constitution (사상체질별 Cytokine 및 Hormone 분석)

  • Choi, Sun-Mi;Kim, Min-Hee;Chi, Sang-En;Kim, Hee-Soo;Sung, Hyun-Jea;Shin, Min-Kyu
    • Korean Journal of Oriental Medicine
    • /
    • v.5 no.1
    • /
    • pp.73-79
    • /
    • 1999
  • In this research we proceeded experiments to find the basis which make it possible to explain the physical and pathological process of Sasang constitutional medicine, in the way substituting hematopoietic-immune system(essence of life, blood, Ki and mental faculties : 精血氣神) Under these suppositions, the essence of life(精) is the multipotent stem cell which has the possibility to be specialized to any cell, the Ki(氣), blood(血) and mental faculties(神) are inferred that they are formed from specialized the essence of life(精), the blood(血) is the red blood cells and etc. that appears as the result of the genesis of circulation system. The Ki(氣) is from specialized basic immunity, the mental faculties(神) means long-term memories or combined immunity. Cytokines can act as specilaizing, growing factors and particiate in extremly combined procedure being controlled by both positive and negative specializing signals. Blood gathering was carried out in the morning and on empty stomach. The plasma was seperated and Erythropoietin, Stem cell factor, Granulocyte-colony stimulaing factor, Tumor necrosis factor, interlukin-3, Interleukin-6 were measured with ELISA kit. According to the result of post analysis by Duncan, each constitution is different in SCF(stem cell factor), IL-6(interleukin-6), EPO(erythropoietin). The value of Stem cell factor is high in order of Soumin(少陰人), Soyangin(少陽人), and Taeumin(太陰人), The value of interleukin-6 is high in Taeumin, Soumin, and Soyangin. Erythropoietin is high in order of Soumin, Soyangin, and Taeumin.

  • PDF

Enhancing effect of Canavalia gladiata DC semen on the hematopoietic expansion and function of stem cells (도두(刀豆)의 조혈증진 작용에 관한 연구)

  • Kim, Seung-Hyung;Kim, Kun-Hoae;Chi, Gyeong-Yup;Cho, In-Sik;Kim, Han-Young;Lee, Young-Cheol
    • The Korea Journal of Herbology
    • /
    • v.27 no.4
    • /
    • pp.9-16
    • /
    • 2012
  • Objective : Canavalia gladiata DC semen (CGS) have been used to improve hematopoietic activity. In the current study, we investigated whether CGS regulate hemato-potentiating function using hematopoietic stem cells (HSCs) as a testing system. Methods : HSCs isolated from femur in mice with leukopenia and thrombocytopenia induced induced by CTX. Then, Real-time PCR was performed to measure the mRNA expression and hematopoietic related gene (EPO, IL-3, SCF, c-kit, GM-CSF), the phoaphorylation of GATA-1 and STAT-5a/b were observed by ELISA method, and the number of granulocyte erythrocyte monocyte macrophage colony-forming units (CFU-GEMM) and erythroid burst forming units (BFU-E), semisolid clonogenic assay was performed. Result : When HSCs were treated with CGS, the expression of hematopoietic related genes (EPO, IL-3, SCF, c-kit, and GM-CSF) were significantly increased at the levels of mRNA as well as production in HSCs. Additionally, CGS enhanced phosphorylation of STAT-1 and signal transducer and activator of transcription-5a/b (STAT-5a/b) in HSCs. Furthermore, CGS significantly enhanced the growth rate of granulocyte erythrocyte monocyte macrophage colony-forming units (CFU-GEMM) and erythroid burst forming units (BFU-E) in vitro. Conclusion : These result suggest that CGS has hematopoietic enhancement via hematopoietic cytokine-mediated GATA-1/STAT-5a/b pathway.

On the Rotational Barrier of Organic Molecules (I). Role of Axial Carbon in Ethane (유기분자의 내부 회전장벽에 관한 이론적 연구 (제1보). 에탄에서의 중심 탄소의 역할)

  • Young Sik Kim;Hojing Kim
    • Journal of the Korean Chemical Society
    • /
    • v.26 no.3
    • /
    • pp.117-127
    • /
    • 1982
  • In order to analyze the role of axial carbon atoms in rotational barrier of ethane, we take the carbonless ethane, as a model, which is made of six hydrogens in coordinates of ethane. The energy of the system is calculated by McWeeny's open-shell restricted Hartree-Foch selfconsistent-field (RHF-SCF) method, and the transition density on the staggered-to-eclipsed rotation is examined. As being expected, the eclipsed form of the model is more stable than the staggered one. Through the transition density comparison of this model and real ethane, it is found that the existence of the axial carbon atoms induces the electronic density to be diluted in the vicinity of protonic sites and to be attracted to the region of carbon atoms or further to C-C bond region as the barrier is traversed. This migration of electronic charge tell us that the barrier to the internal rotation of ethane originates from the fact that the magnitude of electronic energy depression is not large enough to offset the increased nuclear-nuclear repulsion on the staggered-to-eclipsed rotation.

  • PDF

Ab Initio Studies on the $(HF)_2(CO)$ Trimers ($(HF)_2(CO)$ 분자착물에 관한 Ab Initio 연구)

  • Kim, Seung Hoon
    • Journal of the Korean Chemical Society
    • /
    • v.42 no.6
    • /
    • pp.629-637
    • /
    • 1998
  • The HF-SCF, MP2 and B3LYP calculations have been performed on the two conceivable clusters $(HF)_2(CO)$ trimers as well as their dimer complexes FH…FH, FH…CO and FH…OC applying $6-31+G^{\ast}^{\ast}$, and $6-311+G^{\ast}^{\ast}$ basis sets. A variety of ground state properties of these trimer complexes have been listed, and compared with corresponding properties of isolated monomers and combined dimers. It was calculated that FH…CO is more stable than FH…OC by average 0.85 kcal/mol and F-H…F-H…C≡O is more stable than F-H…F-H…O≡C by 1-2 kcal/mol. The C≡O stretching bands of the F-H…F-H…C≡O and F-H…F-H…O≡C were red shifted by 24, $37\;cm^{-1}$ compared with the FH…CO and FH…OC respectively. Also, H-F stretching bands were red shifted by 54 and $353\;cm^{-1}$.

  • PDF

Effects of the Loading Rate and Humidity in the Fracture Toughness Testing of Alumina

  • Cho, Seong-Jai;Kim, Jai-Chun;Yoon, Kyung-Jin;Chu, Min-Cheol;Lee, Yoon-Cheol;Quinn George;Lee, Hong-Lim
    • Journal of the Korean Ceramic Society
    • /
    • v.43 no.1 s.284
    • /
    • pp.4-9
    • /
    • 2006
  • To test the fracture toughness of alumina; a Surface-Crack-in-Flexure (SCF) method, a Single-Edge-Precracked-Beam (SEPB) method and a Single-Edge-V-Notched-Beam (SEVNB) method were used at crosshead rates ranging from 0.005 mm/min to 2 mm/ min and relative humidity ranging from $15\%\;to\;80\%$. The results show that the fracture toughness tested by the SCF method increases with either an increasing loading rate or decreasing relative humidity; in contrast, the toughness by the SEPB method and the SEVNB method does not depend on the loading rate or the relative humidity. Theoretical analysis of the way slow crack growth affects the apparent fracture toughness indicates that the three testing methods have different effects with respect to the loading rate and the relative humidity; moreover, these differences are attributable to differences in the size of the cracks or notches.

Action Mechanism of Chamaecyparis obtusa Oil on Hair Growth

  • Park, Young-Ok;Kim, Su-Eun;Kim, Young-Chul
    • Toxicological Research
    • /
    • v.29 no.4
    • /
    • pp.241-247
    • /
    • 2013
  • This study was carried out to examine the action mechanism of Chamaecyparis obtusa oil (CO) on hair growth in C57BL/6 mice. For alkaline phosphatase (ALP) and ${\gamma}$-glutamyl transpeptidase (${\gamma}$-GT) activities in the skin tissue, at week 4, the 3% minoxidil (MXD) and 3% CO treatment groups showed an ALP activity that was significantly higher by 85% (p < 0.001) and 48% (p < 0.05) and an ${\gamma}$-GT activity that was significantly higher by 294% (p < 0.01) and 254% (p < 0.05) respectively, as compared to the saline (SA) treatment group. For insulin-like growth factor-1 (IGF-1) mRNA expression in the skin tissue, at week 4, the MXD and CO groups showed a significantly higher expression by 204% (p < 0.05) and 426% (p < 0.01) respectively, as compared to the SA group. At week 4, vascular endothelial growth factor (VEGF) expression in the MXD and CO groups showed a significantly higher expression by 74% and 96% (p < 0.05) respectively, however, epidermal growth factor (EGF) expression in the MXD and CO groups showed a significantly lower expression by 66% and 61% (p < 0.05) respectively, as compared to the SA group. Stem cell factor (SCF) expression in the MXD and CO groups was observed by immunohis-tochemistry as significant in a part of the bulge around the hair follicle and in a part of the basal layer of the epidermis. Taking all the results together, on the basis of effects on ALP and ${\gamma}$-GT activity, and the expression of IGF-1, VEGF and SCF, which are related to the promotion of hair growth, it can be concluded that CO induced a proliferation and division of hair follicle cells and maintained the anagen phase. Because EGF expression was decreased significantly, CO could delay the transition to the catagen phase.

Characterization of a Putative F-box Motif in Ibd1p/Bfalp, a Spindle Checkpoint Regulator of Budding Yeast Saccharomyces cerevisiae

  • Lee, Kyum-Jung;Hyung-Seo;Kiwon Song
    • Journal of Microbiology
    • /
    • v.39 no.4
    • /
    • pp.286-292
    • /
    • 2001
  • During mitosis. the proper segregation of duplicated chromosomes is corrdinated by a spindle check-point. The bifurcated spindle checkpoint blocks cell cycle progression at metaphase by monitoring unattached kinetochores and inhibits mitotic exit in response to the misorientation of the mitotic spin- dle Ibd1p/Bfa1p is a spindle checkpoint regulator of budding yeast in the Bub2p checkpoint pathway for mitotic exit and its disruption abolishes mitotic arrest when proper organization of the mitotic spin-dls inhibited. Ibd1p/Bfa1p localizes to the spindle pole body, a microtublue-organizing center in yeast, and its overexpression arrests the cell cycle in 80% of cells with an enlarged budy at mitosis and in 20 % of cells with multiple buds. In this study, we found that the C-terminus of Ibd1p/Bfa1p phys-ically interacts with Skp1p, a key component of SCF (Skp1/cullin/F-box) complex for ubiquition-medi-ated proteolysis of cel cycle regulatores as well as an evolutionally conserved kinetochore protein for cell cycle progression. A putative F-box motif was found in the C-terminus of Ibd1p/Bfa1p and its function was investigated by making mutants of conserved residues in the motif. These Ibd1p/Bfa1p mutants of a putative F-box interacted with SKp1p in vitro by two-hybrid assays as wild type Ibd1p/Bfa1p. Also these Ibd1p/Bfa1p utants displayed the overexpression phenotypes of wild type Ibd1p, when over-expressed under inducible promoters . These results suggest that a putative F-box motif of Ibd1p/Bfa1p is not essential for the interaction with SKp1p and its function in mitotic exit and cytokinesis.

  • PDF

Effect of Hydro-meteorological and Surface Conditions on Variations in the Frequency of Asian Dust Events

  • Ryu, Jae-Hyun;Hong, Sungwook;Lyu, Sang Jin;Chung, Chu-Yong;Shi, Inchul;Cho, Jaeil
    • Korean Journal of Remote Sensing
    • /
    • v.34 no.1
    • /
    • pp.25-43
    • /
    • 2018
  • The effects of hydro-meteorological and surface variables on the frequency of Asian dust events (FAE) were investigated using ground station and satellite-based data. Present weather codes 7, 8, and 9 derived from surface synoptic observations (SYNOP)were used for counting FAE. Surface wind speed (SWS), air temperature (Ta), relative humidity (RH), and precipitation were analyzed as hydro-meteorological variables for FAE. The Normalized Difference Vegetation Index (NDVI), land surface temperature (LST), and snow cover fraction (SCF) were used to consider the effects of surface variables on FAE. The relationships between FAE and hydro-meteorological variables were analyzed using Z-score and empirical orthogonal function (EOF) analysis. Although all variables expressed the change of FAE, the degrees of expression were different. SWS, LST, and Ta (indices applicable when Z-score was < 0) explained about 63.01, 58.00, and 56.17% of the FAE,respectively. For NDVI, precipitation, and RH, Asian dust events occurred with a frequency of about 55.38, 67.37, and 62.87% when the Z-scores were > 0. EOF analysis for the FAE showed the seasonal cycle, change pattern, and surface influences related to dryness condition for the FAE. The intensity of SWS was the main cause for change of FAE, but surface variables such as LST, SCF, and NDVI also were expressed because wet surface conditions suppress FAE. These results demonstrate that not only SWS and precipitation, but also surface variables, are important and useful precursors for monitoring Asian dust events.