• Bulletin of the Korean Chemical Society
• /
• v.33 no.4
• /
• pp.1165-1169
• /
• 2012

The fluorescence intensity of DNA-intercalated ethidium with [ethidium]/[DNA base] being 0.005 was quenched upon the binding of another intercalating ligand, meso-tetrakis(N-methylpyridinium-4-yl)porphyrin (TMPyP). Addition of $Ca^{2+}$ enhanced the quenching efficiency. The range of separations between donor and acceptor molecules, within which total quenching occurs, was calculated using a one-dimensional resonance energy transfer mechanism to be 9.5 base-pairs or $32.3{\AA}$ in the absence of $Ca^{2+}$ ions. The distance increased to 18.7 base-pairs or about $63.6{\AA}$ in the presence $100{\mu}M$ $Ca^{2+}$. Considering that (1) $Ca^{2+}$ had little effect on the binding modes of ethidium and TMPyP, which was investigated by reduced linear dichroism and (2) spectral overlap between the emission spectrum of ethidium and the absorption spectrum of TMPyP was maintained in the presence of $Ca^{2+}$, contributions from orientation factor and spectral overlap to $Ca^{2+}$-induced enhancement in DNA mediated energy transfer was limited. Although there is no direct evidence, electron transfer along the DNA stem may accompany the observed fluorescence quenching. In this respect, DNA bound $Ca^{2+}$ act as a partially conducting medium.

• Molecules and Cells
• /
• v.44 no.5
• /
• pp.310-317
• /
• 2021

Cluster of differentiation 1 (CD1) is a family of cell-surface glycoproteins that present lipid antigens to T cells. Humans have five CD1 isoforms. CD1a is distinguished by the small volume of its antigen-binding groove and its stunted A' pocket, its high and exclusive expression on Langerhans cells, and its localization in the early endosomal and recycling intracellular trafficking compartments. Its ligands originate from self or foreign sources. There are three modes by which the T-cell receptors of CD1a-restricted T cells interact with the CD1a:lipid complex: they bind to both the CD1a surface and the antigen or to only CD1a itself, which activates the T cell, or they are unable to bind because of bulky motifs protruding from the antigen-binding groove, which might inhibit autoreactive T-cell activation. Recently, several studies have shown that by producing T_H2 or T_H17 cytokines, CD1a-restricted T cells contribute to inflammatory skin disorders, including atopic dermatitis, psoriasis, allergic contact dermatitis, and wasp/bee venom allergy. They may also participate in other diseases, including pulmonary disorders and cancer, because CD1a-expressing dendritic cells are also located in non-skin tissues. In this mini-review, we discuss the current knowledge regarding the biology of CD1a-reactive T cells and their potential roles in disease.

• Journal of Photoscience
• /
• v.9 no.2
• /
• pp.376-378
• /
• 2002

Role of cl$^{[-10]}$ in photosynthetic oxygen-evolving complex was studied by light-induced Fourier transform infrared (FTIR) spectroscopy. cl$^{[-10]}$ depletion resulted in the suppression of amide I and amide II IR modes upon S$_1$ to S$_2$ transition. Br$^{[-10]}$ , 1$^{[-10]}$ and N0$_3$$^{[-10]}$ substituted FTIR difference spectra were very similar to that in cl$^{[-10]}$ reconstitution. F$^{[-10]}$ and $CH_3$COO$^{[-10]}$ substituted spectra were largely distorted. We succeeded in detecting the structural change of N0$_3$ $^{[-10]}$ in the cl$^{[-10]}$ site upon the S$_1$ to S$_2$ transition from $^{14}$ N0$_3$$^{[-10]}$ /$^{15}$ N0$_3$$^{[-10]}$ difference spectrum.

• Bulletin of the Korean Chemical Society
• /
• v.32 no.5
• /
• pp.1685-1691
• /
• 2011

The molecular structures of thiacalix[4]biscrown-5 (1) and p-tert-butylthiacalix[4]biscrown-5 (2) and their alkali-metal-ion complexes were optimized using the DFT BLYP/6-31G(d) and mPW1PW91/6-31G(d,p) (hybrid HF-DF) calculations. The total electronic energies, the normal vibrational modes, and the Gibbs free energies of the mono- and di-topic complexes of each host with the sodium and potassium ions were analyzed. The $K^+$-complexes exhibited relatively stronger binding efficiencies than $Na^+$-complexes for both the monoand di-topic complexes of 1 and 2 comparing the efficiencies of the sodium and potassium complexes with an anisole and phenol. The mPW1PW91/6-31G(d,p) calculated distances between the oxygen atoms and the alkali metal ions were reported in the alkali-metal-ion complexes ($1{\cdot}Na^+$, $1{\cdot}2Na^+$, $1{\cdot}K^+$, $1{\cdot}2K^+$, $2{\cdot}Na^+$, $2{\cdot}Na^+$, $2{\cdot}K^+$, $2{\cdot}2K^+$). The BLYP/6-31G(d) calculated IR spectra of the host 1 and its mono-topic alkali-metal-ion complexes are compared.

• Journal of the Korean Society of Safety
• /
• v.24 no.3
• /
• pp.39-46
• /
• 2009

A recent and promising method for shear strengthening of reinforced concrete(RC) members is the use of near surface mounted(NSM) fiber reinforced polymer(FRP) reinforcement. In the NSM method, the reinforcement is embedded in grooves cut onto the surface of the member to be strengthened and filled with an appropriate binding agent such as epoxy paste or cement grout. This paper illustrates a research program on shear strengthening of RC beams with NSM channel-type FRP beams which is developed in this study. The objective of this study is to clarify the role of channel-type FRP beam embedded to the beam web for shear strengthening of reinforced concrete beams. Included in the study are effectiveness in terms of spacing and angle of channel-type FRP beams, strengthening method, and shear span ratio. the study also aims to understand the additional shear capacity due to glass fiber reinforced polymer beams and carbon reinforced polymer beams. And anther objective is to study the failure modes, shear strengthening effect on ultimate force and load deflection behavior of RC beams embedded with channel-type FRP beams on the shear region of the beams.

• Proceedings of the Korean Vacuum Society Conference
• /
• 2014.02a
• /
• pp.297.2-297.2
• /
• 2014

Strong exciton-photon coupling in microcavities have generated an intense research effort since quasiparticles called exciton polaritons are produced and shows interesting phenomena. Most of studies have been done with GaAs based microcavities at cryogenic temperature. Recently, GaN material which has large exciton binding energy and oscillator strength has much attention because strong coupling between photon and exciton could be realized at room temperature. However, fabrication of high quality microcavity using GaN is challengeable due to the large mismatch between the lattice and the thermal expansion coefficient in GaN based distributed Bragg mirror. Here, we observed strong coupling regime of exciton-photon in GaN micro-rods which were grown by metalorganic vapour phase epitaxy (MOCVD) on Si substrate. Owing to the hexagonal cross-section of micro-rod, whispering gallery modes of photon are naturally formed and could be coupled with exciton in GaN. Using angle-resolved micro-photoluminescence measurement, exciton polariton dispersion curves were directly observed from GaN micro-rod. We expect room temperature exciton polariton condensation could be realized in high quality GaN micro-rod.

• Food Science and Biotechnology
• /
• v.14 no.6
• /
• pp.854-859
• /
• 2005

Although action modes of equol and genistein have been extensively studied, their precise roles in tumor cells remain elusive. To address possible effects of these compounds on protein expression in mammary tumor cells, proteins modulated in MCF-7 mammary tumor cells when incubated in absence and presence of 10 uM equol or genistein were identified through 2-dimensional gel electrophoresis, MALDI-TOF MS/MS, and NCBInr database search using Mascot software. Most proteins differentially expressed in MCF-7 cells after treatment with 10 uM genistein or equol were identified as being the same. Exposure to both compounds caused decreased cellular expression of RNA-binding protein regulatory subunit and oncogene DJ1 tubulin beta-1 chain, and increased expression of heterogeneous ribonucleoproteins F and L, KH-type splicing regulatory protein, and translation elongation factor EF-Tu precursor. Genistein and equol at dose used in this study showed common action mechanism.

• Bulletin of the Korean Chemical Society
• /
• v.34 no.4
• /
• pp.1051-1054
• /
• 2013

Closo-carborane has been considered as an efficient boron-carrier for boron neutron capture therapy (BNCT) and an attractive surrogate of lipophilic phenyl or cyclohexyl ring in drug design. Despite a great number of carborane-containing ligands have been synthesized and evaluated, molecular modeling studies of carborane ligands with macromolecules have been rarely reported. We herein describe a facile docking and scoring-function strategy of 16 carborane ligands with an estrogen receptor by using the commercial Gaussian, Chem3D Pro and Discovery Studio (DS) computational programs. Docked poses of the carborane ligands in silico exhibited similar binding modes to that of the crystal ligand in the active site of estrogen receptor. Score analysis of the best docked pose for each ligand indicated that the Ligscore1 and the Dockscore have a moderate correlation with in vitro biological activity. This is the first report on the scoring-correlation studies of carborane ligands with macromolecules. The integrated Gaussian-DS approach has a potential application for virtual screening, De novo design, and optimization of carborane ligands in medicinal chemistry.

• Bulletin of the Korean Chemical Society
• /
• v.30 no.6
• /
• pp.1313-1316
• /
• 2009

Cdc25 phosphatases have been considered as attractive drug targets for anticancer therapy due to the correlation of their overexpression with a wide variety of cancers. We have been able to identify five novel Cdc25 phosphatase inhibitors with micromolar activity by means of a structure-based de novo design method with a known inhibitor scaffold. Because the newly discovered inhibitors are structurally diverse and have desirable physicochemical properties as a drug candidate, they deserve further investigation as anticancer drugs. The differences in binding modes of the identified inhibitors in the active sites of Cdc25A and B are addressed in detail.

• Bulletin of the Korean Chemical Society
• /
• v.28 no.6
• /
• pp.959-964
• /
• 2007

The benzene complexes with dimethyl sulfur (DMS) and fluorinated DMS (FDMS) have been investigated using ab initio calculations. The natural bond orbital (NBO) charge population on S atom varies remarkably for different conformations of DMS and FDMS, which determines the possible binding modes for their benzene complexes. The electronegative substituent at the methyl group of DMS causes a significant change in the molecular electrostatic potential around the sulfur atom and changes the interaction mode with aromatic ring. It was found that the sulfur…π interaction mode does not occur in the DMS-benzene complex, while it does in the FDMS-benzene complex. Both B3LYP and MP2 methods provide reliable structures, while the interaction energy obtained by B3LYP is unreliable.