• Bulletin of the Korean Chemical Society
• /
• v.22 no.9
• /
• pp.979-983
• /
• 2001

Thermoanaerobacter ethanolicus is a strictly anaerobic and thermophilic bacterium whose optimum temperature ranges over $65-68^{\circ}C.$ T. ethanolicus was known to contain a bipolar very long chain fatty acyl component such as $\alpha$, $\omega-1316-dimethyloctacosanedioate$, as one of the major membrane components. However, exact physiological role of this unusual component in the membrane remains unknown. Such a very long chain fatty acyl component, $\alpha$, ${\omega}-1316-dimethyloctacosanedioate$, dimethyl ester (DME C30), was isolated, and purified from the membrane of T. ethanolicus. As a function of added concentrations of the $\alpha$, $\omega-1316-dimethyloctacosanedioate$, dimethyl ester (DME C30) or cholesterol into the standard liposomes, the acyl chain ordering effect was investigated by the steady-state anisotropy with 1,6-diphenyl-1,3,5-hexatriene (DPH) as a fluorescent probe. Acyl chain order parameter (S) of vesicles containing DME C30 is higher comparing with phosphatidylcholine (PC) only vesicles. This result was discussed thermodynamically with the aid of the simulated annealing molecular dynamics simulations. Through the investigation of all the possible conformational changes of DME C30 or cholesterol, we showed that DME C30 is very flexible and its conformation is variable depending on the temperature comparing with cholesterol, which is rigid and restricted at overall temperature. We propose that the conformational change of DME C30, not the configurational change, may be involved in the regulation of the membrane fluidity against the changes of external temperature.

• Journal of the Korean Graphic Arts Communication Society
• /
• v.14 no.1
• /
• pp.47-54
• /
• 1996

Deuterium NMR studies have been carried out for two kinds of main- chain dimer liquid crystals $\alpha$.$\omega$-bis[(4,4`-cyanobipheny0oxy] alkane (CBA-n, n=9,100.The H-NMR spectra were recorded on a JEOP JNM-GSX-500 spectrometer by using deuterium labelled CBA-n at various temperatures. The RIS analysis of the NMR spectra was performed so as to elucidate the conformational characteristics of the spacer in the nematic phase. Following the previous treatment, the single-ordering-matrix model was adopted, in which the molecular axis was defined parallel to the line connecting the centers of the terminal mesogenic cores. Conformer fractions of the spacer were estimated by simulation so as to reproduce the observed NMR profile. The conformational entropy changes at both CN and NI interphases were estimated on the basis of the nematic conformations taken from the conformation map as well as those derived from the simulation. In these calculations the spacer was assumed th by in the all-trans conformation and in the random coil stats in the crystal and isotropic phases respectively. The esimated conformational entropy change values were then compared with the corresponding constant-volume entropies obtained from PVT measurements. The correspondence between both entropy values was found to be quite good in consideration of the uncertainties involved in both experiment and calculations.

• Journal of the Korean Magnetics Society
• /
• v.26 no.4
• /
• pp.119-123
• /
• 2016

We have studied electronic and magnetic structure of cubane-type Cu magnetic molecule using density functional method. The calculated density of states show that Cu has 3d $x^2-y^2$ hole orbital because of short distances between Cu atom and in-plane 4 ligand atoms. The calculated total energy with in-plane antiferromagnetic spin configuration is lower than those of ferromagnetic configurations. The calculated exchange interaction J between in-plane Cu atoms is much larger than those between out-plane Cu atoms, since the $x^2-y^2$ hole orbital ordering of Cu 3d orbitals induces strong super-exchange interaction between in-plane Cu atoms.

• Bulletin of the Korean Chemical Society
• /
• v.33 no.11
• /
• pp.3719-3726
• /
• 2012

Formation of Z-DNA, a left-handed double helix, from B-DNA, the canonical right-handed double helix, occurs during important biological processes such as gene expression and DNA transcription. Such B-Z transitions can also be induced by high salt concentration in vitro, but the changes in the relative stability of B-DNA and Z-DNA with salt concentration have not been fully explained despite numerous attempts. For example, electrostatic effects alone could not account for salt-induced B-Z transitions in previous studies. In this paper, we propose that the B-Z transition can be explained if counterion entropy is considered along with the electrostatic interactions. This can be achieved by conducting all-atom, explicit-solvent MD simulations followed by MM-PBSA and molecular DFT calculations. Our MD simulations show that counterions tend to bind at specific sites in B-DNA and Z-DNA, and that more ions cluster near Z-DNA than near B-DNA. Moreover, the difference in counterion ordering near B-DNA and Z-DNA is larger at a low salt concentration than at a high concentration. The results imply that the exclusion of counterions by Z-DNA-binding proteins may facilitate Z-DNA formation under physiological conditions.

• The Transactions of the Korean Institute of Electrical Engineers C
• /
• v.48 no.5
• /
• pp.379-384
• /
• 1999

Langmuir-Blodgett(LB) films which have high ordered orientation and ordering structure are fabricated by LB method which deposit the ultra-thin films of organic materials at a molecular level. The electrical characteristics of stearic acid LB ultra-thin films for the horizontal direction were investigated to develop the gas sensor using LB ultra-thin films. The optimal deposition condition to deposit the LB ultra-thin films was obtained from $\pi-A$ isotherms and the deposition status of stearic acid LB ultra-thin films was verified by the measurement of deposition ratio, UV-absorbance, and electrical properties for LB ultra-thin films. The conductivity of stearic acid LB ultra-thin films for horizontal direction was about $10_{-8}[S/cm]$. The activation energy for LB ultra-thin films with respect to variation of temperature was about 1.0[eV], which was correspond to semiconductor material. The response characteristics for organic gas were confirmed by measuring the response time, recovery time, and reproducibility of the LB ultra-thin to each organic gas. Also, the penetration and adsorption behavior of gas molecule were confirmed through the organic gas response characteristics of LB ultra-thin films with respect to temperature.

• Applied Chemistry for Engineering
• /
• v.17 no.6
• /
• pp.591-596
• /
• 2006

Topology and molecular ordering of NPD(4,4'-bis-[N-(1-naphthyl)-N-phenyl-amino]biphenyl) thin films deposited under magnetic field with post-deposition annealing were investigated. NPD was deposited onto ITO glass substrates via thermal evaporation process in vacuum. It is of great importance for highly oriented organic/metal films to have improved device performances such as higher current density and luminance efficiency. AFM (Atomic Force Microscope) and XRD (X-Ray Diffraction) analyses were used to characterize the topology and structure of oriented NPD films. The multi-source meter was used to observe the current-voltage characteristics of the ITO (Indium-Tin Oxide) / NPD (4,4'bis[N-(1-napthyl)-N-phenyl-amino]-biphenyl) / Al (Aluminum) device. While NPD thin films deposited under magnetic field were not molecularly well aligned according to the XRD results, the films after post-deposition annealing at $130^{\circ}C$ were well-oriented. AFM images show that NPD thin films deposited under magnetic field had a smoother surface than those deposited without magnetic field. The current-voltage performance of NPD thin films was improved due to the enhanced electron mobility in the well-aligned NPD films.

• Bulletin of the Korean Chemical Society
• /
• v.28 no.12
• /
• pp.2241-2247
• /
• 2007

A new series of chiral bent-shaped liquid crystals with an asymmetric central core based on 1,6- dihydroxynaphthalene and chiral terminal chain prepared from (S)-(?)-2-methyl-1-butanol, 1,6-naphthalene bis[4-(4-alkoxyphenyliminomethyl)]benzoates [N(1,6)-n-O-PIMB(n-2)*-(n-4)O (n = 8-11)] were synthesized. Their mesomorphic properties and phase structures were investigated by means of electro-optical, polarization reversal current, and second harmonic generation measurements in order to confirm the relationship between the molecular structure and phase structure. All odd n (n = 9 and 11) compounds, N(1,6)-9-O-PIMB7*-5O and N(1,6)-11-O-PIMB9*-7O exhibit antiferroelectric phase, whereas even n (n = 8 and 10) compounds was flexible, N(1,6)-10-O-PIMB8*-6O exhibits the ferroelectric phase but N(1,6)-8-O-PIMB6*-4O exhibits the antiferroelectric phase. These results come from the decrease of the closed packing efficiency within a layer and the lack of uniform interlayer interaction between adjacent layers, which were caused by the asymmetrical naphthalene central core. Thus, we concluded that the structure of central core as well as the terminal chain plays an important role for the emergence of particular polar ordering in phase structures.

• BMB Reports
• /
• v.33 no.3
• /
• pp.279-284
• /
• 2000

Using fluorescence probes, 2-(9-anthroyloxy) stearic acid (2- AS) and 12-(9-anthroyloxy) stearic acid (12-AS), we determined the differential effects of local anesthetics (tetracaine-HCI, bupivacaine-HCI, lidocaine-HCI, prilocaine-HCI and procaine-HCI) on the differential rotational rate between the surface (in carbon number 2 and its surroundings including the head group) and the hydrocarbon interior (in carbon number 12 and its surroundings) of the outer monolayer of the total phospholipid fraction liposome that is extracted from synaptosomal plasma membrane vesicles. The anisotropy (r) values for the hydrocarbon interior and the surface region of the liposome outer monolayer were$0.051{\pm}0.001$ and $0.096{\pm}0.001,$ respectively. This means that the rate of rotational mobility in the hydrocarbon interior is faster than that of the surface region. Local anesthetics in a dosedependent manner decreased the anisotropy of 12-AS in the hydrocarbon interior of the liposome outer monolayer, but increased the anisotropy of 2-AS in the surface region of the monolayer. These results indicate that local anesthetics have significant disordering effects on the hydrocarbon interior, but have significant ordering effects on the surface region of the liposome outer monolayer.

• BMB Reports
• /
• v.37 no.5
• /
• pp.603-611
• /
• 2004

Fluorescence probes located in different membrane regions were used to evaluate the effects of chlorpromazine HCl on structural parameters (transbilayer lateral mobility, annular lipid fluidity, protein distribution, and lipid bilayer thickness) of synaptosomal plasma membrane vesicles (SPMVs) isolated from bovine cerebral cortex. The experimental procedure was based on the selective quenching of 1,3-di(1-pyrenyl)propane (Py-3-Py) by trinitrophenyl groups, radiationless energy transfer from the tryptophan of membrane proteins to Py-3-Py, and energy transfer from Py-3-Py monomers to 1-anilinonaphthalene-8-sulfonic acid (ANS). In this study, chlorpromazine HCl decreased the lateral mobility of Py-3-Py in a concentration dependent-manner, showed a greater ordering effect on the inner monolayer than on the outer monolayer, decreased annular lipid fluidity in a dose dependent-manner, and contracted the membrane lipid bilayer. Furthermore, the drug was found to have a clustering effect on membrane proteins.

• The Korean Journal of Physiology and Pharmacology
• /
• v.7 no.3
• /
• pp.125-130
• /
• 2003

The aim of this study was to provide a basis for studying the molecular mechanism of pharmacological action of chlorhexidine digluconate. Fluorescence polarization of n-(9-anthroyloxy)stearic acid was used to examine the effect of chlorhexidine digluconate on differential rotational mobility of different positions of the number of membrane bilayer phospholipid carbon atoms. The six membrane components differed with respect to 2, 3, 6, 9, 12, and 16-(9-anthroyloxy)stearic acid (2-AS, 3-AS, 6-AS, 9-AS, 12-AS and 16-AP) probes, indicating different membrane fluidity. Chlorhexidine digluconate increased the rate of rotational mobility of hydrocarbon interior of the cultured Porphyromonas gingivalis outer membranes (OPG) in a dose-dependent manner, but decreased the mobility of surface region (membrane interface) of the OPG. Disordering or ordering effects of chlorhexidine digluconate on membrane lipids may be responsible for some, but not all of its bacteriostatic and bactericidal actions.