• Bulletin of the Korean Chemical Society
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• 제24권1호
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• pp.75-80
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• 2003

The structures and complexation energies of penta-O-alkylated 1b and penta-O-tert-butyl ester 1e of p-tert-butylcalix[5]arene and their simplified structures (2b and 2e) toward a series of alkyl ammonium guests have been calculated by a semi-empirical AM1 method. For AM1 calculations, complexation efficiencies of the simplified host 2e are very similar to the values of host 1e. The complexes of simplified host 2e with alkyl ammonium ions also have been optimized by ab initio HF/6-31G method. The calculated complexation efficiencies for 2e by ab initio method have been found to be bigger in magnitude than the values obtained by AM1 calculations for linear alkyl ammonium guests. Calculation results show that all of the calix[5]aryl derivatives investigated in this study have much better complexation ability toward ammonium cation without alkyl group compared with other alkyl ammonium guests. Ab initio calculations also well duplicate the molecular discriminating behaviors of calix[5]arene derivative 2e between butyl ammonium ions: $n-BuNH_3^+\;>\;iso-BuNH_3^+\;>\;sec-BuNH_3^+\;>\;tert-BuNH_3^+$.

• 한국동물학회지
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• 제35권1호
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• pp.80-86
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• 1992

The nucleotide sequences of 185 rRNAs of the five Korean decapods were partially determined by the direct sequencing method using the reverse transcriptase. ne average GC content of five species was 51.1% which is higher than that of yeast(45.0%) and lower than those of frog (53.0%) and rat (55.6%). This result follows the general patterns of the GC content in the nucleotides of the nucleic acid shown among the various phylogenetic groups. The average ratio of transrional/transversional nucleotide substitution of pairwise comparison among six species (including Anemia salina) was 1.200 $\pm$ 0.310 when whole region alas examined. However, the ratio showed some differences when the conservative regions and variable regions frere separatelv examined. The molecular phylogenies of the five species were constructed by using two different tree making methods. In general the results support the previously reported molecular phylogeny of the decapod crustaceans. However, our results indicate thats in the analysis of the sequence dat3, the UPGMA clustering method of the distance matrix method should be carefully employed after considering the rate of nucneotide substitution in the different regions of the molecule.

• 한국연소학회:학술대회논문집
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• 한국연소학회 2004년도 제29회 KOSCI SYMPOSIUM 논문집
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• pp.161-166
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• 2004

A study of argon droplet vaporization is conducted using molecular dynamics. Instead of using traditional method such as the Navier-Stokes equation. Molecular dynamics uses Lagrangian frame to describe molecular behavior in a system and uses only momentum and position data of all molecules in the system. So every property is not a hypothetical input but a statistical result calculated from the momentum and position data. This work performed a simulation of the first-order stability for phase transition of a three dementional submicron argon droplet within quiescent environment. Lennard-Jones 12-6 potential function is used as a intermolecular potential function. The molecular configuration is examined while an initially non-sperical droplet is changed into the spherical shape and droplet evaporates or condensates.

• 대한방사성의약품학회지
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• 제3권1호
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• pp.25-31
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• 2017

Liposomes are defined as spherical, self-closed structures formed by lipid bilayers containing aqueous phase. Most liposomes are composed of various amphipathic lipids such as phospholipids and cholesterol. We used amphipathic lipids (DPPC, DPPG) as liposome components and prepared around 100 nm liposomes by standard extrusion method. Nuclear/MR dual imaging agents based on liposome platform were prepared by adding radioactive $^{131}I$-HIB (hexadecyl-4-tributylstannylbenzoate) and Gd-DTPA into liposome bilayer and inside liposome, respectively. Gamma camera and MR imaging both showed signal increases in liver.

• 한국생물공학회:학술대회논문집
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• 한국생물공학회 2005년도 생물공학의 동향(XVII)
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• pp.848-848
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• 2005

• 대한화학회지
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• 제57권4호
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• pp.461-471
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• 2013

Optimized geometrical structure, atomic charges, molecular electrostatic potential, nonlinear optical (NLO) effects and thermodynamic properties of the title compound N-(2,5-methylphenyl)salicylaldimine (I) have been investigated by using ab initio quantum chemical computational studies. Calculated results showed that the enol form of (I) is more stable than keto form. The solvent effect was investigated for obtained molecular energies, hardneses and the atomic charge distributions of (I). Natural bond orbital and frontier molecular orbital analysis of the title compound were also performed. The total molecular dipole moment (${\mu}$), linear polarizability (${\alpha}$), and first-order hyperpolarizability (${\beta}$) were calculated by B3LYP method with 6-31G(d), 6-31+G(d,p), 6-31++G(d,p), 6-311+G(d) and 6-311++G(d,p) basis sets to investigate the NLO properties of the compound (I). The standard thermodynamic functions were obtained for the title compound with the temperature ranging from 200 to 450 K.

• 분석과학
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• 제8권4호
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• pp.465-468
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• 1995

Matrix assisted laser desorption ionization in mass spectrometry is a fast and accurate method to determine the molecular weight of natural and synthetic polymers. Unknown peptides such as elastase inhibitor and $\small{D}$-hydantoinase were analyzed using sinapinic acid as matrix and their molecular weights were compared with the results from protein sequencer and gel filtration chomatography, respectively. Synthetic polymers such as polyethyleneglycol, polypropyleneglycol, polydimethylsiloxane, and polystyrene were analyzed using matrices such as 2,5-dihydroxybenzoic acid, 4-hdroxyazobenzenecarboxylic acid, and 2-nitrophenyl octyl ether. Average molecular weights of polystyrene were compared with molecular weights by gel permeation chromatography.

• Bulletin of the Korean Chemical Society
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• 제28권1호
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• pp.63-67
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• 2007

Biodegradable cationic poly(ester-amide) polymers were synthesized by double-monomer method, that showed excellent solubility in many organic solvents and water. Different degradation patterns were obtained by the regulation of monomer ratios and overall long period of time of DNA protection up to 12 days was shown by PicoGreen reagent assay. Good transfection profiles in the presence of serum and very low toxicity on mammalian cells may allow these polymers to become suitable for long-term gene delivery systems and therapeutic applications.

• 한국막학회:학술대회논문집
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• 한국막학회 2004년도 Proceedings of the second conference of aseanian membrane society
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• pp.65-68
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• 2004

Molecular imprinting, which was first proposed by Wulff and Sarhan in 1972 [1], is a facile way to construct molecular recognition sites by applying a simple radical polymerization [2]. Since 1994, the authors have proposed an alternative molecular imprinting method in which polymeric materials are directly converted into molecular recognition materials [3].(omitted)

• 한국진공학회:학술대회논문집
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• 한국진공학회 2013년도 제45회 하계 정기학술대회 초록집
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• pp.92.1-92.1
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• 2013

Molecular electronics has been the subject of intese research for many years because of the fundamental interest in molecular charge transport and potential applications, such as (bio)nanosensors and molecular memory devices. Molecular electronics requires a method for making reliable eletrical contacts to singlemolecules. To date, several approaches have been reported: scanning-probe microscopy, mechanical break junctions, nano patterning, and direct deposition of electrode on a self-assembled monolayers. However, most methods are laborious and difficult for large-scale application and more importantly, cannot control the number of moleucles in the junction. Recently, DNA has been used as a template for metallic nanostructures (e.g., Ag, Pd, and Au nanowires) through DNA metallization process. Furthermore, oligodeoxynucleotides have been tethered to organic molecules by using conventional organic reactions. Collectively, these techniques should provide an efficient route toward reliable and reproducible molecular electronic devices with large-scale fabrication. Therefore, I will present a paradigm for the fabrication of moleuclar electronic devices by using micrometer-sized DNA-singe organic molecule and DNA triblock structures.