• 대기
• /
• 제19권4호
• /
• pp.297-307
• /
• 2009

The synoptic structures and the dynamic and thermodynamic characteristics of Changma in 2007 are investigated using the ECMWF analysis data and the radiosonde data from KEOP-2007 IOP. The enhancement of the North-Pacific High into the Korean peninsula and the retreat of the Okhotsk High are shown during the onset of Changma and the change of wind component from southwesterly to northwesterly is appeared during the end of Changma. The baroclinic atmosphere is dominant during Changma at most regions over the Korean peninsula except at Gosan and Sokcho. The quasi-barotropic atmosphere is induced at Gosan by warm air mass and Sokcho by cold air mass. Precipitation in the Korean peninsula occurs when dynamic instability is strengthened as the baroclinic and qusi-barotropic structure is weakened. An empirical orthogonal function (EOF) analysis is performed to find the dominant modes of variability in Changma. The first EOF explains the onset of Changma. The second EOF is related to the discrimination for existence and nonexistence of precipitation during Changma period according to the alternation of equivalent potential temperature between middle and lower atmosphere.

• 한국자기공명학회논문지
• /
• 제8권1호
• /
• pp.1-18
• /
• 2004

A thioredoxin from hyperthermophile, Methanococcus jannashii (MjTRX) was characterized by use of the differential scanning calorimetry to understand the mechanisms of thermodynamic stability. MjTRX has an unfolding transition temperature of 116.5$^{\circ}C$, although the maximum free energy of the unfolding (9.9 Kcal/mol) is similar to that of E. coli thioredoxin (ETRX, 9.0 Kcal/mol). However, the temperature of maximum stability is higher than ETRX by 20$^{\circ}C$, indicating that the unfolding transition temperature increased by shifting the temperature of maximum stability. MjTRX has lower enthalpy and entropy of the unfolding compared to ETRX maintaining a similar free energy of the unfolding. From the structure and the thermodynamic parameters of MjTRX, we showed that the unfolding transition temperature of MjTRX is increased due to the decreased entropy of the unfolding. Decreasing the unfolded state entropy and increasing the folded state entropy can decrease the entropy of the unfolding. In the case of MjTRX, the increased number of proline residues decreased the unfolded state entropy and the increased enthalpy in the folded state increased the folded state entropy.

• 대한화학회지
• /
• 제20권2호
• /
• pp.118-128
• /
• 1976

액체에 대한 significant structure theory 와 상의 전이에 대한 Bragg-Williams근사를 사용하여 액정 화합물인 p-azoxyanisole의 열역학적 성질을 nematic phase와 isotropic phase의 온도범위에 걸쳐 계산하였다. Isotropic phase는 일반적인 액체로 보았으며 nematic phase는 액체적인 성질외에도 분자쌍극자의 배열에 의한 영향도 고려하였다. p-Azoxyanisole의 액체적인 성질은 significant structure theory로 기술하였으며 분자쌍극과 배열에 의한 영향은 Bragg-Williams 근사로써 고려하였다. 부피, 증기압, 정압비열, 열팽창계수, nematic-isotropic 전이점에서의 엔트로피 엔탈피 변화, 절대엔트로피, Helmholtz free energy등을 계산하여 실험치와 비교하였다.

• 한국환경성돌연변이발암원학회지
• /
• 제21권2호
• /
• pp.118-121
• /
• 2001

The predictive screening of various molecular descriptors for predicting carcinogenic, mutagenic, teratogenic and alkylation activity of chlorinated disinfection byproducts (DBPs) has been investigated for the application of quantitative structure-activity relationships (QSAR). The toxicity index for 29 compounds were computed by the PASS program and active values were employed in this study. Studies show that different descriptors account for the model equation of each genotoxic endpoint and that thermodynamic descriptors significantly played a major role on prediction of endpoints of chlorinated aliphatic compounds.

• 대한화학회지
• /
• 제57권4호
• /
• pp.461-471
• /
• 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.

• Biotechnology and Bioprocess Engineering:BBE
• /
• 제8권1호
• /
• pp.9-18
• /
• 2003

The most challenging and emerging field of biotechnology is the tailoring of proteins to attain the desired characteristic properties. In order to increase the stability of proteins and to study the function of proteins, the mechanism by which proteins fold and unfold should be known. It has been debated for a long time how exactly the linear form of a protein is converted into a stable 3-dimensional structure. The literature showed that many theories support the fact that protein folding E5 a Thermodynamically controlled process. It is also possible to predict the mechanism of protein deactivation and Stability to an extent from thermodynamic studies. This article reviewed various theories that have been proposed to explain the process of protein folding after its biosynthesis in ribosomes. The theories of the determination of the thermodynamic properties and the interpretation of thermodynamic data of protein stability are 3150 discussed in this article.

• 대한화학회지
• /
• 제62권2호
• /
• pp.79-86
• /
• 2018

This study reported the adsorption of Cu(II) ions onto activated carbon prepared from Myristica Fragrans shell (MFS AC) over independent variables of contact time, activating chemical (NaOH) concentration, initial adsorbate concentration, initial pH of adsorbate solution and adsorption temperature. The MFS AC structure, morphology and total surface area were characterized by FTIR, SEM and BET techniques, respectively. The Cu(II) ions adsorption on the MFS AC (activated using 0.5 M NaOH) fitted best to Freundlich adsorption isotherm (FAI), and the FAI constant obtained was 0.845 L/g at $30^{\circ}C$ and pH 4.5. It followed the pseudo first order of adsorption kinetic (PFOAK) model, and the PFOAK based adsorption capacity was 107.65 mg/g. Thermodynamic study confirmed the Cu(II) ions adsorption should be exothermic and non-spontaneous process, physical adsorption should be taken place. The total surface area and pore volume based on BET analysis was $99.85m^2/g$ and 0.086 cc/g, respectively.

• 대한조선학회논문집
• /
• 제29권4호
• /
• pp.179-192
• /
• 1992

연속해 손상역학 분야의 열역학적 정식화 과정에 따라 연성재료의 탄소성-손상 구성방정식을 유도하였다. 이때, 재료 내부의 비가역적인 열역학적 상태변화를 표현하는 소성변형, 손상진전 등의 물리적현상을 내부상태변수로 간주하였다. 이 새로운 구성방정식 모형을 실제 문제에 적용함으로써 연성재료의 탄소성 거동 뿐만 아니라 재료의 자체가 손상을 입어 약화되는 과정 까지도 합리적으로 예측 가능함을 확인할 수 있었다.

• 한국식품영양과학회지
• /
• 제27권5호
• /
• pp.1019-1025
• /
• 1998

Proteins and polysaccharides are major food macromolecules. Generally, the mixture of these macromolecules can be separated into two phases because of their thermodynamic incompatibility. Phase separ-ation is explained by equilibrium phase diagram, which comprises binodal curve, critical point, phase separation threshold, tie-line and rectilinear diameter. Phase separation of protein-polysacc-haride solution is affected by pH, temperature, ionic strength, molecular weight, molecular structure, etc. Membraneless osmosis has been developed to concentrate protein solutions, using the phase diagram constituted by proteins and polysaccharides. Protein-polysaccharide mixtures are very promising fat mimetics because solution of mixtures forms water-continuous system with two phase-separated gels, which give plastic texture and a fatty mouthfeel.

• 한국추진공학회:학술대회논문집
• /
• 한국추진공학회 2008년 영문 학술대회
• /
• pp.320-329
• /
• 2008

The influence of thermodynamic transition associated with transcritical nitrogen injection upon the flow structure was investigated to explore numerical simulation of the injectant dynamics of oxygen/hydrogen coaxial jet in liquid rocket engines. Single and coaxial nitrogen jets were treated by comparing the transcritical and perfect-gaseous conditions, wherein the numerical model was accommodative to the real-fluid thermodynamics and transport properties at supercritical pressures. The model was in the first place validated by comparing the results of transcritical nitrogen injection between calculations and available experiments. For a single jet under the transcritical condition, the nitrogen kept a relatively high density up to its pseudo-critical temperature inside the mixing layer, since it remains less expanding until heated up to its pseudo-critical temperature. Numerical analysis revealed that cryogenic jets exhibit strong dependence of specific enthalpy profile upon the associated density profile that are both dominated by turbulent thermal diffusion. In the numerical model, therefore, exact evaluation of turbulent heat fluxes becomes very important for simulating turbulent cryogenic jets under supercritical pressures. Concerning the coaxial jets due to transcritical/gaseous nitrogen injections, the density profile inside the mixing layer was again affected by the thermodynamic transition of nitrogen. However, hydrodynamic instability modes of the inner jet did not show significant differences by this thermodynamic transition, so that further study is needed for the mixing process downstream of the near injection position.