• 한국대기환경학회지
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• 제21권6호
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• pp.639-647
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• 2005

A single particle analytical technique, named low-Z particle electron probe X-ray microanalysis (EPMA), was applied to characterize samples collected at a subway station and ambient samples in Seoul. According to their chemical composition, many distinctive particle types were identified. For samples collected at the subway station platform, the major chemical species are carbon-rich, organic, aluminosilicates (AlSi), AlSi/C, AlSi/$CaCO_{3},\;CaCO_{3},\;SiO_{2},\;and\;Fe_{2}O_{3}$. For outdoor samples, carbon-rich, organic, AlSi, $CaCO_{3},\;SiO_{2},\;NaNO_{3},\;(Na,Mg)NO_{3},\;Na(CO_{3},NO_{3},SO_{4}),\;and\;(NH_{4})_2SO_4$, are abundantly encountered. Samples collected at the subway station show very high contents of $Fe_{2}O_{3}$, both in coarse and fine fractions, which come from brake block, subway train wheel, electric contact materials, etc. It is demonstrated that the single-particle characterization using this low-Z particle EPMA technique provided detailed information on various types of chemical species in indoor and outdoor samples.

• Bulletin of the Korean Chemical Society
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• 제34권3호
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• pp.810-814
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• 2013

The thermodynamic parameters for the intercalative interaction of structurally related well known intercalators, 9-aminoacridine (9AA) and proflavine (PF) were determined by means of fluorescence quenching study. The fluorescence intensity of 9AA decreased upon intercalation to DNA, poly[$d(A-T)_2$] and poly[$d(G-C)_2$]. A van't Hoff plot was constructed from the temperature-dependence of slope of the ratio of the fluorophore in the absence and presence of a quencher molecule with respect to the quencher concentration, which is known as a Stern-Volmer plot. Consequently, the thermodynamic parameters, enthalpy and entropy change, for complex formation was calculated from the slope and y-intercept of the van't Hoff plot. The detailed thermodynamic profile has been elucidated the exothermic nature of complex formation. The complex formation of 9AA with DNA, poly[$d(A-T)_2$] and poly[$d(G-C)_2$] was energetically favorable with a similar negative Gibb's free energy. On the other hand, the entropy change appeared to be unfavorable for 9AA-poly[$d(G-C)_2$] complex formation, which was in contrast to that observed with native DNA and poly[$d(A-T)_2$] cases. The equilibrium constant for the intercalation of PF to poly[$d(G-C)_2$] was larger than that to DNA, and was the largest among sets tested despite the most unfavorable entropy change, which was compensated for by the largest favorable enthalpy. The favorable hydrogen bond contribution to the formation of the complexes was revealed from the analyzed thermodynamic data.

• 한국추진공학회지
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• 제9권1호
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• pp.35-45
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• 2005

여러 고도에서 화학 반응과 열복사 효과가 로켓 플룸 유동에 미치는 영향을 살피기 위한 수치 연구를 수행하였다. 압축성 유동의 Navier-Stokes 방정식을 유한 체적법에 근거한 완전 내재적 TVD코드로 해석하였으며, 탄화수소 혼합물의 자세한 열화학적 속성을 고려한 화학 평형과 광학적으로 두꺼운 매체의 열복사를 유동 해석 코드에 포함하였다. 지상 마하수 0, 고도 5.06 km에서 마하수 1.16 그리고 17.34 km에서 마하수 2.90로 비행하는 등유 연료 로켓의 플룸 유동을 해석하였다. 해석 결과는 서로 다른 고도 조건에서의 플룸의 구조와 함께 화학 반응과 복사의 영향을 보여 주었다. 추진 성능과 기저부 열차단의 측면에서, 화학 반응에 의한 배출가스의 온도 상승은 특히 고고도에서 무시할 수 없음을 알 수 있었다.

• 대한화학회지
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• 제40권7호
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• pp.526-530
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• 1996

3-Imino-1, 2, 5-thiadiazolidine 1, 1-dioxide와alkylamine 의 반응에 의하여 3-(N-alkylamino)-4, 5-dihydro-1, 2, 5-thiadiazole 1, 1-dioxide를 제조하였다. 이 헤테로고리 화합물의 주요 분광학적 성질과 X-선 결정학외절에 의한 분자구조를밝혔다. 3-(N-benzylamino)-4, 5-dihydro-4-(4'-methoxyphenyl)-1, 2, 5-thiadiazole 1, 1-dioxide의 단결정은 단사정계, 공간군은 $P2_1a$, $a=22.512(3)(1)\AA$, $b=9.831(2)\AA$, $c=7.194(4)\AA$, $\beta=96.65(2)$, 그리고 Z=4이다.

• Bulletin of the Korean Chemical Society
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• 제25권10호
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• pp.1477-1483
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• 2004

We present the tandem mass spectrometry applications carried out to elucidate the coordination structure of Zn(II) bound lysine ternary complexes, $(Zn+Lys+Lys-H)^+$, which is a good model system to represent a simple (metallo)enzyme-substrate complex (ES). In particular, experimental efforts were focused on revealing the involvement of a lysine side chain ${\varepsilon}$-amino group in the coordination of $Zn^{2+}$ divalent ions. MS/MS fragmentation pattern showed that all the oxygen species within a complex fell off in the form of $H_2O$ in contrast to those of other ternary complexes containing amino acids with simple side chains (4-coordinate geometries, Figure 1a), suggesting that the lysine complexes have different coordination structures from the others. The participation of a lysine basic side chain in the coordination of Zn(II) was experimentally evidenced in MS/MS for $N{\varepsilon}$-Acetyl-L-Lys Zn(II) complexes with acetyl protection groups as well as in MS/MS for the ternary complexes with one $NH_3$ loss, $(Zn+Lys+Lys-NH_3-H)^+$. Detailed structures were predicted using ab initio calculations on $(Zn+Lys+Lys-H)^+$ isomers with 4-, 5-, and 6-coordinate structures. A zwitterionic 4-coordinate complex (Figure 7d) and a 5-coordinate structure with distorted bipyramidal geometry (Figure 7b) are found to be most plausible in terms of energy stability and compatibility with the experimental observations, respectively.

• Archives of Pharmacal Research
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• 제27권7호
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• pp.720-726
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• 2004

Two Spectrophotometric procedures are presented for the determination of two commonly used H2-receptor antagonists, nizatidine (I) and ranitidine hydrochloride (II). The methods are based mainly on charge transfer complexation reaction of these drugs with either ${\rho}-chloranilic$ acid (${\rho}-CA$) or 2, 3 dichloro-5, 6-dicyanoquinone (DDQ). The produced colored products are quantified spectrophotometrically at 515 and 467 nm in chloranilic acid and 000 methods, respectively. The molar ratios for the reaction products and the optimum assay conditions were studied. The methods determine the cited drugs in concentration ranges of 20-200 and $20-160\;\mu\textrm{g}/mL$ for nizatidine and ranges of 20-240 and $20-140\;\mu\textrm{g}/mL$ for ranitidine with chloranilic acid and DDQ methods, respectively. A more detailed investigation of the complexes formed was made with respect to their composition, association constant, molar absorptivity and free energy change. The proposed procedures were successfully utilized in the determination of the drugs in pharmaceutical preparations. The standard addition method was applied by adding nizatidine and ranitidine to the previously analyzed tablets or capsules. The recovery of each drug was calculated by comparing the concentration obtained from the spiked mixtures with those of the pure drug. The results of analysis of commercial tablets and the recovery study (standard addition method) of the cited drugs suggested that there is no interference from any excipients, which are present in tablets or capsules. Statistical comparison of the results was performed with regard to accuracy and precision using student's t-test and F-ratio at 95％ confidence level. There is no significant difference between the reported and proposed methods with regard to accuracy and precision.

• 공업화학
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• 제20권3호
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• pp.251-257
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• 2009

다양한 미생물에 대하여 높은 불활성화 성능을 지니고 있는 은(Ag)은 최근 환경 기술 분야, 나노 기술 분야 등에서 응용 가능성이 높아 큰 주목을 받고 있으며, 새로운 적용 제품들이 활발하게 연구, 개발되고 있다. 하지만 다양한 응용 연구에도 불구하고 정확한 항균 성능 및 기작에 대한 연구 결과와 이해가 부족하여 관련 연구자와 소비자들에게 논쟁과 혼동을 야기시키고 있다. 본 글에서는 기존 연구를 중심으로 은의 미생물 불활성화 성능과 기작, 다른 항균 물질과의 시너지 효과, 응용 분야 등에 대해서 정리, 검토하여 이에 대한 연구 및 개발에 도움이 되고자 한다.

• Journal of Mechanical Science and Technology
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• 제20권9호
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• pp.1459-1474
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• 2006

The present study is focused on the development of the RIF (Representative Interactive Flamelet) model which can overcome the shortcomings of conventional approach based on the steady flamelet library. Due to the ability for interactively describing the transient behaviors of local flame structures with CFD solver, the RIF model can effectively account for the detailed mechanisms of $NO_x$ formation including thermal NO path, prompt and nitrous $NO_x$ formation, and reburning process by hydrocarbon radical without any ad-hoc procedure. The flamelet time of RIFs within a stationary turbulent flame may be thought to be Lagrangian flight time. In context with the RIF approach, this study adopts the Eulerian Particle Flamelet Model (EPFM) with mutiple flamelets which can realistically account for the spatial inhomogeneity of scalar dissipation rate. In order to systematically evaluate the capability of Eulerian particle flamelet model to predict the precise flame structure and NO formation in the multi-dimensional elliptic flames, two methanol bluffbody flames with two different injection velocities are chosen as the validation cases. Numerical results suggest that the present EPFM model has the predicative capability to realistically capture the essential features of flame structure and $NO_x$ formation in the bluff-body stabilized flames.

• Bulletin of the Korean Chemical Society
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• 제33권5호
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• pp.1722-1728
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• 2012

During the analyzing processes of the compounds, some researchers are puzzled by the analytical signals for some TSNAs (with or without splitting peaks at various pHs and temperatures). In this work, a detailed theoretical study of structural and thermal properties of the $E/Z$ isomers of TSNAs and the corresponding protonated structures was performed using DFT methods. The calculations showed that the $E$ isomers are almost stable than $Z$ isomers, while the $Z$ isomers would be more stable when in protonation. The calculated results predicted the possibility of separation of their $E$ and $Z$ isomer forms and also showed that protonation affects the dipole moment of molecules significantly (0.1-0.5 to 0.7-2.1 Debye). The calculations agreed well with the experiments that the split-up of the HPLC signal for TSNAs into two peaks are very sensitive to the pH and temperature of the mobile-phase.

• 대한기계학회논문집B
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• 제28권6호
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• pp.688-696
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• 2004

Nonlinear dynamic behavior of diffusive-thermal instability in diluted CH$_4$/O$_2$ diffusion flames is numerically investigated by adopting detailed chemistry and transport. Counterflow diffusion flame is adopted as a model flamelet. Particular attention is focused on the pulsating-instability regime, which arises for Lewis numbers greater than unity, and the instability occurs at high strain rate near extinction condition in this flame configuration. Once a steady flame structure is obtained for a prescribed value of initial strain rate, transient solution of the flame is calculated after a finite amount of strain-rate perturbation is imposed on the steady flame. Transient evolution of the flame depends on the initial strain rate and the amount of perturbed strain rate. Basically, the dynamic behaviors can be classified into two types, namely non-oscillatory decaying solution and diverging solution leading to extinction. The peculiar oscillatory solution, which has been found in the previous study adopting one-step chemistry and constant Lewis numbers, is net observed in this study, which is attributed to both convective flow and preferential diffusion effects.