• 농업과학연구
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• 제34권2호
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• pp.171-179
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• 2007

The new insecticidal active molecules from the based on the holographic quantitative structure-activity relationships (HQSAR) between a series of $1-(R_1)-2-(n-octyl)-3-(R_2)$, $3-(R_3)-pseudothiourea$ derivatives and their insecticidal activities against Diamond-back moth (Plutella Xylostella Linnaeus) were designed and discussed quantitatively. The most active molecule from the based graphical analyses of atomic contribution maps with the optimized HQSAR C-1 model ($q^2=0.764$ & $r^2{ncv}=0.942$) was 1-(n-butyl)-2-(t-butyl)-3,3-diisopropylpseudothiourea (P1: $pI_{50}=5.30$, $IC_{50}=1.397ppm$). Therefore, it is suggested that the new designed molecule would increased the activity as much as 23.5 times as compared to X=n-octyl substituent 17($pI_{50}=4.00$, $IC_{50}=32.86ppm$) which was the highest active molecule in training set compounds.

• Bulletin of the Korean Chemical Society
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• 제30권11호
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• pp.2749-2753
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• 2009

Structural characteristics that influence on the insecticidal activity ($pI_{50}$) of 2-(n-octyl)isothiourea analogues (1-45) against the diamondback moth (Plutella xylostella, L.) based on three dimensional quantitative structure activity relationships (3D-QSARs) were discussed quantitatively using a comparative molecular field analysis (CoMFA) and a comparative molecular similarity indeces analysis (CoMSIA) methods. The statistical values of the CoMFA 2 model were better than those of the CoMSIA 1 model. The CoMFA 2 model was the optimized model with the correlativity (the training set: Ave. = 0.104 & PRESS = 0.613) and the predictability (the test set: Ave. = 0.086 & PRESS = 0.096). Insecticidal activities with the optimized CoMFA 2 model were dependent upon steric factors (79.4%) of $R_1-R_3$ substituents. From the analytical results of CoMFA contour maps, it is predicted that the R1 substituent of 1-45 which has a steric favor in a broad space, $R_2\;and\;R_3$ groups with a steric favor in a narrow space and a H-bond donor favor would have better the insecticidal activity.

• Applied Biological Chemistry
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• 제37권5호
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• pp.397-401
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• 1994

활성 빵효모를 이용한 생물학적 환원은 n-hexane, pentane과 석유에테르와 같은 유기용매에서 순조롭게 진행되어, ethyl(1)과 octyl 3-oxohexanoate(2)는 높은 %ee로 환원되었다. 활성 빵효모에 의한 생물학적 환원은 물보다 유기용매에서 생성물의 정제가 간편하고 경제적 효과가 크다는 이점이 있었다. 이러한 생물학적 환원방법은 광학활성 천연물의 합성에 이용할 수 있으리라 생각되어 진다.

• Bulletin of the Korean Chemical Society
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• 제27권1호
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• pp.44-52
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• 2006

New organotin(IV) derivatives with general formulae R_2SnL_2 and R_3SnL, where R = methyl, n-butyl, n-octyl and phenyl and HL is either 3-[N-(4-nitrophenyl)amido]-propenoic acid or 3-[N-(4-nitrophenyl)amido] propanoic acid have been synthesized in 1 : 2 and 1 : 1 molar ratio by different methods. The FTIR spectra clearly demonstrated that the organotin(IV) moieties react with [O,O] atoms of the ligands. The bonding and coordination behavior in these complexes are discussed on the basis of multinuclear (^1H,\,^{13}C,\,^{119}Sn) NMR and mass spectrometric studies. Antibacterial, and antifungal screening tests were performed for these compounds and reported here. These values were compared to those of the precursors and it was found that diorganotin(IV) complexes exhibit less activity as compared to triorganotin(IV) complexes . LD_{50} data were obtained by Brine Shrimp assay method. Insecticidal activity was performed for selective compounds by contact toxicity method.

• 공업화학
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• 제31권2호
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• pp.187-192
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• 2020

(2S,3R)-3-hydroxyhomoserine lactone (HSL)은 생리학적 활성을 가지는 다양한 종류의 화합물을 합성하기 위한 중간체로 활용되어 왔다. 본 논문에서는 OBO ester로 보호된 바이닐글라이신 유도체에 이중알콜화 반응을 수행하여 효율적인 HSL 합성 결과를 보고하고자 한다. 바이닐글라이신의 비고리 conformation은 크기가 큰 OBO ester에 의해 조절되었으며 N-inside conformation을 통해 이중알콜화 반응이 진행됨으로써 높은 anti 선택성(> 10 : 1)을 얻을 수 있었다. 이러한 결과를 바탕으로 N-Cbz-L-serine을 출발물질로 사용하여 총 7단계 34%의 수율로 HSL을 합성할 수 있었다. 본 연구의 결과는 amino diol 구조를 가지는 다양한 생리활성 천연물들의 입체선택적인 합성에 유용하게 활용될 수 있을 것으로 기대된다.

• 한국응용과학기술학회지
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• 제18권2호
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• pp.111-117
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• 2001

Density, viscosity, conductance, dye solubility and carbon-13 nmr studies were performed in aqueous solution of three disodium 4-n-alkyl-3-sulfonatosuccinate anionic surfactant at $20^{\circ}C$. The cmc values were 0.14 mol/l for the disodium-4-n-octyl-3-sulfonatosuccinate($R_{8)S$), 0.041mol/l for the disodium-4-n-decyl-3-sulfonatosuccinate($R_{10}S$), and 0.018mol/l for the disodium-n-dodecyl-3-sulfonatosuccinate <$R_{12}S$). The aggregation numbers determined viscometrically and conductimetrically were 28 for $R_{8}S$, 48 for $R_{10}S$, and 67 for $R_{12}S$. The volume changes upon micellization were $8.9cm^{3}/mol$ for $R_{8}S$, $9.5cm^{3}/mol$ for $R_{10}S$, and $10.1cm^{3}/mol$ for $R_{12}S$. Binding constants for the dye pada to the micelles and the fractions of unbound counter-ion were also obtained. The two polar heads with their carbon linkage were likely in an aqueous environment in the $R_{8}S$ micelles with the micelles themselves being spherical.

• Bulletin of the Korean Chemical Society
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• 제15권10호
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• pp.896-900
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• 1994

The pH-dependent reduction behavior of N-monosubstituted-4,4'-bipyridinium ions ($RBPY^+: R=methyl(C_1)$; benzyl; n-octyl; n-dodecyl) has been investigated by electrochemical and spectroelectrochemical techniques. At acidic condition, $RBPY^+$ is protonated and the protonated species are reduced by two consecutive one-electron processes. The $2e^-$ reduced species undergoes a chemical reaction with $H^+$. The second-order rate constant $(k_H)$ of the homogeneous chemical process is $(3.7{\pm}0.3){\times}10^3M^{-1}s^{-1}$ for the two electron reduction product of $C_1BPY^+$. At high pH, the electrode reduction of $RBPY^+$ is one-step $2e^-$ transfer process with concomitant addition of $H^+$, which is confirmed by cyclic voltammetric study using a microdisk electrode.

• 공업화학
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• 제5권2호
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• pp.223-229
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• 1994

회분식 추출기를 이용하여 구연산-초산 혼합수용액-n-butylacetate계에서 2급 아민 추출제인 DITDA와 용매화 추출제인 MOHPO를 이용 추출시 물질전달계수에 미치는 교반속도의 영향에 대하여 연구하였다. 실험결과 본 추출장치에서 교반속도가 커질수록 추출도는 증가하였고, 교반속도가 200rpm, 교반시간 30분 정도가 가장 좋은 결과를 얻었다. 또한 구연산-초산 혼합수용액에서 추출제로 2급 아민인 DITDA을 사용했을 경우 추출도가 더 높았다. 물질전달계수는 추출도와 비례함을 알았고, 구연산을 DITDA로 추출시 추잔상측 물질전달계수와 Re수와는 $K_r=1.254{\times}10^{-3}Re^{0.536}$이었다.

• 대한화장품학회지
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• 제27권1호
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• pp.3-15
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• 2001

The bilayer forming ability of pseudo-ceramide PC104 in octanoic acid/water/n-octyl $\beta$-D-glucoside mixtures was investigated through the phase diagram. Because of its low solubility in water and of its crystallization, pseudoceramide PC104 was dissolved in octanoic acid, which is nontoxic additive for foods and cosmetics. The mixtures formed four different phases (L1, L2, LC and two phases). Depending on the concentration of PC104 in octanoic acid, the region of each phase was extended or contracted. On the contrary to the region of L2, regions of lamellar phase and L1 phase were expanded. The bilayer-forming ability of PC104 was explained on the basis of concentration of PC104 at interface and interaction between PC104 and octanoic acid. From FT-IR results, it was found that the interactions of PC104’s polar head group with octanoic acid increased as the amount of PC104 in octanoic acid increased. Also emulsion size and size distribution have been studied depending upon the emulsification path. droplets of emulsion prepared from lamellar phase were smaller and more homogeneous compared to those of emulsions formed from L2 phase.

• Archives of Pharmacal Research
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• 제19권6호
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• pp.529-534
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• 1996

A high-performance liquid chromatographic (HPLC) assay has been developed for the determination of ketorolac in human serum using a new extraction method with a good recovery. Human serum samples (1.0 ml) spiked with known concentrations of ketorolac tromethamine and 10${\mu}g$ of ketoprofen as the internal standard (IS) were acidified with 200${\mu}l$ of 1 N HCl and extracted with 7 ml of n-hexane-ether (7:3 v/v). Extracts were centrifuged and organic layer was back-extracted with 400${\mu}l$ of 0.1% tromethamine solution. Twenty .mu.l of centrifuged aqueous layer was injected onto a reversed-phase octyl column and eluted with a mixture of acetonitrile, water, methanol, and triethylamine [35:55:10:0.1 (v/v), pH 3.0] at a flow rate of 1.0 ml/min. Ultraviolet detection of ketorolac and IS was carried out at 300 nm. The calibration curve obtained using peak area ratios showed a good linearity (in concentration range 10-150 ng/ml $r^2$=O.9944; in range 50-2000 ng/ml, r$^{2}$=0.9998). The mean intra-day accuracy and precision for this HPLC method were found to be 3.6 and 3.7%, respectively. The mean inter-day accuracy and precision were found to be 4.0 and 3.7%, respectively, in the concentration range 50-2000 ng/ml. The recovery of ketorolac from serum was 92.0 $({\pm}5.7)$ % at the concentration of 100 ng/ml. This method proved to be readily applicable to the assay of ketorolac in human serum.