• Korean Journal of Agricultural Science
• /
• v.34 no.2
• /
• pp.171-179
• /
• 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
• /
• v.30 no.11
• /
• pp.2749-2753
• /
• 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
• /
• v.37 no.5
• /
• pp.397-401
• /
• 1994

Bioreduction with active dried baker's yeast proceeded smoothly in n-hexane, pentane or petroleum ether as an organic solvent system. Ethyl(1) and octyl 3-oxohexanoate(2) were reduced to $({\underline{R}})-ethyl(3)$ and $({\underline{S}})-octyl$ 3-hyroxy-hexanoate(4) with high enantiomeric excess, respectively.

• Bulletin of the Korean Chemical Society
• /
• v.27 no.1
• /
• pp.44-52
• /
• 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.

• Applied Chemistry for Engineering
• /
• v.31 no.2
• /
• pp.187-192
• /
• 2020

(2S,3R)-3-hydroxyhomoserine lactone (HSL) has been used as a key intermediate for the synthesis of various biologically active compounds. In this study, we demonstrated an efficient synthesis of HSL via anti selective dihydroxylation of a protected vinyl glycine analog with an oxabicyclo[2.2.2]octyl orthoester (OBO) ester group. Because the acyclic conformation of the substrate was efficiently controlled by the bulky OBO ester group, a diastereoselectivity of > 10 : 1 was obtained in the dihydroxylation reaction without the use of a chiral reagent. By using this result, the target compound 1 can be obtained from commercially available N-Cbz-L-serine 2 in seven steps with an overall yeid of 34%. This result could be applied to the stereoselective synthesis of biologically active molecules containing a vicinal amino diol moiety.

• Journal of the Korean Applied Science and Technology
• /
• v.18 no.2
• /
• pp.111-117
• /
• 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
• /
• v.15 no.10
• /
• pp.896-900
• /
• 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.

• Applied Chemistry for Engineering
• /
• v.5 no.2
• /
• pp.223-229
• /
• 1994

The effect of agitation speed on mass transfer coefficient in the extraction of citric acid from mixed aqueous solutions of citric and acetic acid with n-butylacetate solutions of di-isotridecylamine(DITDA) and 50% mixture of tri-n-octyl and try-n-hexyl phosphine oxide(MOHPO), were studied in batch extractor. Experimental results showed that the degree of extraction was higher with increasing agitation speed, and was best at 200rpm and 30 minutes in batch extractor. The higher degree of extraction was obtained in mixed solution of citric-acetic acid by using DITDA than MOHPO as an carrier. Mass transfer coefficient was proportional to the degree of extraction, and $K_r=1.254{\times}10^{-3}Re^{0.536}$ was found for she extraction of citric acid by DITDA.

• Journal of the Society of Cosmetic Scientists of Korea
• /
• v.27 no.1
• /
• pp.3-15
• /
• 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
• /
• v.19 no.6
• /
• pp.529-534
• /
• 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.