• Journal of the Korean Chemical Society
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• v.49 no.1
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• pp.35-46
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• 2005

• Bulletin of the Korean Chemical Society
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• v.31 no.6
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• pp.1535-1542
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• 2010

Spectrophotometric micro determination of allopurinol (ALP) via charge-transfer formation is described. This includes the utility of some $\pi$-acceptors such as 2,3-dichloro-5,6-dicyano-p-benzoquinone (DDQ) and 3,6-dichloro-2,5-dihydroxy-p-benzoquinone (p-CLA) for estimation of ALP drug (act as $\grave{e}$-donor). These reactions are applied for determination of ALP in its pharmaceutical preparations coming from different companies. Elucidation of the chemical structure of the solid CT complexes formed via reaction between drugs under study and $\pi$-acceptors, using elemental analyses (C, H, N), I. R., $^1H$ NMR and mass spectrometry.

• The Journal of Natural Sciences
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• v.15 no.1
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• pp.47-56
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• 2005

The substituent dependence of geometric distortion through the two independent electronic substituent effects is analyzed for mono-substituted benzene derivatives of $C_{2v}$. Based on resonance structures, quantitative relationships expressing the resonance and field/inductive contribution terms in bond distortions are derived. The calculated field-effect parts of $C_{ipso}$_$C_{ortho}$ ring bonds increase and decrease compared to benzene for electropositive and electronegative substituents respectively. The nonbonded axial distance, $C_{ipso}$....$C_{para'}$ decreases for electronegative substituents and increases for electropositive substituents. As the electronegativity increases, the distance $C_{ortho}$....$C_{ortho'}$ increases. With the $\pi$-donors, $C_{meta}$....$C_{meta'}$ nonbonded distances are shorter compared to the ones of benzene, and for $\pi$-acceptors, the are longer. Our model based on valence bond approach predicts that the average bond length determined the area of ring, and the sum of the angles <$C_{ortho}$_$C_{ispo}$_$C_{ortho}$ and <$C_{meta}$_$C_{para}$_$C_{meta}$ determines the axial distance.

• YAKHAK HOEJI
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• v.43 no.4
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• pp.437-441
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• 1999

Enoxacin[1-ethyl-6-fluoro-1,4-dihydro-4-oxo-7-(1-\piperazinyl)-1,8-naphthyridine-3-carboxylic acid, ENX] is a new quinolone antibacterial agent. The method is based on the highly colored charge-transfer complex formation of this drug as a $\pi$-electron donor with 7,7,8,8-tetracyanoquinodimethane(TCNQ) or chloranil(CL) as $\pi$-acceptors. The colored products were measured spectrophotometrically at 842 nm and 552 nm for TCNQ and CL, respectively. The different experimental conditions are optimized. The linearities for TCNQ and CL were $1.6{\;}\mu\textrm{g}/mL~32{\;}\mu\textrm{g}/mL$ and $6.4{\;}\mu\textrm{g}/mL~160{\;}\mu\textrm{g}/mL$, respectively and colors were produced in non-aqueous media. This report describes a simple and ra\pid method for the analysis of enoxacin.

• Bulletin of the Korean Chemical Society
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• v.34 no.11
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• pp.3211-3217
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• 2013

Density functional theory (DFT) and time-dependent DFT (TD-DFT) calculations have been employed to investigate the molecular structures and absorption spectra of three D-${\pi}$-A-type organic dyes (C1-1, D5 and TH208) containing identical ${\pi}$-spacers and electron acceptors, but different aromatic amine electron-donating groups (tetrahydroquinoline, triphenylamine and phenothiazine). The coplanar geometries indicate that the strong conjugation is formed in the dyes. The electronic structures suggest that the intramolecular charge transfer from the donor to the acceptor occurs, and the electron-donating ability of tetrahydroquinoline is stronger than those of triphenylamine and phenothiazine. The computed orbital energy levels of these dyes confirm that the electrons could be injected from the excited dyes to the semiconductor conduction band and the oxidized dyes could be reduced effectively by electrolyte. The TD-DFT results show that the CAM-B3LYP/6-31+G(d, p) is suitable for calculating the absorption spectra. The first absorption band for these dyes is assigned to the HOMO${\rightarrow}$LUMO and HOMO-1${\rightarrow}$LUMO transitions.

• Korean Journal of Soil Science and Fertilizer
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• v.46 no.6
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• pp.659-664
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• 2013

The aim of this study is to determine the drought stress index through photochemical analysis in red pepper (Capsiumannuum L.). The photochemical interpretation was performed in the basis of the relation between Kautsky effect and Photosystem II (PSII) following the measurement of chlorophyll, pheophytin contents, and $CO_2$ assimilation in drought stressed 5-week-old red pepper plants. The $CO_2$ assimilation rate was severely lowered with almost 77% reduction of chlorophyll and pheophytin contents at four days after non-irrigation. It was clearly observed that the chlorophyll fluorescence intensity rose from a minimum level (the O level), in less than one second, to a maximum level (the P-level) via two intermediate steps labeled J and I (OJIP process). Drought factor index (DFI) was also calculated using measured OJIP parameters. The DFI was -0.22, meaning not only the initial inhibition of PSII but also sequential inhibition of PSI. In real, most of all photochemical parameters such as quantum yield of the electron transport flux from Quinone A ($Q_A$) to Quinone B ($Q_B$), quantum yield of the electron transport flux until the PSI electron acceptors, quantum yield of the electron transport flux until the PSI electron acceptors, average absorbed photon flux per PSII reaction center, and electron transport flux until PSI acceptors per cross section were profoundly reduced except number of QA reducing reaction centers (RCs) per PSII antenna chlorophyll (RC/ABS). It was illuminated that at least 6 parameters related with quantum yield/efficiency and specific energy fluxes (per active PSII RC) could be applied to be used as the drought stress index. Furthermore, in the combination of parameters, driving forces (DF) for photochemical activity could be deduced from the performance index (PI) for energy conservation from photons absorbed by PSII antenna until the reduction of PSI acceptors. In conclusion, photochemical responses and their related parameters can be used as physiological DFI.

• Journal of Photoscience
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• v.10 no.1
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• pp.127-148
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• 2003

Zeolite is a porous highly interactive matrix. Zeolitic cations help to generate triplets from molecules that possess poor intersystem crossing efficiency. Certain zeolites act as electron acceptors and thus can spontaneously generate radical cations. Zeolites also act as proton donors and thus yield carbocations without any additional reagents. These reactive species, radical cations and carbocations, have long lifetime within a zeolite and thus lend themselves to be handled as ‘regular’ chemicals. Internal structure of zeolites is studded with cations, the counter-ions of the anionic framework. The internal constrained structure and the cations serve as handles for chemists to control the behavior of guest molecules included within zeolites.

• Bulletin of the Korean Chemical Society
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• v.33 no.4
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• pp.1225-1230
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• 2012

A new unsymmetrical zinc phthalocyanine has been designed and synthesized based on the 'push-pull' and extended ${\pi}$-conjugation concept for the dye-sensitized solar cells. Three tert-butoxy groups, which act as electron releasing ('push'), enhance the solubility of phthalocyanine in common organic solvents and reduce the aggregation. Hydroxy substituted 9,10-anthraquinones act as electron acceptors ('pull') for the study of photoinduced electron transfer processes as well as grafting onto nanocrystalline $TiO_2$. The new unsymmetrical zinc phthalocyanine was fully characterized by FTIR, UV-vis, $^1H$ NMR, cyclic voltammetry and differential pulse voltammetry. The new sensitizer was tested in dye-sensitized solar cells, and gave a better performance.

• Bulletin of the Korean Chemical Society
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• v.33 no.6
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• pp.1900-1906
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• 2012

Three carbazole chromophores featuring dicyano, cyano, ethyl acetate and dimethyl acetate groups as an acceptor moiety with a ${\pi}$-conjugated spacer and $N$-methyl dibenzo[$b$]pyrole as donor were synthesized by Knovenagel condensation and characterized by IR, $^1HNMR$, $^{13}CNMR$, UV-vis, fluorescence spectroscopy, electrochemistry and theoretical B3LYP/6-$311G^*$ level whilst NLO properties and spectroscopic quantities were calculated. Calculations showed remarkable trend with HOMO located on the donor moiety and LUMO on the acceptors dicyano methylene, cyano, ethyl acetate methylene and dimethyl acetate methylene. In agreement with the calculations, solvatochromic, behavior intramolecular charge transfer band was observed in the visible region.

• Bulletin of the Korean Chemical Society
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• v.15 no.6
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• pp.453-455
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• 1994

Semiempirical MO calculations are applied to estimate the substituent effects on acylations of the nonfused N-vinyl-2-amino $\beta-lactams$ having frameworks analogous to 3-cephems. The stabilization energy for the reaction intermediate of the nucleophilic attack by the hydroxide ion is selected as the reactivity index and calculated by AM1 and PM3 methods for the model $\beta-lactams$ with substituents at the C1 and N-vinyl terminal positions. The reactivities are larger for -SH connected to the C1 and strong $\pi-acceptors$ at the N-vinyl terminal implying the large reactivity for known active cephalosporins. Quantum chemical calculation of stabilization energy could be useful in correlating antibiotic activities of many compounds obtained as derivatives of a lead compound.