• Bulletin of the Korean Chemical Society
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• v.33 no.9
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• pp.2861-2866
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• 2012

Results of the comparisons of various density functional theory (DFT) methods with different basis sets for predicting the molecular geometry of TPOP24N-Oxide macrocycle, an oxoporphyrin N-oxide, are reported in this paper. DFT methods, including M06-2X, B3LYP, LSDA, B3PW91, PBEPBE, and BPV86, are examined. Different basis sets, such as 6-$31G^*$, 6-31+G (d, p), 6-311+G (d, p), and 6-311++G (d, p), are also considered. The M06-2X/6-$31G^*$ level is superior to all other density functional methods used in predicting the geometry of TPOP24N-Oxide. The geometries of regioisomeric chlorin N-oxide and oxoporphyrin N-oxide are reported using M06-2X/6-$31G^*$ method. The geometry effects of oxoporphyrin and chlorin N-oxide regioisomers are increased ${\beta}-{\beta}$ bond lengths by N-oxidation because the bond overlap index due to charge transfers is decreased. In N-oxidation ring (II, III), angles that include ${\beta}-{\beta}$ bond length increase as the bond overlap index of ${\beta}-{\beta}$ bond is decreased by N-oxidation. The potential energy surfaces of chlorin N-oxide and oxoporphyrin N-oxide are explored by M06-2X/6-$31G^*$, and single-point calculations are performed at levels up to M06-2X/6-311++G (d, p). Total and relative energies are then calculated. The results indicate that chlorin 24 N-oxides are more stable than chlorin 22 N-oxides in chlorin N-oxide regioisomers. Moreover, TPOP24N-Oxide is less stable than TPOP22N-Oxide.

• YAKHAK HOEJI
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• v.7 no.4
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• pp.92-95
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• 1963

Magnesium Chlorophyllin 으로부터 상법에 의하여 제조한 Chlorin-e에 수용성 Cobalt 염을 작용시켜 Chlorophyllin에 Cobalt Complex 화합물을 제조하였다. Chlorin제법에 있어서 alcohol 용매를 사용해 온 방법은 Chlorin이 alcohol에 대한 용해도가 그히 적은 관계로 목적물을 양호한 수대율로 얻지 못할 뿐만 아니라 이에 따르는 조작도 복잡 불편하였으나 용매 를 빙초산으로 대치하므로써 좋은 성과를 얻을 수가 있었다.

• Journal of Photoscience
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• v.9 no.2
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• pp.178-181
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• 2002

Pyropheophorbide and pheophorbide-photosensitizers as chlorin analogues are promising new compounds for PDT because the chlorin analogues are activated with much longer red light at > 670nm and produce less long-term normal tissue phototoxicity than Photofrin. The various chlorin derivatives can be obtained by moditying peripheral substituted group among which meso-H, vinyl group and exocyclic ring are the most active positions. These characteristics prompted us to introduce various groups for constructing modified pyropheophorbide and pheophorbide a compounds. A stereospecific introduction of various double bonds at 3-position was performed to methylpheophorbide a to give a long hydrophobic moiety and cyclic derivatives. Chlorin-C$_{60}$ dyad and chlorin- $C_{60}$-porphyrin triad also were easily prepared by the reaction of terminal aldehyde of methyl pyropheophorbide a. For the reaction on meso $\delta$-position bromination and Vismeier formylation can occur. N,N-dimethylaminoacrolein also reacted on $\delta$-position and was cyclized to isobacteriochlorin, but other modification has not been succeeded. Exocyclic keto function was also modified to give purpurin derivatives, bicyclic and spiro compounds. In this presentation we report a series of modified pyropheophorbide and pheophorbide a derivatives.s.

• Journal of Photoscience
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• v.9 no.2
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• pp.174-177
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• 2002

Sugar-linked porphyrin and chlorin compounds have been synthesized. Phototoxicity of these compounds against the HeLa cell line was also examined. For the porphyrin derivatives, the higher activity was observed for a derivative having four OH-protected sugar moieties. For the chlorin derivatives, OH-unprotected free-base derivatives were generally effective. Singlet oxygen producing ability were examined to evaluate the activity on photodynamic therapy of the compounds.

• Journal of Photoscience
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• v.8 no.2
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• pp.70-73
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• 2001

The chlorin-bromine building block was constructed and applied to synthesize $\delta$-bromo compounds of methyl pyropheophorbide-a. The visible spectra of the title compounds were discussed.

• Journal of Photoscience
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• v.9 no.2
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• pp.347-349
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• 2002

Synthetic zinc chlorins possessing a hydrophylic polyoxyethylene chain at the 17 -position were prepared. An amphiphilic zinc chlorin possessing a single chIorin moiety showed absorption maxima at 675 nm in an aqueous medium, indicating that the zinc chIorin did not form large aggregates but a dimeric structure. In contrast, amphiphilic zinc chlorin dyads in which two zinc chlorin moieties were connected with a hydrophilic polyoxyethylene linkage showed red-shifted absorption band around 720-740 nm in an aqueous medium. The result indicated that the amphiphilic zinc chlorin dyad self-aggregated to form chlorosome-like oligomer.

• Archives of Pharmacal Research
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• v.29 no.3
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• pp.188-190
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• 2006

In this study, a newly-synthesized metalloporphyrin, Gd-chlorin (PB Chlorin), was investigated by using a simple tissue phantom to test its efficacy as an MRI contrast agent. This study demonstrated the potential activity of Gd-chlorin as not only a MRI contrast agent, but also as a PDT photosensitizer by using a simple tissue phantom and conducting a very brief MRI experiment.

• Bulletin of the Korean Chemical Society
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• v.22 no.3
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• pp.257-258
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• 2001

• Journal of Photoscience
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• v.8 no.2
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• pp.71-71
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• 2001

• Proceedings of the Korean Institute of Information and Commucation Sciences Conference
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• 2022.10a
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• pp.323-325
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• 2022

In this paper, after administration of Chlorin e6 to kill cervical cancer cells, PDT (photodynamic therapy) using laser or LED was studied for Ce6 concentration and apoptosis by administration time. After photostimulation was applied to cervical cancer cells, qualitative and quantitative evaluation through imaging and quantitative evaluation using CCK-8 were performed. As a result of the experiment, as the concentration of Ce6 increased, a large amount of cells were killed, and it was confirmed that the Ce6+PDT test group killed more. When comparing the LED and the laser, the laser was able to kill cells only at a local location, and the LED showed the result that it was possible to kill the cells in a wide range. In addition, when irradiating a local location, such as a laser, when measuring the cell viability, it is judged to be accurate to image processing the location.