• 제목/요약/키워드: PDT

검색결과 197건 처리시간 0.023초

The Studies on Molecular Geometries and Electronic Structures of Substituted meso-Catecholic Porphyrins: DFT Methods and NSD

  • Park, Seung-Hyun;Kim, Su-Jin;Kim, Jin-Dong;Park, Sung-Bae;Huh, Do-Sung;Shim, Yong-Key;Choe, Sang-Joon
    • Bulletin of the Korean Chemical Society
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    • 제29권6호
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    • pp.1141-1148
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    • 2008
  • Geometry optimizations and electronic structure calculations are reported for meso-tetraphenyl porphyrin (TPP) and a series of meso-substituted catecholic porphyrins (KP99150, KP99151, KP99152, KP99153, and KP99090) using density functional theory (DFT). The calculated B3LYP//RHF bond lengths are slightly longer than those of LSDA//RHF. The calculated electronic structures clearly show that TPP and meso-catecholic group contribute to π-electron conjugation along porphyrin ring for HOMO and LUMO, significantly reduced the HOMO-LUMO gap. The wavelength due to B3LYP energy gaps is favored with experimental value in Soret (B), and LSDA energy gaps are favored with experimental value in visible bands (Q). The electronic effect of the catecholic groups is to reduced energies of both the HOMOs and LUMOs. However, the distortion of porphyrin predominantly raises the energies of the HOMOs, so the net result is a large drop in HOMO and smaller drop in LUMO energies upon meso-substituted catecholic group of the porphyrin macrocycle as shown in KP99151 and KP99152 of Figure 5(a). These results are in reasonable agreement with normal-coordinate structural decomposition (NSD) results. The HOMO-LUMO gap is an important factor to consider in the development of photodynamic therapy (PDT).

치면착색제를 이용한 광역동 치료의 항균 효과 (Antimicrobial Effect of Photodynamic Therapy Using Plaque Disclosing Agent)

  • 고준희;박호원;이주현;서현우;이시영
    • 대한소아치과학회지
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    • 제47권2호
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    • pp.120-127
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    • 2020
  • 이 연구의 목적은 치면착색제인 10 - 20 mM erythrosine을 광감각제로 사용한 광역동 치료의 항균 효과를 평가하는 것이다. Streptococcus mutans, Lactobacillus casei, Candida albicans를 포함하는 다종 우식원성 세균막을 hydroxyapatite disc에 형성하였다. 광감각제로 20 μM, 10 mM, 20 mM erythrosine을 3분간 적용 후 24초 동안 광조사를 시행하였다. 각 실험군의 Colony-forming unit (CFU)을 측정하고 세균막을 Confocal laser scanning microscopy (CLSM)을 이용하여 관찰하였다. 10 - 20 mM erythrosine을 광감각제로 사용한 광역동 치료 실험군에서 CFU의 현저한 감소가 관찰되었고, 그 결과는 CLSM 관찰에서도 확인되었다. 이번 연구를 통해 치과 임상에서 사용되는 치면착색제를 광감각제로 이용한 광역동 치료의 높은 항균효과를 확인할 수 있었다.

Efficacy of Multiple Low-dose Photodynamic TMPYP4 Therapy on Cervical Cancer Tumour Growth in Nude Mice

  • Liu, Ai-Hong;Sun, Xuan;Wei, Xiao-Qiang;Zhang, You-Zhong
    • Asian Pacific Journal of Cancer Prevention
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    • 제14권9호
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    • pp.5371-5374
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    • 2013
  • Objective: Photodynamic therapy (PDT) is an emerging therapeutic procedure suitable for the treatment of cervical cancer. However, the side effects of PDT are severe, including skin ulceration, so we designed an experiment to examine the effects of multiple low-dose photodynamic therapy of 5, 10, 15, 20-tetrakis(1-methylpyridinium-4-yl) porphyrin (Tmpyp4) on tumour growth by utilizing a model in nude mice implanted with Hela cervical cancer cells. Materials and Methods: Female BALB/c nude mice (aged 5-6 weeks, weighing 18-20 g) were used. Hela cervical cancer cells were injected subcutaneously ($1{\times}10^7cells/200{\mu}L$). Ten days after injection, the mice were divided into three groups (n=6), the A group of controls without any treatment, the B group receiving a single-treatment with Tmpyp4 (10 mg/kg, intratumor injection) and irradiation (blue laser, $108J/cm^2$), and the C group given three-treatments with Tmpyp4 (10 mg/kg, intratumor injection) and irradiation at intervals of two days. After starting treatment, tumours were measured every two days, to assess growth. At 2 weeks after the last treatment of C group, tumour tissue and organs were collected from each mouse to evaluate tumor histology and organ damage. Results: Tumour growth in C group was significantly inhibited compared with A and B groups (P<0.05), without any injury to the skin and internal organs. Conclusion: Our novel findings demonstrated that multiple low-dose photodynamic therapy of Tmpyp4 could inhibit cervical cancer growth significantly with no apparent side effects.

GafChromic RTQA Film을 이용한 광역학적 치료용 레이저의 선질 측정 (GafChromic RTQA Film Dosimetry for Laser Beam with Photodynamic Therapy)

  • 이병구;임현수;네클라 커나르
    • 대한의용생체공학회:의공학회지
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    • 제34권2호
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    • pp.73-79
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    • 2013
  • Purpose: The purposes of this study were to measure the dose distribution of Photodynamic therapy(PDT) laser with 635 nm wavelength using GafChromic film. Method & Result: We made each output 300 J by changing mW and sec using the laser beam radiation mode such as C.W(Continuous Wave) mode, Pulse mode and Burst Pulse mode and measured the does at 0 mm and 5 mm of distance from optic fiber catheter end to the film, and at 5 mm distance by changing the angle of the end of the optic fiber catheter as $0^{\circ}$ and $0.5^{\circ}$. The radiated film was scanned and OD(Optical Density) was compared. And two-dimensional isodose curves were obtained and the consistency of shapes was compared. It was confirmed that there was consistency between optic density and the dose radiated on the film when we radiated GafChromic film by changing distance and angle of 300 J output in each radiation mode coordinating mW and sec. Conclusion: In this study, we could identify the stability according to changes in laser beam modes, changes in output according to distance, changes in uniformity according to angle, and beam profiles using GafChromic film, and we could also get two-dimensional isodose curve. It was found that small change in the distance and angle that is made when optic fiber catheter was contacted on the treatment area did not make big effects on the output of beam and the uniformity of dose, and it was also found that GafChromic film could be utilized for the purpose of QA of PDT laser beam.

Monte Csrlo 시뮬레이션을 이용한 생체조직내의 광선량 측정 (Measuring the Light Dosimetry Within Biological Tissue Using Monte Carlo Simulation)

  • 임현수;구철희
    • 대한의용생체공학회:의공학회지
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    • 제20권2호
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    • pp.199-204
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    • 1999
  • 생체조직내의 정확한 광선량 측정이 PDT 치료의 효과에 중요한 영향을 주므로 본 연구에서는 광선량 측정을 위해서 Monte Carlo 시뮬레이션을 이용하였다. 실험에 사용한 계수는 실제 생체조직의 광학계수이고 위상함수는 Henyey-Greenstein 위상함수를 사용하였다. 결과는 깊이에 따른 Fluency rate의 변화로 나타내었으며 기존 이론과의 차이는 0.35%에 지나지 않았다. 실험에 사용한 생체조직은 인체조직, 돼지조직, 쥐간조직, 토기근육조직이다. 대부분의 생체조직은 가시광선영역에서 큰 산란계수를 가지고 있으며 이것은 투과도에 큰 영향을 미치는 것으로 밝혀졌다. 가시광선 영역에서 인체조직의 투과 깊이는 1.5~2cm이었다. Monte Carlo 시뮬레이션을 이용하여 생체조직내의 광전파(light propagation), 광선량(light dosimetry), 에너지율(fluence rate), 투과깊이(penetration depth)를 효과적으로 측정할 수 있음을 보여주었다.

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Molecular Geometries and Electronic Structures of Methyl Pyropheophorbide-a and (Cationic) Tropolonyl Methyl Pyropheophorbides: DFT Calculation

  • Kim, Na-Ri;Kim, Su-Jin;Kim, Jin-Dong;Huh, Do-Sung;Shim, Young-Key;Choe, Sang-Joon
    • Bulletin of the Korean Chemical Society
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    • 제30권1호
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    • pp.205-213
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    • 2009
  • This study reports on the geometry optimizations and electronic structure calculations for methyl pyropheophorbide (MPPa), tropolonyl methyl pyropheophorbides (TMPPa, ITMPPa), and cationic tropolonyl methyl pyropheophorbides ($TMPPa^+{{\cdot}BF_4}^-,\;ITMPPa^+{{\cdot}BF_4}^-,\;TMPPa^+,\;and\;ITMPPa^+$) using Local Spin Density Approximation (LSDA/ 6-31G*) and the Restricted Hatree-Fock (RHF/6-31G*) level theory. From the calculated results, we found that substituted cationic tropolonyl groups have larger structural effects than those of substituted neutral tropolonyl groups. The order of structural change effects is $ITMPPa^+ > ITMPPa^+{{\cdot}BF_4}^-$ > ITMPPa, as a result of the isopropyl group. Because it is an electron-releasing group, the substituted isopropyl group electronic effect on a 3-position tropolone increases the Highest Occupied Molecular Orbital and Lowest Unoccupied Molecular Orbital (HOMO-LUMO) energy gap. It was constituted that the larger the cationic characters of these photosensitizers, the smaller the HOMOLUMO band gaps are. The orbital energies of the cationic systems and the ions are stronger than those of a neutral system because of a strong electrostatic interaction. However, this stabilization of orbital energies are counteracted by the distortion of chlorin macrocycle, which results in a large destabilization of chlorin-based compound HOMOs and smaller destabilization of LUMOs as shown in TMPPa (ITMPPa), $TMPPa^+{{\cdot}BF_4}^- (ITMPPa^+{{\cdot}BF_4}^-),\;and\;TMPPa^+\;(ITMPPa^+)$ of Figure 6 and Table 6-7. These results are in reasonable agreement with normal-coordinate structural decomposition (NSD) results. The HOMO-LUMO gap is an important factor to consider in the development of photodynamic therapy (PDT).

음성인식에서 문맥의존 음향모델의 성능향상을 위한 유사음소단위에 관한 연구 (A Study on Phoneme Likely Units to Improve the Performance of Context-dependent Acoustic Models in Speech Recognition)

  • 임영춘;오세진;김광동;노덕규;송민규;정현열
    • 한국음향학회지
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    • 제22권5호
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    • pp.388-402
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    • 2003
  • In this paper, we carried out the word, 4 continuous digits. continuous, and task-independent word recognition experiments to verify the effectiveness of the re-defined phoneme-likely units (PLUs) for the phonetic decision tree based HM-Net (Hidden Markov Network) context-dependent (CD) acoustic modeling in Korean appropriately. In case of the 48 PLUs, the phonemes /ㅂ/, /ㄷ/, /ㄱ/ are separated by initial sound, medial vowel, final consonant, and the consonants /ㄹ/, /ㅈ/, /ㅎ/ are also separated by initial sound, final consonant according to the position of syllable, word, and sentence, respectively. In this paper. therefore, we re-define the 39 PLUs by unifying the one phoneme in the separated initial sound, medial vowel, and final consonant of the 48 PLUs to construct the CD acoustic models effectively. Through the experimental results using the re-defined 39 PLUs, in word recognition experiments with the context-independent (CI) acoustic models, the 48 PLUs has an average of 7.06%, higher recognition accuracy than the 39 PLUs used. But in the speaker-independent word recognition experiments with the CD acoustic models, the 39 PLUs has an average of 0.61% better recognition accuracy than the 48 PLUs used. In the 4 continuous digits recognition experiments with the liaison phenomena. the 39 PLUs has also an average of 6.55% higher recognition accuracy. And then, in continuous speech recognition experiments, the 39 PLUs has an average of 15.08% better recognition accuracy than the 48 PLUs used too. Finally, though the 48, 39 PLUs have the lower recognition accuracy, the 39 PLUs has an average of 1.17% higher recognition characteristic than the 48 PLUs used in the task-independent word recognition experiments according to the unknown contextual factor. Through the above experiments, we verified the effectiveness of the re-defined 39 PLUs compared to the 48PLUs to construct the CD acoustic models in this paper.

실란 커플링제에 따른 DGEBF 계열 에폭시의 열안정성 및 접착특성 평가 (Effect of Silane Coupling Agent on Thermal Stability and Adhesion Properties of DGEBF Epoxy Resin)

  • 이동수;이슬이;민병각;서영수;이봉한;박수진
    • 폴리머
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    • 제38권6호
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    • pp.787-790
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    • 2014
  • 본 연구에서는 실란 커플링제의 함량에 따른 에폭시 복합재료의 열안정성 및 접착특성을 고찰하기 위하여, 일반적으로 널리 사용되는 diglycidyl ether of bisphenol F(DGEBF)계 에폭시수지에 실란 커플링제로는 3-glycidoxypropyl trimethoxysilane(GPTMS)를 변량 배합하여 에폭시 시편을 제조하였다. TGA 데이터를 통해 고분자 분해온도(polymer decomposition temperature, PDT), 최대 중량 감소 시의 온도(temperature of miximum rate of weight loss, $T_{max}$), 적분 열분해 진행 온도(integral procedural decomposition temperature, IPDT), 그리고 분해 활성화 에너지($E_a$)를 구하였다. 또한 접착특성은 철판 사이에 제조한 에폭시 복합재료를 도포하여 접착력 시편을 제작하고, 상온에서 UTM(universal testing machine)을 사용하여 접착력을 측정하였다. 그 결과, DGEBF계 에폭시의 경우 실란커플링제 도입에 따라 미처리 에폭시 복합재료에 비해 접착력이 향상되었고, 일정 함량 도입 후에는 접착력이 오히려 감소하는 경향을 보였다.