• Title/Summary/Keyword: potential state

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Photophysical Efficiency Factors of Singlet Oxygen Generation from Core-modified Trithiasapphyrin Derivatives

  • Ha, Jeong-Hyon;Kim, Min-Sun;Park, Yong-Il;Ryu, Shin-Hyung;Park, Mi-Gnon;Shin, Koo;Kim, Yong-Rok
    • Bulletin of the Korean Chemical Society
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    • v.23 no.2
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    • pp.281-285
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    • 2002
  • The photophysical properties and the singlet oxygen generation efficiencies of meso-tetraphenyl-trithiasapphyrin $(S_3TPS)$ and meso-tetmkis(p-methoxy phenyl)-trithiasapphy rin ((p-MeO)-$S_3TPS$) have been investigated, utilizing steady-state and time-resolved spectroscopic methods to elucidate the possibility of their use as photosensitizers for photodynamic therapy (PDT). The observed photophysical properties were compared with those of other porphyrin-like photosensitizers in geometrical and electronic structural aspects, such as extended ${\pi}$ conjugation, structural distortion, and internal heavy atoms. The steady-state electronic absorption and fluorescence spectra were both red-shifted due to the extended ${\pi}$-conjugation. The fluorescence quantum yields were measured as very small. Even though intersystem crossing rates were expected to increase due to the increment of spin orbital coupling, the triplet quantum yields were measured as less than 0.15. Such characteristics can be ascribed to the more enhanced internal conversion rates compared with the intersystem crossing rates. Furthermore, the triplet state lifetimes were shortened to -1.0 ${\mu}s$ as expected. Therefore, the singlet oxygen quantum yields were estimated to be near zero due to the fast triplet state decay rates and the inefficient energy transfer to the oxygen molecule as well as the low triplet quantum yields. The low efficiencies of energy transfer to the oxygen molecule can be attributed to the lower oxidation potential and/or the energetically low lying triplet state. Such photophysical factors should be carefully evaluated as potential photosensitizers that have extended ${\pi}$-conjugation and heavy core atoms synthesized for red-shifted absorption and high triplet state quantum yields.

3D-QSAR and Molecular Docking Studies on Benzotriazoles as Antiproliferative Agents and Histone Deacetylase Inhibitors

  • Li, Xiaolin;Fu, Jie;Shi, Wei;Luo, Yin;Zhang, Xiaowei;Zhu, Hailiang;Yu, Hongxia
    • Bulletin of the Korean Chemical Society
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    • v.34 no.8
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    • pp.2387-2393
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    • 2013
  • Benzotriazole is an important synthetic auxiliary for potential clinical applications. A series of benzotriazoles as potential antiproliferative agents by inhibiting histone deacetylase (HDAC) were recently reported. Three-dimensional quantitative structure-activity relationship (3D-QSAR), including comparative molecular field analysis (CoMFA) and comparative molecular similarity indices analysis (CoMSIA), were performed to elucidate the 3D structural features required for the antiproliferative activity. The results of both ligand-based CoMFA model ($q^2=0.647$, $r^2=0.968$, ${r^2}_{pred}=0.687$) and CoMSIA model ($q^2=0.685$, $r^2=0.928$, ${r^2}_{pred}=0.555$) demonstrated the highly statistical significance and good predictive ability. The results generated from CoMFA and CoMSIA provided important information about the structural characteristics influence inhibitory potency. In addition, docking analysis was applied to clarify the binding modes between the ligands and the receptor HDAC. The information obtained from this study could provide some instructions for the further development of potent antiproliferative agents and HDAC inhibitors.

Evaluation of Leaching Potential of Heavy Metals from Bottom Ashes Generated in Coal-fired Power Plants in Korea (국내 석탄 화력발전소 배출 바닥재의 중금속 용출 가능성 평가)

  • Park, Dongwon;Choi, Hanna;Woo, Nam C.;Kim, Heejoung;Chung, David
    • Journal of Soil and Groundwater Environment
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    • v.18 no.7
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    • pp.32-40
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    • 2013
  • This study was objected to evaluate the potential impact on the groundwater environment of the coal bottom ash used as fill materials on the land surface. From four coal-fired power plants, bottom-ashes were collected and analyzed through sequential extraction and column leaching tests following the meteoric water mobility procedure. The column tests shown leaching heavy metals including Pb, As, B, Cu, Zn, Mn, Ni, Ba, Sr, Sb, V, Cr, Mo, and Hg. The relatively high concentrations of B, Sr, Ba, and V in leachate were attributed to both the higher concentrations in the bottom ash and the relatively higher portion of leachable state, sorbed state, of metals. Bottom-ash samples from the D-plant only show high leaching potential of sulfate ($SO_4$), probably originated from the coal-combustion process, called the Fluidized Bed Combustion. Consequently, to manage recycling bottom ashes as fill materials, an evaluation system should be implemented to test the leaching potentials of metals from the ashes considering the absolute amount of metals and their state of existence in ashes, and the coal-combustion process.

Analysis of Meridians Potential Change for Meridians State Diagnosis (경락상태진단을 위한 경락의 전위변화 분석)

  • 이용흠;고수복;정석준;정동명
    • Journal of Biomedical Engineering Research
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    • v.23 no.5
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    • pp.405-412
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    • 2002
  • The principle of Acupuncture effect on meridians is what physical stimulation does on general physiology so that is gets into new equilibrium from the fallen function state of human body. However, in western medicine, it is generally accepted that the action passageway of various kinds stimulation has been regarded as nerve-endocrine-immune system. Acupuncture effect has been regarded any action for all meridians as a respones by the stimulation. Western medicine doesn's accept treatment for transmission of the bio-energy. In this paper, we compared change of electric potential when an acupuncturist's bio-energy is passed on and when is not. As a result of clinics, the acupuncture effect is different as acupuncture method, when an acupuncturist's bio-energy is passed on the meridian and it isn's. It implies that acupuncture effect can complicately respond by simple acupuncture stimulus and transmission of bio-energy, on same meridian. We could confirm the relationship between an acupuncturist's energy transmission and acupuncture effect. Therefore, we could diagnosis the state of meridian using change of electric potential on the same meridian.

Enhancing Multiple Steady-State Visual Evoked Potential Responses Using Dual-frequency tACS (이중 주파수 tACS를 이용한 안정상태 시각 유발 전위 반응 향상)

  • Jeonghui Kim;Sang-Su Kim;Young-Jin Jung;Do-Won Kim
    • Journal of Biomedical Engineering Research
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    • v.45 no.2
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    • pp.101-107
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    • 2024
  • Steady-state visual evoked potential-based brain-computer interface (SSVEP-BCI) is one of the promising systems that can serve as an alternative input device due to its stable and fast performance. However, one of the major bottlenecks is that some individuals exhibit no or very low SSVEP responses to flickering stimulation, known as SSVEP illiteracy, resulting in low performance on SSVEP-BCIs. However, a lengthy duration is required to enhance multiple SSVEP responses using traditional single-frequency transcranial alternating current stimulation (tACS). This research proposes a novel approach using dual-frequency tACS (df-tACS) to potentially enhance SSVEP by targeting the two frequencies with the lowest signal-to-noise ratio (SNR) for each participant. Seven participants (five males, average age: 24.42) were exposed to flickering checkerboard stimuli at six frequencies to determine the weakest SNR frequencies. These frequencies were then simultaneously stimulated using df-tACS for 20 minutes, and the experiment was repeated to evaluate changes in SSVEP responses. The results showed that df-tACS effectively enhances the SNR at each targeted frequency, suggesting it can selectively improve target frequency responses. The study supports df-tACS as a more efficient solution for SSVEP illiteracy, proposing further exploration into multi-frequency tACS that could stimulate more than two frequencies, thereby expanding the potential of SSVEP-BCIs.

Investigation of the Reaction Coordinate for Dissociation in $Cr(CO)_6$ Using Resonance Raman Spectroscopy

  • 유수창;고석범;J. B. Hopkins
    • Bulletin of the Korean Chemical Society
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    • v.16 no.11
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    • pp.1043-1045
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    • 1995
  • The overtone of the ν2 vibrational mode in Cr(CO)6 are observed for the first time in cyclohexane and methanol at both the 266 and 213 nm excitations. The appearance of the overtones due to the displacement of the electronic excited state with respect to the ground state along the ν2 vibrational mode is interpreted in terms of wavepacket concept and molecular orbital (MO) theory. Our Raman results suggest a new interpretation for the excited state potential.

Effects of Amino Substitution on the Excited State Hydrogen Transfer in Phenol: A TDDFT Study

  • Kim, Sang-Su;Kim, Min-Ho;Kang, Hyuk
    • Bulletin of the Korean Chemical Society
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    • v.30 no.7
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    • pp.1481-1484
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    • 2009
  • When isolated phenol or a small phenol-solvent cluster is excited to the $S_1\;state\;of\;{\pi}{\pi}^*$ character, the hydrogen atom of the hydroxyl group dissociates via a ${\pi}{\sigma}^*$ state that is repulsive along the O-H bond. We computationally investigated the substitution effects of an amino group on the excited state hydrogen transfer reaction of phenol. The time-dependent density functional theory (TDDFT) with B3LYP functional was employed to calculate the potential energy profiles of the ${\pi}{\pi}^*$ and the ${\pi}{\sigma}^*$ excited states along the O-H coordinate, together with the orbital shape at each point, as the position of the substituent was varied. It was found that the amino substitution has an effect of lowering the ${\pi}{\sigma}^*$ state and enhancing the excited state hydrogen transfer reaction.

Challenges and Improvements of All-Solid-State Batteries

  • Jihyun Jang
    • Journal of the Korean Chemical Society
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    • v.67 no.3
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    • pp.165-174
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    • 2023
  • The development of all-solid-state batteries (ASSBs) has been gaining attention in recent years due to their potential to offer higher energy densities, improved safety, and longer cycle life compared to conventional lithium-ion batteries. However, several challenges must be addressed to achieve the practical application of ASSBs, such as the development of high-performance solid-state electrolytes, stable electrode-electrolyte interfaces, and cost-effective manufacturing processes. In this review paper, we present an overview of the current state of ASSB research, including recent progress in solid-state electrolyte and cathode/anode materials, and cell architecture. We also summarize the recent advancements and highlight the remaining challenges in ASSB research, with an outlook on the future of this promising technology.

Potential Methane Production on Anaerobic Co-digestion of Swine Manure and Food Waste

  • Shin, Joung-Du;Park, Sang-Won;Kim, Sang-Hyoun;Duangmanee, Jack;Lee, Po-Heng;Sung, Shi-Hwu;Lee, Bong-Hoon
    • Korean Journal of Environmental Agriculture
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    • v.27 no.2
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    • pp.145-149
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    • 2008
  • Anaerobic co-digestion of swine manure and food waste for biogas production was performed in serum bottles at various volatile solids(VS) contents and mixing ratios of two substrates(swine manure:food waste=$100:0{\sim}0:100$). Through kinetic mode of surface methodology, the methane production was fitted to a Gompertz equation. The ultimate methane production potential of swine manure alone was lower than that of food waste regardless of VS contents. However, it was appeared that maximum methane production potentials in 80 : 20 of the mixing rate at VS 3% was enhanced at 144.7%, compared to its only swine manure. The potential increased up to 815.71 ml/g VS fed as VS concentration and food composition increased up to 3.0% and 20%, respectively. The ultimate amount of methane produced had significantly a positive relationship with that of methane yield rate. Overall, it would be strongly recommended that feeding stocks use 20% of mixing ratio of food waste based on VS 3% contents when operating the anaerobic reactor on site at $35^{\circ}C$ if not have treatment of its anaerobic waste water.