• Bulletin of the Korean Chemical Society
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• 제33권6호
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• pp.1998-2004
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• 2012

We carried out DFT calculations for monohydrated sulfuric and phosphoric acids. We are interested in clusters which differ in orientation of hydrogen atoms only. Such molecular complexes are close in energy, since they lie in the vicinity of the global minimum energy structure on the flat potential energy surface. For monohydrated sulfuric acid we identified four different isomers. The monohydrated phosphoric acid forms five different conformers. These systems are difficult to study from the theoretical point of view, since binding energy differences in several cases are very small. For each structure, we calculated harmonic vibrational frequencies to be sure that if the optimized structures are at the local or global minima on the potential energy surface. The analysis of calculated -OH vibrational frequencies is useful in interpretation of infrared photodissociation spectroscopy experiments. We employed four different DFT functionals in our calculations. For each structure, we calculated binding energies, thermodynamic properties, and harmonic vibrational frequencies. Our analysis clearly shows that DFT approach is suitable for studying monohydrated inorganic acids with different hydrogen atom orientations. We carried out MP2 calculations with aug-cc-pVDZ basis set for both monohydrated acids. MP2 results serve as a benchmark for DFT calculations.

• Bulletin of the Korean Chemical Society
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• 제33권10호
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• pp.3285-3292
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• 2012

The interaction of thiazole drug with (6,0) zigzag single-walled boron nitride nanotube of finite length in gas and solvent phases was studied by means of density functional theory (DFT) calculations. In both phases, the binding energy is negative and presenting characterizes an exothermic process. Also, the binding energy in solvent phase is more than that the gas phase. Binding energy corresponding to adsorption of thiazole on the BNNT model in the gas and solvent phases was calculated to be -0.34 and -0.56 eV, and about 0.04 and 0.06 electrons is transferred from the thiazole to the nanotube in the phases. The significantly changes in binding energies and energy gap values by the thiazole adsorption, shows the high sensitivity of the electronic properties of BNNT towards the adsorption of the thiazole molecule. Frontier molecular orbital theory (FMO) and structural analyses show that the low energy level of LUMO, electron density, and length of the surrounding bonds of adsorbing atoms help to the thiazole adsorption on the nanotube. Decrease in global hardness, energy gap and ionization potential is due to the adsorption of the thiazole, and consequently, in the both phases, stability of the thiazole-attached (6,0) BNNT model is decreased and its reactivity increased. Presence of polar solvent increases the electron donor of the thiazole and the electrophilicity of the complex. This study may provide new insight to the development of functionalized boron nitride nanotubes as drug delivery systems for virtual applications.

• 대한기계학회논문집A
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• 제40권6호
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• pp.581-585
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• 2016

최근 고령화 사회에 진입과 소득수준이 향상됨에 따라 의료 수요가 빠르게 증가되고 있다. 이중 신약 개발은 의료분야의 핵심 분야 중 하나로 전 세계적으로 많은 투자가 연구가 이루어지고 있다. 신약 개발의 중요한 과제 중 하나는 다양한 후보를 빠르고 정확하게 발굴하는 자동화 시스템을 개발하는 것이다. 고속으로 후보물질을 발굴하는 기술 중 대표적 기술이 세포 기반 고집적 스크리닝 시스템(High Contents Screening, 이하 HCS) 기술이다. 이 HCS 시스템에서 다양한 물질을 한꺼번에 스크리닝하기 위해서는 다기능 고정밀 디스팬서 제작이 필수적이다. 본 연구에서는 기존의 HCS 디스팬서 시스템이 가지고 있는 단점을 보완하기 위해 에어건과 압력 구동식 펌프를 이용한 새로운 컨셉의 비접촉식 디스팬서를 개발하고 그 가능성을 확인한다.

• IMMUNE NETWORK
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• 제22권1호
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• pp.4.1-4.22
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• 2022

In the era of immunotherapeutic control of cancers, many advances in biotechnology, especially in Ab engineering, have provided multiple new candidates as therapeutic immuno-oncology modalities. Bispecific Abs (BsAbs) that recognize 2 different antigens in one molecule are promising drug candidates and have inspired an upsurge in research in both academia and the pharmaceutical industry. Among several BsAbs, T cell engaging BsAb (TCEB), a new class of therapeutic agents designed to simultaneously bind to T cells and tumor cells via tumor cell specific antigens in immunotherapy, is the most promising BsAb. Herein, we are providing an overview of the current status of the development of TCEBs. The diverse formats and characteristics of TCEBs, in addition to the functional mechanisms of BsAbs are discussed. Several aspects of a new TCEB-Blinatumomab-are reviewed, including the current clinical data, challenges of patient treatment, drawbacks regarding toxicities, and resistance of TCEB therapy. Development of the next generation of TCEBs is also discussed in addition to the comparison of TCEB with current chimeric antigen receptor-T therapy.

• 한국식품과학회지
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• 제50권1호
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• pp.14-20
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• 2018

본 연구는 국내 유통되는 다양한 식품을 효율적인 방법으로 전처리하고 LC-MS/MS를 이용해 식품 내 PFCs의 분석법을 확립할 목적으로 실시되었다. 109건의 식품을 지방과 단백질의 함량에 따라 두 그룹으로 나누고, 각각의 시료를 분취하여 혼합한 시료를 사용하였다. 지방과 단백질의 함량이 높은 혼합시료는 효소처리와 헥세인 추출을 한 후 ion-pairing방법으로 전처리 후 분석을 실시하였으며, 17 종의 PFCs에 대한 검출한계 값은 0.013-0.145 ng/mL 였고, 두 그룹의 정확도와 정밀도는 각각 Group 1이 78.8-109.8, 0.8-21.1%, Group 2가 80-114.5, 1.7-28.2% 범위를 보여 안정적인 회수율과 정밀도를 보였다. 본 결과로 볼 때 고지방, 고단백질 식품 중 PFCs의 검출에는 효소처리 및 헥세인 처리가 효과적이었으며, 식품 중 지방과 단백질 함량에 따라 전처리 방법을 결정하는 것이 분석의 정확성을 높일 수 있을 것으로 사료된다. 또한 본 연구결과를 통해 추후 국내 유통되는 다양한 식품 내 PFCs의 분석을 위한 전처리 방법으로 적용 가능할 것으로 사료된다.

• 한국경영정보학회:학술대회논문집
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• 한국경영정보학회 2007년도 International Conference
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• pp.557-561
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• 2007

Along with the significance of information systems in today s global business operation, the significance of information systems control and audit is ever increasing in the effort to secure accuracy and integrity of vital business data. A study is undertaken to integrate Food and Drug Administration computerized systems validation regulations. Securities & Exchange Commission Sarbanes-Oxley Act of 200 and other significant regulations, and lastly, People Capability Maturity Model into one comprehensive information system validation model. The initial benefits to this comprehensive model are convenience, time-saving, and synchronization of the regulations. An organization that is striving for a high level of quality system in its essential operating areas of organization may opt for this model. After the complete development of the model, a field test would be scheduled to test its efficacy and validity.

• 한국독성학회:학술대회논문집
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• 한국독성학회 2003년도 춘계학술대회 논문집
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• pp.48-49
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• 2003

Toxicogenomics is a term that represents the merging of toxicology with novel genomics techniques. Microarray, which provides a revolutionary basis to perform global gene expression analyses and to decode biological pathways, has begun to have a major impact on many different fields of drug discovery and development. (omitted)

• Clinical and Experimental Pediatrics
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• 제55권10호
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• pp.359-366
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• 2012

Although most enterovirus infections are not serious enough to be life threatening, several enteroviruses such as enterovirus 71 are responsible for severe, potentially life-threatening disease. The epidemic patterns of enteroviruses occur regularly during the year, but they may change due to environmental shifts induced by climate change due to global warming. Therefore, enterovirus epidemiological studies should be performed continuously as a basis for anti-viral studies. A great number of synthesized antiviral compounds that work against enteroviruses have been developed but only a few have demonstrated effectiveness in vivo. No proven effective antiviral agents are available for enterovirus disease therapy. The development of a new antiviral drug is a difficult task due to poor selective toxicity and cost. To overcome these limitations, one approach is to accelerate the availability of other existing antiviral drugs approved for antiviral effect against enteroviruses, and the other way is to screen traditional medicinal plants.

• 한국자원식물학회:학술대회논문집
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• 한국자원식물학회 2021년도 춘계학술대회
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• pp.3-3
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• 2021

The ongoing global pandemic caused by severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) has not only influenced over 1.26 billion people but also caused 2.77 million deaths worldwide (as of March 28, 2021). The vaccination could be the most efficient strategy to prevent SARS-CoV-2 infection. However, the continuous emergence of novel variants such as VUI-202012/01 (United Kingdom) and 501.V2 (South Africa) raises huge concerns about the effectiveness of the vaccine designed to target the original virus strain. Since ancient times regardless of the East and West, the plants which refered in this presentation have been consumed not only as food but also as a natural medicine to treat diverse diseases including infectious diseases. Importantly, these plants contain secondary metabolites that display antiviral activity involved in the inhibition of viral adsorption, penetration, and replication. Also, plant-derived natural medicines are expected to have a wider range of efficacy and fewer side effects than synthetic medicine, discovering novel plant-based viral agents would be a promising strategy to fight against SARS-CoV-2.

• Journal of Ginseng Research
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• 제48권3호
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• pp.276-285
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• 2024

Diabetes mellitus (DM) is a systemic disorder of energy metabolism characterized by a sustained elevation of blood glucose in conjunction with impaired insulin action in multiple peripheral tissues (i.e., insulin resistance). Although extensive research has been conducted to identify therapeutic targets for the treatment of DM, its global prevalence and associated mortailty rates are still increasing, possibly because of challenges related to long-term adherence, limited efficacy, and undesirable side effects of currently available medications, implying an urgent need to develop effective and safe pharmacotherapies for DM. Phytochemicals have recently drawn attention as novel pharmacotherapies for DM based on their clinical relevance, therapeutic efficacy, and safety. Ginsenosides, pharmacologically active ingredients primarily found in ginseng, have long been used as adjuvants to traditional medications in Asian countries and have been reported to exert promising therapeutic efficacy in various metabolic diseases, including hyperglycemia and diabetes. This review summarizes the current pharmacological effects of ginsenosides and their mechanistic insights for the treatment of insulin resistance and DM, providing comprehensive perspectives for the development of novel strategies to treat DM and related metabolic complications.