• 제목/요약/키워드: Structure-Activity Relationship

검색결과 543건 처리시간 0.031초

TiO2 광촉매를 함유한 PET와 나일론 6 나노복합체막의 자외선/오존에 대한 안정성 (The UV/Ozone Stability of PET and Nylon 6 Nanocomposite Films Containing TiO2 Photocatalysts)

  • 진성우;장진호
    • 한국염색가공학회지
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    • 제26권2호
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    • pp.88-98
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    • 2014
  • This study is to assess the photocatalytic degradation of PET and Nylon 6 films containing nano-sized $TiO_2$ powders of anatase and rutile types. The PET and Nylon 6 films containing six kinds of the nanoparticles were prepared by melt casting method using a heating press machine. Reflectance in visible region and water contact angles of the irradiated PET and Nylon 6 composite films decreased with increasing UV/$O_3$ irradiation. Also the enhanced hydrophilicity has a close relationship with the increase in the Lewis base parameter, which indicates more oxidized polymer surfaces. The photocatalytic degradation of the nanocomposite films increased with increasing $TiO_2$ content and UV energy, which is more significant with the anatase types rather than the rutile types. The amide linkages in the Nylon 6 seemed to be more susceptible to the UV light compared to the ester groups in the PET, particularly in the presence of the $TiO_2$ photocatalysts. The photoscission and photodegradation of the polymers in the composites produced more degraded structure assisted by the photocatalytic activity of the $TiO_2$ nanoparticles. Also the composite films can bleach the methylene blue dyes more easily under the UV/$O_3$ irradiation, suggesting the photobleaching activity of the $TiO_2$ nanoparticles.

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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    • 제34권8호
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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.

저작근 및 경부근 긴장도가 측두하악장애에 미치는 영향 (Effects of Masseter and Cervical Muscle Activity in Temporomandibular Joint Disorder)

  • 정재영;김성수
    • 한방재활의학과학회지
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    • 제20권3호
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    • pp.37-60
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    • 2010
  • Objectives : The purpose of this study was to investigate the relationship between masseter and cervical muscle activity and temporomandibular disorder in female office workers. Methods : Experimental group of 24 healthy subjects complained of temporomandibular joint related to computer use which lasted more than 3 months in the past year and was present in the past 7 days as well as on the day of test. Control group of 20 healthy subjects had no complaints of minimal discomfort on the day of test, and had no discomfort in the past 7 days. If they had reported discomfort in the past 12 months, it was of a short duration(<3 months) and resolved at least 3 months prior to participation. Outcomes were assessed by meridian-electromyography(MEMG), whole spin x-ray, mandibular function impairment questionnaire(MFIQ), neck disability index(NDI), visual analog scale(VAS), Beck depression inventory(BDI), stress reaction inventory(SRI) and Holmes & Rahe social readjustment rating scale(SRRS). Results : The contraction power of masseter muscle, upper trapezius, sternocleido-mastoid muscle and erector spinae by MEMG was significantly higher in the experimental group. The muscle fatigue of masseter muscle and sternodeido-mastoid muscle by MEMG was significantly higher in the experimental group. SRI was significantly higher in experimental group. There was no significant difference between two groups in the Jackson's angle, Cobb's method and cranio-cervical posture. Conclusions : The results suggest that temporomandibular disorder related mental stress but physical stress does not change cervical structure significantly.

Benzaldehyde as a new class plant growth regulator on Brassica campestris

  • Choi, Geun-Hyoung;Ro, Jin-Ho;Park, Byoung-Jun;Lee, Deuk-Yeong;Cheong, Mi-Sun;Lee, Dong-Yeol;Seo, Woo-Duck;Kim, Jin Hyo
    • Journal of Applied Biological Chemistry
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    • 제59권2호
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    • pp.159-164
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    • 2016
  • Plant growth regulator is an essential pesticide to date while the available active ingredient is not well understood unlike fungicide, insecticide and herbicide. This study was aimed to evaluate a new chemical class of plant growth regulator, and the total of 92 benzene derivatives were screened for their germination and early stage of the root growth regulation on Brassica campestris. Thirty benzaldehydes, nine acids, one amide, and one ester showed potent root growth inhibitory activity (>70 % inhibition) while only salicylaldehyde showed potent germination inhibition ($IC_{50}=81.2mg/L$) suggesting that benzaldehyde was a key module candidate for the growth inhibition. Benzaldehydes were further evaluated for root growth inhibition. 2,3-Dihydroxybenzaldehyde and salicylaldehyde showed $IC_{50}$ values of 8.0 and 83.9 mg/L, respectively. On the other hand, salicylaldehyde, and 2,4,5-trihydroxybenzaldehyde were found to have root growth promotion effects less than 10 mg/L. This result suggests that the benzaldehyde is a new class candidate for plant growth regulator.

Structural Requirements for Modulating 4-Benzylpiperidine Carboxamides from Serotonin/Norepinephrine Reuptake Inhibitors to Triple Reuptake Inhibitors

  • Paudel, Suresh;Kim, Eunae;Zhu, Anlin;Acharya, Srijan;Min, Xiao;Cheon, Seung Hoon;Kim, Kyeong-Man
    • Biomolecules & Therapeutics
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    • 제29권4호
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    • pp.392-398
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    • 2021
  • In this study, we determined the effect of 24 different synthetic 4-benzylpiperidine carboxamides on the reuptake of serotonin, norepinephrine, and dopamine (DA), and characterized their structure-activity relationship. The compounds with a two-carbon linker inhibited DA reuptake with much higher potency than those with a three-carbon linker. Among the aromatic ring substituents, biphenyl and diphenyl groups played a critical role in determining the selectivity of the 4-benzylpiperidine carboxamides toward the serotonin transporter (SERT) and dopamine transporter (DAT), respectively. Compounds with a 2-naphthyl ring were found to exhibit a higher degree of inhibition on the norepinephrine transporter (NET) and SERT than those with a 1-naphthyl ring. A docking simulation using a triple reuptake inhibitor 8k and a serotonin/norepinephrine reuptake inhibitor 7j showed that the regions spanning transmembrane domain (TM)1, TM3, and TM6 form the ligand binding pocket. The compound 8k bound tightly to the binding pocket of all three monoamine reuptake transporters; however, 7j showed poor docking with DAT. Co-expression of DAT with the dopamine D2 receptor (D2R) significantly inhibited DA-induced endocytosis of D2R probably by reuptaking DA into the cells. Pretreatment of the cells with 8f, which is one of the compounds with good inhibitory activity on DAT, blocked DAT-induced inhibition of D2R endocytosis. In summary, this study identified critical structural features contributing to the selectivity of a molecule for each of the monoamine transporters, critical residues on the compounds that bound to the transporters, and the functional role of a DA reuptake inhibitor in regulating D2R function.

ICF 모델 기반 신경계 환자 물리치료 평가 도구 사용 조사 (Evaluation Tools for Patients with Neurologic Disorders Based on the ICF Model: A Survey of Korean Physical Therapists)

  • 이지아;우영근;원종임;김수진
    • PNF and Movement
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    • 제20권3호
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    • pp.359-370
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    • 2022
  • Purpose: Physical therapists are required to properly choose the most appropriate treatment for each patient within the framework of the International Classification of Functioning, Disability, and Health (ICF model). The aims of this study were to determine whether neurological physical therapists in clinical settings in South Korea know about the ICF model and to investigate the current trends of outcome measures (OMs) used by them. Methods: Two hundred and one physical therapists who worked with patients with neurological disorders participated in this study. The survey was conducted via e-mail and asked about commonly used OMs and the considerations for selecting OMs. Results: All physical therapists involved in this study responded completely, and 45.8% of participants learned about the ICF model, while 37.3% understood the detailed information related to the ICF model. The rest of the participants did not know or just heard about the ICF model. The most frequently used tools at the body function/structure level were the Range of Motion (98%), Manual Muscle Test (97%), Berg Balance Scale (83.1%), and Modified Ashworth Scale (70.6%) when allowing repetition. At the activity level, the 10-meter walk test (71.1%), 6-minute walk test (54.2%), and Functional Ambulatory Category (43.3%) were used, while the Activity-Specific Balance Confidence Scale (23.9%) was used at the participation level. There was a positive relationship between the number of tools used and years of work, as well as the level of understanding of the ICF model. Conclusion: The results of this study suggest that it is necessary to learn the ICF model in a clinical setting. In addition, the medical system needs to be modified to encourage physical therapists in South Korea to use proper OMs within the ICF model.

'축원-굿춤' 판의 생성 국면과 사회적 성격 - 동해안별신굿의 경우 - (The Creating Situations and Social Characteristics of Gutchum-pan to Pray - Focused on Donghaeanbyulsingut -)

  • 전성희
    • 공연문화연구
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    • 제38호
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    • pp.349-383
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    • 2019
  • 이 글에서 주목하는 것은 동해안별신굿에서 무당과 마을 사람들이 직접 관계 하면서 생성되는 '축원-굿춤'판이다. 굿판의 흥을 돋우기 위해 굿거리의 말미 또는 굿거리와 굿거리 사이에 집단적으로 벌이는 '허튼춤판'과는 달리, '축원-굿춤'은 매 굿거리에서 축원무가 구연 중에 개별적이고 반복적으로 생성되므로 별신굿을 이해하는 데 매우 중요한 춤이다. 그러므로 '축원-굿춤'판의 생성배경을 살피고, 그것이 어떠한 사회적 성격을 지니는지에 대해 살펴 볼 필요가 있겠다. 산업혁명 이후 기계제공업(機械制工業)이 확립되면서 많은 수공업 생산자들이 소비자의 입장으로 바뀌게 되었으며, 자본주의적 생산양식과 분배법칙은 다양한 마을굿에도 영향을 미치게 되었다. 즉 굿에 필요한 제반시설과 도구 그리고 행위 등이 자본주의적 생산과 소비 체제 속에 편입된 것이다. 이로 인해 전통적으로 굿에서 '정성'을 상징했던 시간과 행위 그리고 제물 등이 지닌 의미는 기계의 대량생산화와 자본의 흐름 속에 희석되었다. 그리고 별신 굿 기간 동안 행해지는 모든 가무악 연행은 자본/노동적 가치로 산출될 수있는데, 특히 '축원'이 '춤'으로 이어질 경우, 무당은 자본적 이익[별비]과 노동의 가치를 획득하게 된다. 그러므로 넓은 의미에서 '재수굿'에 해당되는 '축원-굿춤'판에 포함된 '축원[말]과 춤[몸짓]'의 생산 활동은 동해안별신굿이 갖는 전통적인 제의적 맥락과 더불어 한국 자본주의의 문화적 맥락 속에 놓여있다고 할 수 있겠다. '축원-굿춤'의 특징을 요약하면 다음과 같다. 첫째, '축원-굿춤'은 '마을공동체→소집단별 경쟁→개별적 경쟁'으로 이어진다. 둘째, '축원 무가' 구연이 지속적으로 반복될수록 이와 관련된 연행이 '굿춤'으로 이어질 가능성은 점점 줄어들게 된다. 셋째, 다양한 축원의 대상들 중에서 특히 어촌 사람들의 생업 활동과 관련된 직간접적인 공감대가 형성되었을 경우 '축원→굿춤'으로 잘 연결된다. 넷째, 축원의 범주에 포함되지 못한 집단은 반복적으로 '축원-굿춤'판에서 소외될 수 있다.

9-Meric Peptide Analogs of Defensin-like Antimicrobial Peptide Coprisin with Potent Antibacterial Activities with Bacterial Sell Selectivites

  • Shin, Areum;Lee, Eunjung;Kim, Jin-Kyoung;Bang, Jeong-Kyu;Kim, Yangmee
    • Bulletin of the Korean Chemical Society
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    • 제35권9호
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    • pp.2809-2812
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    • 2014
  • The 43-residue defensin-like peptide coprisin, which is isolated from dung bettle, Copris tripartitus, is a potent antimicrobial peptide. In our previous work, we determined the tertiary structure of coprisin and found that alpha helical region of coprisin from residue 19 to residue 30 is important for its antimicrobial activities. Here, we designed cop12mer and cop9mer analogs of coprisin based on the tertiary structure of coprisin. To investigate the relationship between hydrophobicity and antimicrobial activities and develop the potent peptide antibiotics, we designed cop9mer-1 with substitution of $His^2$ with Trp in cop9mer. The results showed that cop9mer-1 has higher toxicities as well as improved antimicrobial activities compared to cop9mer. In order to reduce the toxicity of cop9mer-1, we designed cop9mer-2 and cop9mer-3 with substitution of $Cys^3$ with Lys or Ser. Substitution of $Cys^3$ with these hydrophilic amino acids results in lower cytotoxicities compared to cop9mer-1. Cop9mer-2 with substitution of $Cys^3$ with Lys in Cop9mer-1 showed high antibacterial activities against drug resistant bacteria without cytotoxicity. Antibiotic action of cop9mer-1 analog appears to involve permeabilization of the bacterial cell membrane while cop9mer-2 and cop9mer-3 may have different mechanism of action. These results imply that that optimum balance in hydrophobicity and hydrophilicity in these 9-meric peptides plays key roles in their antimicrobial activities as well as cytotoxicities.

조합화학과 QSAR를 이용한 SrO-B2O3-P2O5 3원계 청색형광체 개발 (Screening of SrO-B2O3-P2O5 Ternary System by Combinatorial Chemistry and QSAR)

  • 유정곤;백종호;조상호;손기선
    • 한국세라믹학회지
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    • 제42권6호
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    • pp.391-398
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    • 2005
  • It is known that $BaMgAl_{10}O_{17}:Eu^{2+}(BAM)$ phosphors currently used have a serious thermal degradation problem. We screened $SrO-B_2O_3-P_2O_5$ system by a solution combinatorial chemistry technique in an attempt to search for a thermally stable blue phosphor for PDPs. A Quantitative Structure Activity Relationship (QSAR) was also obtained using an artificial neural network trained by the result fiom the combinatorial screening. As a result, we proposed a promising composition range in the $SrO-B_2O_3-P_2O_5$ ternary library. These compositions crystallized into a single major phase, $Sr_6BP_5O_{20}:Eu^{2+}$. The structure of $Sr_6BP_5O_{20}:Eu^{2+}$ was clearly determined by ab initio calculation. The luminescent efficiency of $Sr_6BP_5O_{20}:Eu^{2+}$ was 2.8 times of BAM at Vacuum Ultra Violet (VUV) excitation. The thermal stability was also good but the CIE color chromaticity was slightly poor.

페라이트 촉매의 Cr 치환효과와 에틸벤젠의 탈수소반응 (The Effects of Cr-Substitution in Ferrite Catalysts and the Catalytic Dehydrogenation of Ethylbenzene)

  • 임기철;김을산;이호인
    • 공업화학
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    • 제2권3호
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    • pp.279-288
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    • 1991
  • 몇 종류의 산화물을 혼합하여 그 장점들이 촉매의 특성으로 나타나도록 하는 복합산화물 촉매의 한 종류로서 스피넬 구조를 이루는 Mg- 및 Zn-페라이트를 촉매로 선정하여 Cr 치환에 따른 물성을 분석하고, 에틸벤젠의 탈수소 반응에 대하여 연구하였다. 촉매의 특성 분석에는 XRD, BET, TG/DTA, ESCA, TEM, TPD등의 분석법을 사용하였다. 페라이트 촉매에 대한 Cr 치환 효과를 검토하기 위하여 물성을 종합적으로 분석한 결과, 표면으로의 확산이 용이한 Cr 은 촉매의 표면적 증가와 구조의 안정성에 기여하는 구조적인 조촉매로서 작용하였다. 촉매의 반응성 실험에 있어서는 Cr의 치환에 따른 활성변화를 검토하였는데, $MgCr_xFe_{2-x}O_4$ 촉매에서 Cr 치환량이 증가할수록 산소의 유동성이 작아져 완전산화반응이 억제되고 스티렌으로의 선택도가 증가하였다.

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