• 제목/요약/키워드: Binding Energy

검색결과 771건 처리시간 0.023초

Synthesis of a Novel Anthraquinone Diamino-Bridged Bis(β-cyclodextrin) and Its Cooperative Binding toward Guest Molecules

  • Zhao, Yan;Yang, Zi Ming;Chi, Shao Ming;Gu, Juan;Yang, Yong Cun;Huang, Rong;Wang, Bang Jin;Zhu, Hong You
    • Bulletin of the Korean Chemical Society
    • /
    • 제29권5호
    • /
    • pp.953-958
    • /
    • 2008
  • A novel anthraquinone diamino-bridged bis($\beta$ -cyclodextrin) 2 was synthesized. The inclusion complexation behaviors of the native $\beta$ -cyclodextrin 1 and the novel bis($\beta$ -cyclodextrin) 2 with guests, such as acridine red (AR), neutral red (NR), ammonium 8-anilino-1-naphthalenesulfonate (ANS), sodium 2-(p-toluidinyl) naphthalenesulfonate (TNS) and rhodamine B (RhB) were investigation by fluorescence, circular dichroism and 2D NMR spectroscopy. The spectral titrations were performed in phosphate buffer (pH 7.20) at 25 ${^{\circ}C}$ to give the complex stability constants (Ks) and Gibbs free energy changes (−${\Delta}G^0$) for the stoichiometric 1:1 inclusion complexation of host 1 and 2 with guests. The results indicated that the novel bis($\beta$ -cyclodextrin) 2 greatly enhanced the original binding affinity of the native $\beta$ -cyclodextrin 1. Typically, bis($\beta$ -cyclodextrin) 2 showed the highest binding constant towards ANS up to 34.8 times higher than that of 1. The 2D NMR spectra of bis($\beta$ -cyclodextrin) 2 with RhB and TNS were performed to confirm the binding mode. The increased binding affinity and molecular selectivity of guests by bis($\beta$ -cyclodextrin) 2 were discussed from the viewpoint of the size/shape-fit concept and multipoint recognition mechanism.

HMIPv6환경에서 에너지 효율적인 이동성 관리 기법 (Energy-Efficient Mobility Management Schemes in HMIPv6)

  • 양순옥;김성석;황종선
    • 한국정보과학회논문지:정보통신
    • /
    • 제32권5호
    • /
    • pp.615-624
    • /
    • 2005
  • Mobile IP에서 사용자의 이동성을 지원하기 위해 여러 종류의 메시지 -바인딩 갱신 메시지,바인딩 요청 메시지와 바인딩 응답 메시지- 가 사용된다. 끊김 없도록 이동성 관리를 하기 위해서는 그러한 메시지가 빈번하게 교환되어야 하지만, 이는 네트워크의 부하 증가 및 이동 노드의 에너지 효율성 악화를 유발한다 따라서 서버는 사용자의 위치 추적을 수행하면서 위의 문제를 효과적으로 해결하기 위한 알고리즘이 필요하게 되었으며, 이것은 본 논문에서 주요한 대상이 된다. HMIPv6 환경에서 각 사용자는 과거이동 로그를 지역적으로 저장한 후, 주기적으로 프로파일을 만든다. 이후 어느 영역으로 이동할 때마다 그 지역에서의 예상 상주 시간을 계산하는데, 이 프로파일 정보를 이용하여 메시지의 라이프타임으로 사용하도록 한다. 물론, 프로파일에서 이동 지역별 상주 시간뿐만 아니라 도착 시간까지 고려한 경우, 보다 정확한 라이프타임 값을 얻을 수 있다. HMIPv6 환경에서 제안한 기법들과 기존 기법 사이의 성능을 비교하기 위해 바인딩 갱신 메시지의 대역폭을 측정하는 다양한 실험을 수행하였다 그 결과 이동 노드가 임의의 서브넷에서 13분 이상 상주시 $80\%$이상의 이득을 얻을 수 있었다. 즉, 기존 기법과 동일하게 사용자의 위치를 관리하면서, 바인딩 갱신 메시지 수를 획기적으로 줄임으로써 네트워크 및 이동 단말의 에너지 효율성을 크게 향상시킬 수 있었다.

Cloning and Characterization of Cinnamate-4-Hydroxylase Gene from Rubus occidentalis L.

  • Lee, Eun Mi;Lee, Seung Sik;An, Byung Chull;Barampuram, Shyamkumar;Kim, Jae-Sung;Cho, Jae-Young;Lee, In-Chul;Chung, Byung Yeoup
    • 방사선산업학회지
    • /
    • 제2권3호
    • /
    • pp.97-104
    • /
    • 2008
  • Cinnamate-4-hydroxylase (C4H) is a key enzyme of phenylpropanoid pathway, which leads a variety of secondary metabolites to participate in differentiation and protection of plant against environmental stresses. In this study, we isolated a full-length cDNA of the C4H gene from a black raspberry (Rubus occidentalis L.), using a reverse transcriptase-PCR and rapid amplification of the cDNA ends (RACE)-PCR. The full-length cDNA of the RocC4H gene contained a 1,515 bp open reading frame (ORF) encoding a 504 amino acid protein with a calculated molecular weight of about 57.9 kDa and an isoelectric point (pI) value of 9.1. The genomic DNA analysis revealed that RocC4H gene had three exons and two introns. By multiple sequence alignment, RocC4H protein was highly homologous with other plant C4Hs, and the cytochrome P450-featured motifs, such as the heme-binding domain, the T-containing binding pocket motif (AAIETT), the ERR triad, and the tetrapeptide (PPGP) hinge motif, were highly conserved. Southern blot analysis revealed that RocC4H is a single copy gene in R. occidentalis.

Collagen의 수화에 대한 이론적 연구 (Theoretical Study of the Hydration of Collagen)

  • 이종명;전무식
    • 대한화학회지
    • /
    • 제22권6호
    • /
    • pp.403-411
    • /
    • 1978
  • Collagen의 model compound인 poly(Gly-Pro-Pro)의 수화에 관해서 empirical ppotential energy 함수를 사용하여 이론적으로 연구하였다. 물 분자와 model compound 간의 상호작용 energy를 최소화시켜서 물 분자들의 위치와 결합 energies를 계산하였다. 다음에는 일차수화층에 물이 붙음으로써 생기는 안정화 energy를 계산하고, 전체 안정화에 기여하는 여러 energy components의 기여도에 대해 논의하였다.

  • PDF

Fluctuation in operational energy efficiency of ships and its implications for performance appraisal

  • Zhang, Shuang;Yuan, Haichao;Sun, Deping
    • International Journal of Naval Architecture and Ocean Engineering
    • /
    • 제13권1호
    • /
    • pp.367-378
    • /
    • 2021
  • This paper develops a dynamic regression model to quantify the contribution of key external factors to operational energy efficiency of ships. On this basis, kernel density estimation is applied to explore distribution patterns of fluctuations in operational performance. An empirical analysis based on these methods show that distribution of fluctuations in Energy Efficiency Operational Indicator (EEOI) is leptokurtic and fat tailed, rather than a normal one. Around 85% of fluctuations in EEOI can be jointly explained by capacity utilization and sailing speed, while the rest depend on other external factors largely beyond control. The variations in capacity utilization and sailing speed cannot be fully passed on to the energy efficiency performance of ships, due to complex interactions between various external factors. The application of the methods is demonstrated, showing a potential approach to develop a rating mechanism for use in the legally binding framework on operational energy efficiency of ships.

In Silico 분자결합 분석방법을 활용한 tubocurarine과 승마 추출성분 actein의 아세틸콜린 결합 단백질 활성 부위에 대한 결합 친화도 비교 분석 (In Silico Molecular Docking Comparison of Tubocurarine and the Active Ingredients of Cimicifugae rhizoma on Acetylcholine Binding Proteins)

  • 김동찬
    • 생명과학회지
    • /
    • 제28권4호
    • /
    • pp.408-414
    • /
    • 2018
  • Actein은 널리 알려진 승마 추출물의 주요 생리 활성 효능 성분이다. 본 연구에서는 acetylcholine 수용체의 활성을 억제하는 것으로 활용된 AchBP 단백질 길항제(antagonist) tubocurarine과 승마 추출물의 효능 성분 actein 및 actein 유도체(27-deoxyactin, (26S)-actein, (26R)-actein)들의 AchBP 단백질 B와 C domain 활성 부위에 대한 친화도 분석 실험을 컴퓨터 분자결합 분석 방법을 통해 비교하였다. AchBP 단백질 B와 C domain의 3차원 구조정보는 PDB database (PDB ID: 2XYT)를 활용하였다. In silico 결합 분석을 수행하기 위해 PyRx, Autodock Vina, Discovery Studio Version 4.5, and NX-QuickPharm 프로그램을 각 분석 조건에 따라 활용하였다. AchBP 단백질 B와 C domain 활성 부위에 대한 actein의 최대 결합친화도는 -10.50 kcal/mol으로 나왔으며 이는 -9.80 kcal/mol으로 분석된 tubocurarine의 결합 친화도 보다 훨씬 더 높고 효율적인 것으로 분석되었다. Tubocurarine에 비하여 결합친화도 값이 높게 분석된actein, 27-deoxyactein, (26R)-actein 유도체 성분들과 상호작용 하는 AchBP 단백질 활성 부위의 아미노산들 가운데 tryptophan 84와 tyrosine 147이 높은 결합친화도를 형성하는데 매우 중요한 역할을 하는 아미노산으로 예상이 되었다. Tubocurarine의 AchBP 단백질 활성 부위에 대한 X,Y,Z Grid 값은 X=38.300689, Y=112.053467, Z=51.991022으로 나왔으나 actein과 actein 유도체들은 대부분 X=26.4, Y=127.3, Z=43.7 값 주변에 centroid grid를 형성하였다. 즉, tubocurarine이 결합하는 부위와는 다른 부위에 결합하여 AchBP의 활성에 영향을 주는 것으로 사료되었다. 이상의 연구 결과들을 분석해 볼 때, 아세틸콜린 수용체 길항제 tubocurarine보다 승마 추출물 생리 활성 물질인 actein과 그 유도체들이 보다 더 효율적인 아세틸콜린 수용체 길항제로 작용할 수 있음을 확인하였다. 결론적으로 승마 추출물 또는 actein 성분은 피부 주름 개선 효능을 지닌 보톡스를 대체하거나 또는 주름 개선용 화장품 신물질 연구 개발 분야에 효율적으로 활용할 수 있을 것으로 사료된다.

혼합접착제 적용에 따른 골판지의 접착강도와 건조에너지 평가 (Evaluation of the Adhesive Strength and the Drying Energy of Corrugated Board Using a Mixed Adhesive)

  • 이지영;김철환;김은혜;박태웅;최재성
    • 펄프종이기술
    • /
    • 제48권3호
    • /
    • pp.51-56
    • /
    • 2016
  • The most widely used glue in a corrugator is starch, which is a natural polymer. This material needs thermal energy to achieve a binding force, so a heating section is installed in a corrugator. However, this heating section can cause quality problems in linerboards and corrugating medium and increase the production cost because of the high cost of fossil resources. Therefore, a new adhesive that provides the binding force at lower temperatures than the conventional one must be developed. In this study, SB-latex was selected as a co-adhesive and added to the starch solution. The addition of the SB-latex was determined based on the viscosity of the new adhesive. The adhesive strength and the drying energy reduction of a corrugated board were measured to evaluate the functionalities of the new adhesive. The addition of SB-latex was determined to be under 20% of the oven-dried starch based on the viscosity of the new adhesive. The adhesive strength was improved and the drying energy was reduced by applying the new adhesive.

중학생의 철분 영양 상태에 영향을 미치는 생태학적 변인 분석 (An Ecological Analysis of Iron Status of Middle School Students in Seoul)

  • 최주현
    • Journal of Nutrition and Health
    • /
    • 제30권8호
    • /
    • pp.960-975
    • /
    • 1997
  • This study was carried out to evaluate the iron nutrition status of 212 middle school students(106 males and 106 females) residing in Seoul(13-14 years old ) using eating patterns and a measurement of anthropometrical determination and hematological indices. Fasting blood samples were taken from all subjects, serum iron (SI) and total iron binding capacity(TIBC) concentrations were measured, and transferrin saturation(TS) levels were calculated. Iron and other nutrient intakes were estimated by a semi-quantitative frequency questionnaire. The level of TS(%) which was calculated with TIBC and SI in females(20.4$\mu\textrm{g}$/dl) was significantly lower(p<0.050 than that of males (27.4$\mu\textrm{g}$/㎗). The prevalence of iron deficiency was found to be 36.7% when defined by TS(%) (<05%). Mean daily intake of total iron in the study subjects was 14mg and heme iron intake was 5.4mg(38.1%) . There was a significant negative correlation between the level of SI and the income level and a positive correlation with the level of TIBC and the income level. TIBC had a positive correlation with the anthropometric variables(Ht, Wt, BMI, RI and PIBW). SI and TS had a negative correlation with body fat percentage. There was a positive correlation between energy intake and TIBC only among females. The logistic regression analysis revealed that income level, body fat percentage , weight and energy intake were major determinants of low SI levels. Among the determinants of abnormal TIBC levels were weight , height, income level and energy intake. Finally , among those of low TS% were iron and energy intake and income level. These observations suggest that physical status, body fat percentage energy and iron intakes and income level are risk factors for iron-deficiency anemia among the middle school students in Seoul.

  • PDF

MAJOR THERMAL-HYDRAULIC PHENOMENA FOUND DURING ATLAS LBLOCA REFLOOD TESTS FOR AN ADVANCED PRESSURIZED WATER REACTOR APR1400

  • Park, Hyun-Sik;Choi, Ki-Yong;Cho, Seok;Kang, Kyoung-Ho;Kim, Yeon-Sik
    • Nuclear Engineering and Technology
    • /
    • 제43권3호
    • /
    • pp.257-270
    • /
    • 2011
  • A set of reflood tests has been performed using ATLAS, which is a thermal-hydraulic integral effect test facility for the pressurized water reactors of APR1400 and OPR1000. Several important phenomena were observed during the ATLAS LBLOCA reflood tests, including core quenching, down-comer boiling, ECC bypass, and steam binding. The present paper discusses those four topics based on the LB-CL-11 test, which is a best-estimate simulation of the LBLOCA reflood phase for APR1400 using ATLAS. Both homogeneous bottom quenching and inhomogeneous top quenching were observed for a uniform radial power profile during the LB-CL-11 test. From the observation of the down-comer boiling phenomena during the LB-CL-11 test, it was found that the measured void fraction in the lower down-comer region was relatively smaller than that estimated from the RELAP5 code, which predicted an unrealistically higher void generation and magnified the downcomer boiling effect for APR1400. The direct ECC bypass was the dominant ECC bypass mechanism throughout the test even though sweep-out occurred during the earlier period. The ECC bypass fractions were between 0.2 and 0.6 during the later test period. The steam binding phenomena was observed, and its effect on the collapsed water levels of the core and down-comer was discussed.

Enhancement of DNA-mediated Energy Transfer from Ethidium to meso-Tetrakis(N-methylpyridinium-4-yl)porphyrin by Ca2+ Ion

  • Kim, Jong-Moon;Park, Bo-Ra-Mi;Kim, Young-Rhan;Gong, Lindan;Jang, Myung-Duk;Kim, Seog-K.
    • Bulletin of the Korean Chemical Society
    • /
    • 제33권4호
    • /
    • pp.1165-1169
    • /
    • 2012
  • The fluorescence intensity of DNA-intercalated ethidium with [ethidium]/[DNA base] being 0.005 was quenched upon the binding of another intercalating ligand, meso-tetrakis(N-methylpyridinium-4-yl)porphyrin (TMPyP). Addition of $Ca^{2+}$ enhanced the quenching efficiency. The range of separations between donor and acceptor molecules, within which total quenching occurs, was calculated using a one-dimensional resonance energy transfer mechanism to be 9.5 base-pairs or $32.3{\AA}$ in the absence of $Ca^{2+}$ ions. The distance increased to 18.7 base-pairs or about $63.6{\AA}$ in the presence $100{\mu}M$ $Ca^{2+}$. Considering that (1) $Ca^{2+}$ had little effect on the binding modes of ethidium and TMPyP, which was investigated by reduced linear dichroism and (2) spectral overlap between the emission spectrum of ethidium and the absorption spectrum of TMPyP was maintained in the presence of $Ca^{2+}$, contributions from orientation factor and spectral overlap to $Ca^{2+}$-induced enhancement in DNA mediated energy transfer was limited. Although there is no direct evidence, electron transfer along the DNA stem may accompany the observed fluorescence quenching. In this respect, DNA bound $Ca^{2+}$ act as a partially conducting medium.