• 제목/요약/키워드: binding energy

Search Result 776, Processing Time 0.027 seconds

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
    • /
    • v.29 no.5
    • /
    • 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.

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

  • Yang Sun Ok;Kim SungSuk;Hwang Chong-Sun
    • Journal of KIISE:Information Networking
    • /
    • v.32 no.5
    • /
    • pp.615-624
    • /
    • 2005
  • In Mobile IP, several types of messages - binding update, binding request and binding acknowledgement - are used to support user mobility. It is necessary to exchange those messages frequently for seamless mobility but it incurs both the increase of network overhead and poor usage of mobile node battery power Thus, we need a mechanism that the server detects users location and also copes with the problems effectively, which is our main concern in this paper Each user records all moving logs locally and periodically makes out profile based on them in HMIPv6. By using profile, estimated resident time can be computed whenever he enters an area and the time is set up as the binding update message lifetime. Of course, the more correct lifetime nay be obtained IP arrival time as well as average resident time Is considered in profile. Through extensive experiments, we measure the bandwidth usage for binding update messages by comparing the proposed schemes with that in HMIPv6. From the results, Gain gets over $80\%$ when mobile node stays more than 13 minutes in a subnet. Namely, we come to know that our schemes improve network usage and energy usage in mobile node by decreasing the number of messages while they also manage users locations like that in HMIPv6.

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
    • Journal of Radiation Industry
    • /
    • v.2 no.3
    • /
    • 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.

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

  • Lee Jong Myung;Jhon Mu Shik
    • Journal of the Korean Chemical Society
    • /
    • v.22 no.6
    • /
    • pp.403-411
    • /
    • 1978
  • A theoretical study of the hydration of the model compound of collagen, poly(Gly-Pro-Pro), has been carried out using empirical potential energy functions. The optimum locations and binding energies of water molecules bound to the model compound have been determined by minimizing the interaction energy. The stabilization energy due to the presence of water in the first hydration shell has been evaluated by comparing the internal interaction energies between the different groups of the model compound in its non-hydrated and hydrated states. The different energy components contributing to the overall stabilization are determined and discussed.

  • 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
    • /
    • v.13 no.1
    • /
    • 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 Molecular Docking Comparison of Tubocurarine and the Active Ingredients of Cimicifugae rhizoma on Acetylcholine Binding Proteins (In Silico 분자결합 분석방법을 활용한 tubocurarine과 승마 추출성분 actein의 아세틸콜린 결합 단백질 활성 부위에 대한 결합 친화도 비교 분석)

  • Kim, Dong-Chan
    • Journal of Life Science
    • /
    • v.28 no.4
    • /
    • pp.408-414
    • /
    • 2018
  • Actein is the well-known active ingredient of Cimicifugae rhizoma (Black cohosh). In this study, we investigated and compared the binding affinity of tubocurarine, actein, and actein derivatives on the B&C domain of the acetylcholine binding protein through in silico computational docking studies. The three-dimensional crystallographic structure of the acetylcholine binding protein B&C domain was obtained from the PDB database (PDB ID: 2XYT). An in silico computational autodocking analysis was performed using PyRx, Autodock Vina, Discovery Studio Version 4.5, and NX-QuickPharm based on scoring functions. The actein showed an optimum binding affinity (docking energy), with the acetylcholine binding protein at -10.50 kcal/mol as compared to the tubocurarine (-9.80 kcal/mol). The interacting amino acids tryptophan 84 and tryptophan 147, in the B domain of the acetylcholine binding protein active site, significantly interacted with the actein and 27-deoxyactein, and (26R)-actein. The centroid XYZ grid position of the tubocurarine was X=38.300689, Y=112.053467, and Z=51.991022, but the actein and its derivatives showed values around X=26.4, Y=127.3, Z=43.7. These results clearly indicated that actein and its derivatives could be a more potent antagonist to the acetylcholine binding protein than tubocurarine. Therefore, the extract of Cimicifugae rhizoma or actein containing biomaterials can substitute for the botulinum toxin-mediated acetylcholine receptor regulation, and be applied to the anti-wrinkle cosmetics industry.

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

  • Lee, Ji Young;Kim, Chul Hwan;Kim, Eun Hea;Park, Tae Ung;Choi, Jae Sung
    • Journal of Korea Technical Association of The Pulp and Paper Industry
    • /
    • v.48 no.3
    • /
    • 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.

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

  • 최주현
    • Journal of Nutrition and Health
    • /
    • v.30 no.8
    • /
    • 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
    • /
    • v.43 no.3
    • /
    • 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
    • /
    • v.33 no.4
    • /
    • 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.