• 제목/요약/키워드: Molecular dynamic

검색결과 490건 처리시간 0.025초

Evaluation Method of Hairstyling Materials and its Application to Cosmetic Preparations

  • Abe, Hidetoshi;Iida, Ichiro;Someya, Takao
    • 대한화장품학회:학술대회논문집
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    • 대한화장품학회 2003년도 IFSCC Conference Proceeding Book I
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    • pp.1-12
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    • 2003
  • Instead of sensory evaluation, we designed an evaluation method of the setting function of hairstyling products, based on an original theory focusing on changes in bending stress observed when a load with continuous bending is applied to human hair. Specifically, we developed a device to measure bending stress to quickly and objectively evaluate the condition of human hair, particularly its dynamic properties such as the setting function, following the application of hairstyling products. This device generates a load with continuous bending while applying a pendulum motion to a hair tress, one end of which is anchored. The setting function and holding power of resins of various molecular weight and ionic properties were evaluated using this device. The results demonstrated a close correlation with those obtained by experts' sensory evaluation. The evaluation results of bending stress and holding rate confirmed that the combined use of two different resins could improve the function of setting preparations. Evaluation using this device was able to substitute for sensory evaluation, and offers quick objective evaluation and detection of changes in the holding power of hairstyling products over time. We conclude that evaluation using this device is a promising new method.

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NEUTRON SCATTERING INVESTIGATIONS OF PROTON DYNAMICS OF WATER AND HYDROXYL SPECIES IN CONFINED GEOMETRIES

  • Chen, S.H.;Loong, C.K.
    • Nuclear Engineering and Technology
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    • 제38권3호
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    • pp.201-210
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    • 2006
  • This article presents a brief overview of an important area of neutron scattering: the general principles and techniques of elastic, quasielastic and inelastic scattering from a system composed predominately of incoherent scatterers. The methodology is then applied to the study of water, specifically when it is confined in nanometer-scale environments. The confined water exhibits uniquely anomalous properties in the supercooled state. It also nourishes biological functions, and supports essential chemical reactions in living systems. We focus on recent investigations of water encapsulated in nanoporous silica and carbon nanotubes, hydrated water in proteins and water or hydroxyl species incorporated in nanostructured minerals. Through these scientific examples, we demonstrate the advantages derived from the high sensitivity of incoherent neutron spectroscopy to hydrogen atom motions and hydrogen-bond dynamics, aided by rigorous data interpretation method using molecular dynamics simulations or theoretical modelling. This enables us to probe the inter-/intramolecular vibrations and relaxation/diffusion processes of water molecules in a complex environment.

The Influence of Bakers' Yeast Cells on Protein Adsorption Performance in Dye-Ligand Expanded Bed Chromatography

  • Chow, Yen Mei;Tey, Beng Ti;Ibrahim, Mohd Nordin;Ariff, Arbakariya;Ling, Tau Chuan
    • Biotechnology and Bioprocess Engineering:BBE
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    • 제10권6호
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    • pp.552-555
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    • 2005
  • The influence of whole yeast cells $(0{\sim}15%\;w/v)$ on the protein adsorption performance in dye-ligand chromatography was explored. The adsorption of a model protein, bovine serum albumin (BSA), was selected to demonstrate this approach. The UpFront adsorbent $(p=1.5\;g/cm^3)$ derivatised with Cibacron Blue 3GA and a commercially available expanded bed column (20 mm i.d.) from UpFront Chromatography, Denmark, were employed in the batch binding and expanded bed operation. The BSA binding capacity was demonstrated to not be adversely affected by the presence of yeast cells. The dynamic binding capacity of BSA at a $C/C_0=0.1$ biomass concentration of 5, 10, 15% w/v were 9, 8, and 7.5mg/mL of settled adsorbent, respectively.

Protein Adsorption and Hydrodynamic Stability of a Dense, Pellicular Adsorbent in High-Biomass Expanded Bed Chromatography

  • Chow, Yen Mei;Tey, Beng Ti;Ibrahim, Mohd Nordin;Ariff, Arbakariya;Ling, Tae Chuan
    • Biotechnology and Bioprocess Engineering:BBE
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    • 제11권3호
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    • pp.268-272
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    • 2006
  • A dense, pellicular UpFront adsorbent ($p=1.5 g/cm^3$, UpFront Chromatography, Cophenhagen, Denmark) was characterized in terms of hydrodynamic properties and protein adsorption performance in expanded bed chromatography. Cibacron Blue 3GA was immobilised into the adsorbent and protein adsorption of bovine serum albumin (BSA) was selected to test the setup. The Bodenstein number and axial dispersion coefficient estimated for this dense pellicular adsorbent was 54 and $1.63{\times}10^{-5}m^2/s$, respectively, indicating a stable expanded bed. It could be shown that the BSA protein was captured by the adsorbent in the presence of 30% (w/v) of whole-yeast cells with an estimated dynamic binding capacity $(C/C_o = 0.01)$ of approximately 6.5 mg/mL adsorbent.

탄소나노튜브 표면의 STM 이미지를 통한 전기적 특성 연구 (A Theoretical Study on STM image of Carbon Nanotube)

  • 문원하;황호정
    • 한국전기전자재료학회:학술대회논문집
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    • 한국전기전자재료학회 2002년도 하계학술대회 논문집
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    • pp.314-317
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    • 2002
  • Since the early work of Tersoff and Hamann on the theory of the scanning tunneling microscope (STM), many theoretical approaches have been developed in order to gain further physical insight into the real space image that this technique provides. In this Paper, the STM image of Carbon nanotubes (CNT's) was calculated through the theoretical study. The optimized structure of CNT's was simulated using Brenner's hydrocarbon potential. The structure of simulation is (5. 5) armchair CNT and (10. 0) zigzag CNT. Also we have used that the extended Huckel tight binding (EHTB) theory already provides a fairly good qualitative description of the main processes that control the final contrast in the STM image. we found that the shape of the calculated images is hardly dependent on the exact electronic charge distribution at the surface. The STM images are not too sensitive to the precise electronic structure but, rather, they reflect its qualitative features. As a result of the simulation, The STM images of CNT's and the electronic density distribution were investigated. It found that the EHTB theory is appropriate for STM image calculation and that the STM images are in agreement with the result of Experiment.

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SPM을 이용한 박막의 모폴로지, 표면전위와 광투과이미지 관찰 (Observation of Morphology, Surface potential and Optical Transmission Images in the Thin Film Using SPM)

  • 신훈규;권영수
    • 한국전기전자재료학회:학술대회논문집
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    • 한국전기전자재료학회 2000년도 영호남학술대회 논문집
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    • pp.327-330
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    • 2000
  • The scanning Maxwell-stress microscopy (SMM) is a dynamic noncontact electric force microscopy that allows simultaneous access to the electrical properties of molecular system such as surface potential, surface charge, dielectric constant and conductivity along with the topography. The Scanning near-field optical / atomic force microscopy (SNOAM) is a new tool for surface imaging which was introduced as one application of the atomic force microscope (AFM). Operated with non-contact forces between the optical fiber and sample as well as equipped with the piezoscanners, the instrument reports on surface topology without damaging or modifying the surface for measuring of optical characteristic in the films. We report our recent results of its application to nanoscopic study of domain structures and electrical functionality in organic thin films by SMM. Furthermore, we have illustrated the SNOAM image in obtaining the merocyanine dye films as well as the optical image.

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Antimicrobial Peptides (AMPs): Peptide Structure and Mode of Action

  • Park, Yoon-Kyung;Hahm, Kyung-Soo
    • BMB Reports
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    • 제38권5호
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    • pp.507-516
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    • 2005
  • Antimicrobial peptides (AMPs) have been isolated and characterized from tissues and organisms representing virtually every kingdom and phylum. Their amino acid composition, amphipathicity, cationic charge, and size allow them to attach to and insert into membrane bilayers to form pores by 'barrel-stave', 'carpet' or 'toroidal-pore' mechanisms. Although these models are helpful for defining mechanisms of AMP activity, their relevance to resolving how peptides damage and kill microorganisms still needs to be clarified. Moreover, many AMPs employ sophisticated and dynamic mechanisms of action to carry out their likely roles in antimicrobial host defense. Recently, it has been speculated that transmembrane pore formation is not the only mechanism of microbial killing by AMPs. In fact, several observations suggest that translocated AMPs can alter cytoplasmic membrane septum formation, reduce cell-wall, nucleic acid, and protein synthesis, and inhibit enzymatic activity. In this review, we present the structures of several AMPs as well as models of how AMPs induce pore formation. AMPs have received special attention as a possible alternative way to combat antibiotic-resistant bacterial strains. It may be possible to design synthetic AMPs with enhanced activity for microbial cells, especially those with antibiotic resistance, as well as synergistic effects with conventional antibiotic agents that lack cytotoxic or hemolytic activity.

HP0902 from Helicobacter pylori is a thermostable, dimeric protein belonging to an all-β topology of the cupin superfamily

  • Sim, Dae-Won;Lee, Yoo-Sup;Kim, Ji-Hun;Seo, Min-Duk;Lee, Bong-Jin;Won, Hyung-Sik
    • BMB Reports
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    • 제42권6호
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    • pp.387-392
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    • 2009
  • Here, we report the first biochemical and structural characterization of the hypothetical protein HP0902 from Helicobacter pylori, in terms of structural genomics. Gel-permeation chromatography and dynamic light scattering indicated that the protein behaves as a dimer in solution. Circular dichroism spectroscopy showed that HP0902 primarily adopts a $\beta$-structure and the protein was highly thermostable with a denaturing temperature higher than $70^{\circ}C$. Finally, the backbone NMR assignments were obtained on the [$^{13}C,^{15}N$]HP0902 and the secondary structure was determined using the chemical shift data. Additionally, the local flexibility was assessed via a heteronuclear $^1H-^{15}N$ steady state NOE experiment. The results revealed that HP0902 would adopt a compactly folded, all-$\beta$ topology with 11 $\beta$-strands. All of the results clearly support the notion that HP0902 belongs to the cupin superfamily of proteins.

3D 프린팅으로 제작된 무릎 관절모델의 압축력 측정 (Measurement of the Compressive Force on the Knee Joint Model fabricated by 3D Printing)

  • 정훈진;지민희;김소연;이승재
    • 한국기계가공학회지
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    • 제13권2호
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    • pp.1-7
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    • 2014
  • Recent experimental observations support the hypothesis that mechanical stimuli play a role in regulating the specialized molecular expression of articular cartilage in vitro and in vivo. Other studies have demonstrated that the continuous passive motion(CPM)bioreactor for whole joints can provide a platform for possible future in vitro studies and applications, including possible interactions of bio-mechanical and biochemical signals. In this study, we have developed acustom-made bioreactor capable of bending and stretching with circular type motion, and a biomimetic knee joint model, using a 3D printer. This system could be used to investigate the effects of rehabilitative joint motion of dynamic culture.

Corrosion Inhibition of Copper-nickel Alloy: Experimental and Theoretical Studies

  • Khadom, Anees A.;Yaro, Aprael S.;Musa, Ahmed Y.;Mohamad, Abu Bakar;Kadhum, Abdul Amir H.
    • 대한화학회지
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    • 제56권4호
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    • pp.406-415
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    • 2012
  • The corrosion inhibition of copper-nickel alloy by Ethylenediamine (EDA) and Diethylenetriamine (DETA) in 1.5M HCl has been investigated by weight loss technique at different temperatures. Maximum value of inhibitor efficiency was 75% at $35^{\circ}C$ and 0.2 M inhibitor concentration EDA, while the lower value was 4% at $35^{\circ}C$ and 0.01 M inhibitor concentration DETA. Two mathematical models were used to represent the corrosion rate data, second order polynomial model and exponential model respectively. Nonlinear regression analysis showed that the first model was better than the second model with high correlation coefficient. The reactivity of studied inhibitors was analyzed through theoretical calculations based on density functional theory (DFT). The results showed that the reactive sites were located on the nitrogen (N1, N2 and N4) atoms.