• 제목/요약/키워드: electrostatic analysis

검색결과 390건 처리시간 0.022초

전자 종이용 하전 입자의 부착력 분석 (Adhesion Force Analysis of Charged Particles for the E-paper)

  • 김승택;김형태;이상호;김종석
    • 반도체디스플레이기술학회지
    • /
    • 제9권4호
    • /
    • pp.87-91
    • /
    • 2010
  • Charged micro-particles are widely used as the key components for many electrical applications such as an e-paper, a touch panel, a printer toner and an electronic ink. Among them, the e-paper is an emerging reflective type display using the charged particles that has the advantages of the extremely low power consumption and sunlight readability. To create images on the e-paper, we confine black positively-charged and white negatively-charged particles between bottom and top electrodes and selectively apply the electric field. When the Coulomb force by an applied electric field is greater than the adhesion force between the charged particle and the electrode, the particles' transition happens resulting in the change of color between black and white. Therefore, the adhesion force is a very important factor for designing and estimating e-paper's operation. In this study, we constructed a basic model for particle's transition and an adhesion force equation describing particle's transition with three different forces: electrostatic image force, Van der Waals force and gravitational force. The simulation results showed that the gravitational force is negligible for the interesting range for the charge and the radius, and the adhesion force can be strongly dependent on the particle's charge and radius.

Design of a RANK-Mimetic Peptide Inhibitor of Osteoclastogenesis with Enhanced RANKL-Binding Affinity

  • Hur, Jeonghwan;Ghosh, Ambarnil;Kim, Kabsun;Ta, Hai Minh;Kim, Hyunju;Kim, Nacksung;Hwang, Hye-Yeon;Kim, Kyeong Kyu
    • Molecules and Cells
    • /
    • 제39권4호
    • /
    • pp.316-321
    • /
    • 2016
  • The receptor activator of nuclear factor ${\kappa}B$ (RANK) and its ligand RANKL are key regulators of osteoclastogenesis and well-recognized targets in developing treatments for bone disorders associated with excessive bone resorption, such as osteoporosis. Our previous work on the structure of the RANK-RANKL complex revealed that Loop3 of RANK, specifically the non-canonical disulfide bond at the tip, performs a crucial role in specific recognition of RANKL. It also demonstrated that peptide mimics of Loop3 were capable of interfering with the function of RANKL in osteoclastogenesis. Here, we reported the structure-based design of a smaller peptide with enhanced inhibitory efficiency. The kinetic analysis and osteoclast differentiation assay showed that in addition to the sharp turn induced by the disulfide bond, two consecutive arginine residues were also important for binding to RANKL and inhibiting osteoclastogenesis. Docking and molecular dynamics simulations proposed the binding mode of the peptide to the RANKL trimer, showing that the arginine residues provide electrostatic interactions with RANKL and contribute to stabilizing the complex. These findings provided useful information for the rational design of therapeutics for bone diseases associated with RANK/RANKL function.

저항성 및 감수성 잿빛곰팡이병균(Botrytis cinerea)에 대한 N-Phenyl-O-phenylthionocarbamate 유도체들의 선택적인 살균활성에 관한 CoMFA 및 CoMSIA 분석 (CoMFA and CoMSIA Analysis on the Selective Fungicidal Activity of N-phenyl-D-phenylthionocarbamate Analogues against Resistant and Sensitive Gray Mold (Botrytis cinerea))

  • 성민규;성낙도
    • 농약과학회지
    • /
    • 제11권3호
    • /
    • pp.138-143
    • /
    • 2007
  • 감수성(SBC) 및 저항성(RBC) 잿빛곰팡이병균(Botrytis cinerea)에 대한 N-phenyl-O-phenylthionocarbamate 유도체들의 선택적인 살균활성에 대한 3차원적인 구조와 활성과의 관계(3D-QSAR)를 CoMFA와 CoMSIA 방법으로 검토하였다 그 결과, 통계적으로 CoMFA 모델(M5)보다 CoMSIA 모델(M7)이 양호하였으며 살균활성의 선택성에 미치는 요소는 CoMSIA 모델(M7)의 정전기장에 의존적이었다. 그러므로 CoMSIA 모델(M7)의 등고도로부터 N-phenyl 고리의 meta-위치에 음하전을 띄는 수소결합 주게에 의하여 선택성이 개선될 것으로 예상되었다.

High Performance ESD/Surge Protection Capability of Bidirectional Flip Chip Transient Voltage Suppression Diodes

  • Pharkphoumy, Sakhone;Khurelbaatar, Zagarzusem;Janardhanam, Valliedu;Choi, Chel-Jong;Shim, Kyu-Hwan;Daoheung, Daoheung;Bouangeun, Bouangeun;Choi, Sang-Sik;Cho, Deok-Ho
    • Transactions on Electrical and Electronic Materials
    • /
    • 제17권4호
    • /
    • pp.196-200
    • /
    • 2016
  • We have developed new electrostatic discharge (ESD) protection devices with, bidirectional flip chip transient voltage suppression. The devices differ in their epitaxial (epi) layers, which were grown by reduced pressure chemical vapor deposition (RPCVD). Their ESD properties were characterized using current-voltage (I-V), capacitance-voltage (C-V) measurement, and ESD analysis, including IEC61000-4-2, surge, and transmission line pulse (TLP) methods. Two BD-FCTVS diodes consisting of either a thick (12 μm) or thin (6 μm), n-Si epi layer showed the same reverse voltage of 8 V, very small reverse current level, and symmetric I-V and C-V curves. The damage found near the corner of the metal pads indicates that the size and shape of the radius governs their failure modes. The BD-FCTVS device made with a thin n- epi layer showed better performance than that made with a thick one in terms of enhancement of the features of ESD robustness, reliability, and protection capability. Therefore, this works confirms that the optimization of device parameters in conjunction with the doping concentration and thickness of epi layers be used to achieve high performance ESD properties.

Quantitative Comparison of the Photocatalytic Efficiency of TiO2 Nanotube Film and TiO2 Powder

  • Jang, Jun-Won;Park, Sung Jik;Park, Jae-Woo
    • 한국지하수토양환경학회지:지하수토양환경
    • /
    • 제21권2호
    • /
    • pp.8-14
    • /
    • 2016
  • We compared the plausible reaction mechanism and quantitative efficiency of highly self-organized TiO2 nanotube (ntTiO2) film with TiO2 powder. Film was fabricated by electrochemical potentiostatic anodization of titanium thin film in an ethylene-glycol electrolyte solution containing 0.3 wt% NH4F and 2 vol% deionized water. Nanotubes with a pore size of 80-100 nm were formed by anodization at 60 V for 3 h. Humic acid (HA) was degraded through photocatalytic degradation using the ntTiO2 film. Pseudo first-order rate constants for 0.3 g of ntTiO2, 0.3 g TiO2 powder, and 1 g TiO2 powder were 0.081 min−1, 0.003 min−1, and 0.044 min−1, respectively. HA adsorption on the ntTiO2 film was minimal while adsorption on the TiO2 powder was about 20% based on thermogravimetric analysis. Approximately five-fold more normalized OH radicals were generated by the ntTiO2 film than the TiO2 powder. These quantitative findings explain why ntTiO2 film showed superior photocatalytic performance to TiO2 powder.

Evaluation of the cell viability and antimicrobial effects of orthodontic bands coated with silver or zinc oxide nanoparticles: An in vitro study

  • Rashin Bahrami;Maryam Pourhajibagher;lireza Badiei;Reza Masaeli;Behrad Tanbakuchi
    • 대한치과교정학회지
    • /
    • 제53권1호
    • /
    • pp.16-25
    • /
    • 2023
  • Objective: We aimed to evaluate the cell viability and antimicrobial effects of orthodontic bands coated with silver or zinc oxide nanoparticles (nano-Ag and nano-ZnO, respectively). Methods: In this experimental study, 30 orthodontic bands were divided into three groups (n = 10 each): control (uncoated band), Ag (silver-coated band), and ZnO (zinc oxide-coated band). The electrostatic spray-assisted vapor deposition method was used to coat orthodontic bands with nano-Ag or nano-ZnO. The biofilm inhibition test was used to assess the antimicrobial effectiveness of nano-Ag and nano-ZnO against Streptococcus mutans, Lactobacillus acidophilus, and Candida albicans. Biocompatibility tests were conducted using the 3-(4, 5-dimethylthiazol-2-yl)-2, 5-diphenyltetrazolium bromide assay. The groups were compared using oneway analysis of variance with a post-hoc test. Results: The Ag group showed a significantly higher reduction in the number of L. acidophilus, C. albicans, and S. mutans colonies than the ZnO group (p = 0.015, 0.003, and 0.005, respectively). Compared with the control group, the Ag group showed a 2-log10 reduction in all the microorganisms' replication ability, but only S. mutants showed a 2-log10 reduction in replication ability in the ZnO group. The lowest mean cell viability was observed in the Ag group, but the difference between the groups was insignificant (p > 0.05). Conclusions: Coating orthodontic bands with nano-ZnO or nano-Ag induced antimicrobial effects against oral pathogens. Among the nanoparticles, nano-Ag showed the best antimicrobial activity and nano-ZnO showed the highest biocompatibility.

입상 활성탄 표면 개질을 통한 과불화옥탄산 (PFOA) 제거 향상 및 특성 평가 (The preparation of surface-modified granular activated carbon (GAC) to enhance Perfluorooctanoic acid (PFOA) removal and evaluation of adsorption behavior)

  • 신정우;안병렬
    • 상하수도학회지
    • /
    • 제37권4호
    • /
    • pp.177-186
    • /
    • 2023
  • Perfluorooctanoic acid(PFOA) was one of widely used per- and poly substances(PFAS) in the industrial field and its concentration in the surface and groundwater was found with relatively high concentration compared to other PFAS. Since various processes have been introduced to remove the PFOA, adsorption using GAC is well known as a useful and effective process in water and wastewater treatment. Surface modification for GAC was carried out using Cu and Fe to enhance the adsorption capacity and four different adsorbents, such as GAC-Cu, GAC-Fe, GAC-Cu(OH)2, GAC-Fe(OH)3 were prepared and compared with GAC. According to SEM-EDS, the increase of Cu or Fe was confirmed after surface modification and higher weight was observed for Cu and Fe hydroxide(GAC-Cu(OH)2 and GAC-Fe(OH)3, respectively). BET analysis showed that the surface modification reduced specific surface area and total pore volumes. The highest removal efficiency(71.4%) was obtained in GAC-Cu which is improved by 17.9% whereas the use of Fe showed lower removal efficiency compared to GAC. PFOA removal was decreased with increase of solution pH indicating electrostatic interaction governs at low pH and its effect was decreased when the point of zero charges(pzc) was negatively increased with an increase of pH. The enhanced removal of PFOA was clearly observed in solution pH 7, confirming the Cu in the surface of GAC plays a role on the PFOA adsorption. The maximum uptake was calculated as 257 and 345 ㎍/g for GAC and GAC-Cu using Langmuir isotherm. 40% and 80% of removal were accomplished within 1 h and 48 h. According to R2, only the linear pseudo-second-order(pso) kinetic model showed 0.98 whereas the others obtained less than 0.870.

Antibiofilm activity of polyethylene glycol-quercetin nanoparticles-loaded gelatin-N,O-carboxymethyl chitosan composite nanogels against Staphylococcus epidermidis

  • Wanhe Luo;Yongtao Jiang;Jinhuan Liu;Beibei Sun;Xiuge Gao;Samah Attia Algharib;Dawei Guo;Jie Wei;Yurong Wei
    • Journal of Veterinary Science
    • /
    • 제25권2호
    • /
    • pp.30.1-30.16
    • /
    • 2024
  • Background: Biofilms, such as those from Staphylococcus epidermidis, are generally insensitive to traditional antimicrobial agents, making it difficult to inhibit their formation. Although quercetin has excellent antibiofilm effects, its clinical applications are limited by the lack of sustained and targeted release at the site of S. epidermidis infection. Objectives: Polyethylene glycol-quercetin nanoparticles (PQ-NPs)-loaded gelatin-N,O-carboxymethyl chitosan (N,O-CMCS) composite nanogels were prepared and assessed for the on-demand release potential for reducing S. epidermidis biofilm formation. Methods: The formation mechanism, physicochemical characterization, and antibiofilm activity of PQ-nanogels against S. epidermidis were studied. Results: Physicochemical characterization confirmed that PQ-nanogels had been prepared by the electrostatic interactions between gelatin and N,O-CMCS with sodium tripolyphosphate. The PQ-nanogels exhibited obvious pH and gelatinase-responsive to achieve on-demand release in the micro-environment (pH 5.5 and gelatinase) of S. epidermidis. In addition, PQ-nanogels had excellent antibiofilm activity, and the potential antibiofilm mechanism may enhance its antibiofilm activity by reducing its relative biofilm formation, surface hydrophobicity, exopolysaccharides production, and eDNA production. Conclusions: This study will guide the development of the dual responsiveness (pH and gelatinase) of nanogels to achieve on-demand release for reducing S. epidermidis biofilm formation.

입상 활성탄 및 표면 개질 활성탄의 장·단사슬 PFCA와 PFSA 흡착 특성 (The characteristics of long- and short- chain PFCA and PFSA adsorption on granular activated carbon and surface-modified granular activated carbon)

  • 신정우;최상기;손희종;안병렬
    • 상하수도학회지
    • /
    • 제38권4호
    • /
    • pp.199-208
    • /
    • 2024
  • In this paper, the adsorption removal characteristic for 10 species of perfluoroalkyl and polyfluoroalkyl substances (PFAS) was investigated using GAC and modified GAC (GAC-Cu). After modification with Cu(II), the amount of copper was to 1.93 and 4.73 mg/g for GAC and GAC-Cu, respectively. The total amount of 10 species of PFAS per specific area was obtained to 0.548 and 0.612 ng/m2 for GAC and GAC-Cu, respectively. A series of batch test confirmed lower efficiency was observed with a smaller number of carbon chain length and the removal efficiency of PFCA (perfluoroalkyl carboxylic acids) was lower than that of PFSA (perfluoroalkyl sulfonic acids) with the same carbon chain length. Regarding the pH effect, the adsorption capacity was decreased with increase of pH due to the increase of electrostatic repulsion. According to pseudo first and second order (PFO and PSO) kinetic models, while the values of equilibrium uptake and time did not show significant difference, a difference in uptake was observed between 24-48h. Furthermore, based on correlation analysis, Log Kow and uptake have a high correlation with molecular weight (M.W.) and initial concentration, respectively. These results show that long-chain PFAS have higher removal efficiency due to their increased hydrophobicity.

2-Phenyl-1,4-benzopyrone 유도체 (Flavones)의 Tyrosinase 저해활성에 관한 3D-QSARs 분석과 분자도킹 (3D-QSARs analyses for Tyrosinase Inhibitory Activity of 2-Phenyl-1,4-benzopyrone (Flavones) Analogues and Molecular Docking)

  • 박준호;성낙도
    • Journal of Applied Biological Chemistry
    • /
    • 제53권4호
    • /
    • pp.225-231
    • /
    • 2010
  • 기질분자로서 polyhydroxy 치환된 2-phenyl-l,4-benzopyrone 유도체(Flavones)(1-25)들의 hydroxyl 치환기($R_1-R_9$)가 변화함에 따른 Tyrosinase(PDB ID: oxy-form; 1WX2)에 대한 저해활성을 이해하기 위하여 분자도킹과 3차원적인 정량적 구조활성관계 (3D-QSARs: CoMFA 및 CoMSIA)가 연구되었다. 그 결과, 통계적으로 CoMFA 1 및 CoMSIA 1 모델이 가장 양호한 3D-QSARs 모델이었다. 또한, 순차 혼합화 분석결과로부터 CoMSIA 1 모델($dq^2'/dr_{yy'}^2$=1.009 및 $q^2$=0.511)이 우연상관성에 저촉되지 않는 최적화 모텔이었으며 최적화된 CoMSIA 1 모델의 tyrosinase에 대한 저해활성은 기질분자의 정전기장(51.4%)에 의존적이었다. Tyrosinase의 반응점에 대한 3D-QSAR 모델의 등고도는 수용체로서 tyrosinase과 저해제로서 2-phenyl-l,4-benzopyrone 기질분자 사이의 새로운 상호작용 관계를 이해하는 계기가 되었다. 그러므로 이 결과들은 새로운 잠재적인 tyrosinase 저해제의 최적화에 적용될 수 있을 것이다.