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In Silico Study of Human Gap Junction Beta-2 Protein by Homology Modeling

  • Shehzadi, Abida;Masood, Khalid
    • Genomics & Informatics
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    • 제8권2호
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    • pp.70-75
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    • 2010
  • Asp66his, Asp54Lys, and Asp50Asn are mutations in connexin 26 that are observed in the clinic and give rise to autosomal dominant syndromes. They are the result of point mutations in the human gap junction ${\beta}-2$ gene. In order to investigate the structural mechanism of Bart-Pumphrey Syndrome, Keratitis-Ichthyosis-Deafness Syndrome, and Vohwinkel Syndrome, homology modeling was carried out. Asp66 has direct contact with Asn62 by two hydrogen bonds in the wild-type protein, and in Asp66His, the biggest change observed is a tremendous energy increase caused by hydrogen bond breakage to Asn62. Shifts in the side chain and new hydrogen bond formation are observed for Lys54 compared to the wild-type protein (Asn54) and result in closer contact to Val84. Asp50Asn causes a significant decrease in bond energy, and residual charge reversal repels the ion and metabolites and, hence, inhibits their transportation. Such perturbations are likely to be a factor contributing to abnormal functioning of ion channels, resulting cell death and disease.

바이오 메디컬용 코어-쉘 구조의 Bi0.5(Na0.78K0.22)0.5TiO3계 무연압전세라믹 소재의 개발 (Development of Bi0.5(Na0.78K0.22)0.5TiO3 Lead-free Piezoelectric Ceramic Material with Core-shell Structure for Biomedical)

  • 윤성준;배준수
    • 산업경영시스템학회지
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    • 제46권3호
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    • pp.15-22
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    • 2023
  • BNKT Ceramics, one of the representative Pb free based piezoelectric ceramics, constitutes a perovskite(ABO3) structure. At this time, the perovskite structure (ABO3) is in the form where the corners of the octahedrons are connected, and in the unit cell, two ions, A and B, are cations, A ion is located at the body center, B ion is located at each corner, and an anion O is located at the center of each side. Since Bi, Na, and K sources constituting the A site are highly volatile at a sintering temperature of 1100℃ or higher, it is difficult to maintain uniformity of the composition. In order to solve this problem, there should be suppression of volatilization of the A site material or additional compensation of the volatilized. In this study, the basic composition of BNKT Ceramics was set to Bi0.5(Na0.78K0.22)0.5TiO3 (= BNKT), and volatile site (Bi, Na, and K sources) were coated in the form of a shell to compensate additionally for the A site ions. In addition, the physical and electrical properties of BNKT and its coated with shell additives(= @BNK) were compared and analyzed, respectively. As a result of analyzing the crystal structure through XRD, both BNKT(Core) and @BNK(Shell) had perovskite phases, and the crystallinity was almost similar. Although the Curie temperature of the two sintered bodies was almost the same (TC = 290 ~ 300 ℃), it was confirmed that the d33 (piezoelectric coefficient) and Pr (residual polarization) values were different. The experimental results indicated that the additional compensation for a shell additive causes the coarsening, resulting in a decrease in sintering density and Pr(remanent polarization). However, coating shell additives to compensate for A site ion is an effective way to suppress volatilization. Based on these experimental results, it would be the biggest advantage to develop an eco-friendly material (Lead-free) that replaced lead (Pb), which is harmful to the human body. This lead-free piezoelectric material can be applied to a biomedical device or products(ex. earphones (hearing aids), heart rate monitors, ultrasonic vibrators, etc.) and skin beauty improvement products (mask packs for whitening and wrinkle improvement).