• 제목/요약/키워드: Structural Dynamics Modification

검색결과 51건 처리시간 0.019초

Impact of glycosylation on the unimpaired functions of the sperm

  • Cheon, Yong-Pil;Kim, Chung-Hoon
    • Clinical and Experimental Reproductive Medicine
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    • 제42권3호
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    • pp.77-85
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    • 2015
  • One of the key factors of early development is the specification of competence between the oocyte and the sperm, which occurs during gametogenesis. However, the starting point, growth, and maturation for acquiring competence during spermatogenesis and oogenesis in mammals are very different. Spermatogenesis includes spermiogenesis, but such a metamorphosis is not observed during oogenesis. Glycosylation, a ubiquitous modification, is a preliminary requisite for distribution of the structural and functional components of spermatids for metamorphosis. In addition, glycosylation using epididymal or female genital secretory glycans is an important process for the sperm maturation, the acquisition of the potential for fertilization, and the acceleration of early embryo development. However, nonemzymatic unexpected covalent bonding of a carbohydrate and malglycosylation can result in falling fertility rates as shown in the diabetic male. So far, glycosylation during spermatogenesis and the dynamics of the plasma membrane in the process of capacitation and fertilization have been evaluated, and a powerful role of glycosylation in spermatogenesis and early development is also suggested by structural bioinformatics, functional genomics, and functional proteomics. Further understanding of glycosylation is needed to provide a better understanding of fertilization and embryo development and for the development of new diagnostic and therapeutic tools for infertility.

Computational Analysis of the 3-D structure of Human GPR87 Protein: Implications for Structure-Based Drug Design

  • Rani, Mukta;Nischal, Anuradha;Sahoo, Ganesh Chandra;Khattri, Sanjay
    • Asian Pacific Journal of Cancer Prevention
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    • 제14권12호
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    • pp.7473-7482
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    • 2013
  • The G-protein coupled receptor 87 (GPR87) is a recently discovered orphan GPCR which means that the search of their endogenous ligands has been a novel challenge. GPR87 has been shown to be overexpressed in squamous cell carcinomas (SCCs) or adenocarcinomas in lungs and bladder. The 3D structure of GPR87 was here modeled using two templates (2VT4 and 2ZIY) by a threading method. Functional assignment of GPR87 by SVM revealed that along with transporter activity, various novel functions were predicted. The 3D structure was further validated by comparison with structural features of the templates through Verify-3D, ProSA and ERRAT for determining correct stereochemical parameters. The resulting model was evaluated by Ramachandran plot and good 3D structure compatibility was evidenced by DOPE score. Molecular dynamics simulation and solvation of protein were studied through explicit spherical boundaries with a harmonic restraint membrane water system. A DRY-motif (Asp-Arg-Tyr sequence) was found at the end of transmembrane helix3, where GPCR binds and thus activation of signals is transduced. In a search for better inhibitors of GPR87, in silico modification of some substrate ligands was carried out to form polar interactions with Arg115 and Lys296. Thus, this study provides early insights into the structure of a major drug target for SCCs.

Engineering of the Phytase YiAPPA to Improve Thermostability and Activity and Its Application Potential in Dephytinization of Food Ingredients

  • Jing Zeng;Jianjun Guo;Lin Yuan
    • Journal of Microbiology and Biotechnology
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    • 제34권8호
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    • pp.1660-1670
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    • 2024
  • The aim of this study was to modify phytase YiAPPA via protein surficial residue mutation to obtain phytase mutants with improved thermostability and activity, enhancing its application potential in the food industry. First, homology modeling of YiAPPA was performed. By adopting the strategy of protein surficial residue mutation, the lysine (Lys) and glycine (Gly) residues on the protein surface were selected for site-directed mutagenesis to construct single-site mutants. Thermostability screening was performed to obtain mutants (K189R and K216R) with significantly elevated thermostability. The combined mutant K189R/K216R was constructed via beneficial mutation site stacking and characterized. Compared with those of YiAPPA, the half-life of K189R/K216R at 80℃ was extended from 14.81 min to 23.35 min, half-inactivation temperature (T5030) was increased from 55.12℃ to 62.44℃, and Tm value was increased from 48.36℃ to 53.18℃. Meanwhile, the specific activity of K189R/K216R at 37℃ and pH 4.5 increased from 3960.81 to 4469.13 U/mg. Molecular structure modeling analysis and molecular dynamics simulation showed that new hydrogen bonds were introduced into K189R/K216R, improving the stability of certain structural units of the phytase and its thermostability. The enhanced activity was primarily attributed to reduced enzyme-substrate binding energy and shorter nucleophilic attack distance between the catalytic residue His28 and the phytate substrate. Additionally, the K189R/K216R mutant increased the hydrolysis efficiency of phytate in food ingredients by 1.73-2.36 times. This study established an effective method for the molecular modification of phytase thermostability and activity, providing the food industry with an efficient phytase for hydrolyzing phytate in food ingredients.

콘크리트슬래브의 진동제어에 관한 실험적 연구 (An Experimental Study on Vibration Control of Concrete Slab)

  • 변근주;노병철
    • 대한토목학회논문집
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    • 제14권3호
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    • pp.473-485
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    • 1994
  • 정말진동환경을 요구하는 혐진기기 하부의 콘크리트슬래브를 대상으로 하여 시간영역에서만이 아니라 진동수영역에서의 진동수준을 허용진동범위 이하로 제어하므로써 요구되는 진동환경을 조성하는데 본 연구의 목적이 있다. 이를 위하여 콘크리트슬래브에 대한 진동실험을 실시하여 진동수영역에서의 동적응답 및 가진점과 응답점간의 진동수응답함수를 구한다. 또한 실험적모드해석법에 의하여 콘크리트슬래브의 동특성을 분석한다. 이를 근거로 외부로부터의 가진진동수와 콘크리트슬래브의 고유진동수간의 공진현상을 피하기 위하여 계의 동특성을 변경하므로써 구조물의 동적응답을 제어할 수 있다.

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자기유변유체를 이용한 반능동형 스퀴즈 필름 댐퍼의 해석 및 회전체 불균형 응답 제어 (Analysis of Magneto-rheological Fluid Based Semi-active Squeeze Film Damper and its Application to Unbalance Response Control of Rotor)

  • 김근주;이종원
    • 한국소음진동공학회논문집
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    • 제15권3호
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    • pp.354-363
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    • 2005
  • Squeeze film dampers (SFDs) have been commonly used to effectively enhance the dynamic behavior of the rotating shaft supported by rolling element bearings. However, due to the recent trends of high operating speed, high load capacity and light weight in rotating machinery, it is becoming increasingly important to change the dynamic characteristics of rotating machines in operation so that the excessive vibrations, which may occurparticularly when passing through critical speeds or unstable regions, can be avoided. Semi-active type SFDs using magneto-rheological fluid (MR fluid), which responds to an applied magnetic field with a change in rheological behavior, are introduced in order to find its applications to rotating machinery as an effective device attenuating unbalance responses. In this paper, a semi-active SFD using MR fluid is designed, tested, and identified to investigate the capability of changing its dynamic properties such as damping and stiffness.In order to apply the MR-SFD to the vibration attenuation of a rotor, a systematic approach for determining the damper's optimal location is investigated, and also, a control algorithm that could improve the unbalance response characteristics of a flexible rotor is proposed and its control performance is validated with a numerical example.

자기유변유체를 이용한 반능동형 스퀴즈 필름 댐퍼의 해석 및 회전체 불균형 응답 제어 (Analysis of Magneto-rheological Fluid based Semi-active Squeeze Film Damper and Its Application to Unbalance Response Control of Rotor)

  • 김근주;이종원
    • 한국소음진동공학회:학술대회논문집
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    • 한국소음진동공학회 2004년도 추계학술대회논문집
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    • pp.1005-1011
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    • 2004
  • Squeeze film dampers (SFDs) have been commonly used to effectively enhance the dynamic behavior of the rotating shaft supported by rolling element bearings. However, due to the recent trends of high operating speed, high load capacity and light weight in rotating machinery, it is becoming increasingly important to change the dynamic characteristics of rotating machines in operation so that the excessive vibrations, which may occur particularly when passing through critical speeds or unstable regions, can be avoided. Semi-active type SFDs using magneto-rheological fluid (MR fluid), which responds to an applied magnetic field with a change in rheoloaical behavior, are introduced in order to find its applications to rotating machinery as an effective device attenuating unbalance responses. In this paper, a semi-active SFD using MR fluid is designed, tested and identified by means of linear analysis to investigate the capability of changing its dynamic properties such as damping and stiffness. Furthermore, the proposed device is applied to a rotor system to investigate its potential capability for vibration attenuation: an efficient method for selecting the optimal location of the proposed damper is introduced and control algorithm that could improve the unbalance response properties of a flexible rotor is also proposed.

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A Novel Strategy for Thermostability Improvement of Trypsin Based on N-Glycosylation within the Ω-Loop Region

  • Guo, Chao;Liu, Ye;Yu, Haoran;Du, Kun;Gan, Yiru;Huang, He
    • Journal of Microbiology and Biotechnology
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    • 제26권7호
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    • pp.1163-1172
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    • 2016
  • The Ω-loop is a nonregular and flexible structure that plays an important role in molecular recognition, protein folding, and thermostability. In the present study, molecular dynamics simulation was carried out to assess the molecular stability and flexibility profile of the porcine trypsin structures. Two Ω-Loops (fragment 57-67 and fragment 78-91) were confirmed to represent the flexible region. Subsequently, glycosylation site-directed mutations (A73S, N84S, and R104S) were introduced within the Ω-loop region and its wing chain based on its potential N-glycosylation sites (Asn-Xaa-Ser/Thr consensus sequences) and structure information to improve the thermostability of trypsin. The result demonstrated that the half-life of the N84S mutant at 50℃ increased by 177.89 min when compared with that of the wild-type enzyme. Furthermore, the significant increase in the thermal stability of the N84S mutant has also been proven by an increase in the Tm values determined by circular dichroism. Additionally, the optimum temperatures of the wild-type enzyme and the N84S mutant were 75℃ and 80℃, respectively. In conclusion, we obtained the thermostability-improved enzyme N84S mutant, and the strategy used to design this mutant based on its structural information and N-linked glycosylation modification could be applied to engineer other enzymes to meet the needs of the biotechnological industry.

헬기 탑재용 전자장비의 동특성 분석 절차 (Dynamic Characteristic Analysis Procedure of Helicopter-mounted Electronic Equipment)

  • 이종학;권병현;박노철;박영필
    • 한국소음진동공학회논문집
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    • 제23권8호
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    • pp.759-769
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    • 2013
  • 기동중인 헬리콥터는 공기역학적인 현상에 의하여 발생하는 불규칙 진동과 회전날개의 작동으로 인한 정현파 진동이 합성되어 발생하는 진동, 작업 및 착륙 시 발생하는 충격, 그리고 갑작스런 기동 시 발생하는 가속도와 같은 동적 하중에 노출 된다. 이때 발생하는 진동과 같은 동적 하중은 기체내부로 전달되어 헬리콥터운용에 필요한 전자장비를 가진 한다. 과거에 이러한 현상을 최소화하기 위하여 진동크기 감쇠시키기 위한 완충기를 전자장비의 장착대에 적용하여 왔다. 그러나 헬리콥터의 경우, 저주파에서 정현파 가진이 발생하므로 완충기 적용은 오히려 장착 플레이트 및 전자장비 부품의 파손을 발생시킬 수 있다. 이 연구에서는 완충기를 제거한 장착대를 동적 하중에 강건하며 전자장비에 전달되는 진동크기를 최소화 하도록 설계하였다. 완충기를 제거한 장착 대를 적용 시, 무게와 부피를 획기적으로 줄일 수 있으며 전자장비를 기체에 체결하는 나사 수가 적어짐에 따라 체결작업에 필요한 시간이 감소되는 장점을 갖는다. 최적화 해석에 적용되는 동적 하중을 선정하기 위하여 진동, 충격, 가속도하중을 비교 분석하여 가장 결정적인 동적 하중인 진동에 의한 하중을 선정하였다. 전체모델 유한요소 해석을 통하여 전자장비의 동적 거동을 분석하고 최적화 해석에 필요한 단순화 모델을 구축하였으며, 모달 테스트를 통해서 동특성을 검증하였다. 위상 최적화를 적용하여 강성대비 체적비가 큰 장착대의 형상을 도출한 후 고유진동수, 응력을 제약조건으로 무게가 최소화 되도록 하는 파라미터 최적화를 수행하여 장착대의 최종 형상 및 치수를 결정하였다. 개선모델은 체적 및 질량이 약 13 % 감소하였으며 사용시간은 규격대비 9.2배 증가하였다. 마지막으로 최적화된 장착대를 운용중인 실제 장비에 적용하여 진동환경에 대한 안정성을 평가하였다.

바라쿠다 시뮬레이션을 이용한 유동층 외부 열교환기의 유동해석 (Analysis of Fluidization in a Fluidized Bed External Heat Exchanger using Barracuda Simulation)

  • 이종민;김동원;박경일;이규화
    • Korean Chemical Engineering Research
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    • 제58권4호
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    • pp.642-650
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    • 2020
  • 순환유동층 보일러에서 유동 입자들의 순환 경로는 연소로에서 비산된 입자들이 사이클론에서 포집되어 비기계적 밸브인 실포트(Sealpot)를 거쳐 연소로로 재순환하는 일반적인 경로를 갖는다. 그러나, 유동 입자들로부터 열을 추가적으로 흡수하기 위해 유동층 외부열교환기(FBHE; Fluidized Bed Heat Exchanger)가 설치된 경우, 실포트의 일부 입자들은 FBHE를 거쳐 연소로로 재순환하는 경로를 갖게 된다. 이때 기포유동층 영역으로 운전되는 FBHE는 실포트로부터 유입되는 고온(800~950 ℃)의 입자들의 유동 특성에 따라 열교환 튜브의 국부적 가열로 인한 손상 및 hot spot에 의한 입자들의 고온 뭉침(agglomeration)이 발생할 수 있어 순환유동층의 안정적 조업에 영향을 미칠 수 있다. 본 연구에서는 국내 D 순환유동층 보일러의 FBHE에 대한 운전자료 분석 및 바라쿠다를 통한 CPFD(Computational Particle Fluid Dynamics) 해석을 통해 구조적 문제로부터 발생하는 열흐름의 불균일성을 밝혀내었다. 실제 D 순환유동층의 FBHE 열교환 튜브 온도는 실포트의 고체온도 변화와 가장 밀접한 상관관계를 나타내었으며, FBHE 내의 열흐름의 불균일성은 FBHE의 조업 유속의 증가(0.3→0.7 m/s)로는 그 불균일성을 해소하기 어려운 것으로 나타났다. 그러나, FBHE로 유입되는 고온 입자들에 대한 사전 혼합 영역(Premixing Zone)이 설치된 경우와, 연소로로 재순환되는 입자 배출 라인의 대칭화를 통한 구조변경 시, 입자 혼합의 증대와 더불어 열흐름의 불균일성은 상당 부분 감소하는 것으로 고찰되었다. 이에, FBHE의 구조 최적화가 열교환 성능 및 운전 안정성을 확보하는 대안임을 제시하였다.

반건식 반응기와 백필터를 결합한 하이브리드 대기오염제어 시스템의 수치해석적 연구(I) (A Study on Numerical Calculations of Hybrid Air Pollution Control System Coupled with SDR and Bag Filter)

  • 권영현;김진욱;정유진;김민철;이재정;이강우;손병현
    • 한국산학기술학회논문지
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    • 제11권11호
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    • pp.4656-4663
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    • 2010
  • 본 연구에서는 복합 후처리장치의 최적 모델 개발을 위해 반응기 내부 유동 특성 및 유량 분배 수준, 공기 연령, 체류시간 등과 관련지어 3차원 전산유체역학(CFD)을 수행하였다. 백필터의 각 격실별로 유량 분배가 크게 차이가 발생해 반건식 반응기(SDR)에 편류현상이 발생할 것으로 예측되어 백필터에 균등한 유량 분배를 위한 구조 개선이 시급한 것으로 나타났다. 또한 SDR의 유입구 구조 변경을 통해 반응기 내부의 속도장과 체류시간 분포 특성을 개선할 수 있는 것으로 나타났다. 본 해석을 이용하여 수정 보완한 배가스 복합 후처리장치는, 반건식 반응기와 백필터 처리부가 일체화되어 있어 장치가 콤팩트하고 설치면적이 적으며 운영 및 관리가 매우 편리할 것으로 판단된다.