• Title/Summary/Keyword: molecular dynamics

Search Result 1,104, Processing Time 0.025 seconds

Single-cell RNA sequencing reveals the heterogeneity of adipose tissue-derived mesenchymal stem cells under chondrogenic induction

  • Jeewan Chun;Ji-Hoi Moon;Kyu Hwan Kwack;Eun-Young Jang;Saebyeol Lee;Hak Kyun Kim;Jae-Hyung Lee
    • BMB Reports
    • /
    • v.57 no.5
    • /
    • pp.232-237
    • /
    • 2024
  • This study investigated how adipose tissue-derived mesenchymal stem cells (AT-MSCs) respond to chondrogenic induction using droplet-based single-cell RNA sequencing (scRNA-seq). We analyzed 37,219 high-quality transcripts from control cells and cells induced for 1 week (1W) and 2 weeks (2W). Four distinct cell clusters (0-3), undetectable by bulk analysis, exhibited varying proportions. Cluster 1 dominated in control and 1W cells, whereas clusters (3, 2, and 0) exclusively dominated in control, 1W, and 2W cells, respectively. Furthermore, heterogeneous chondrogenic markers expression within clusters emerged. Gene ontology (GO) enrichment analysis of differentially expressed genes unveiled cluster-specific variations in key biological processes (BP): (1) Cluster 1 exhibited up-regulation of GO-BP terms related to ribosome biogenesis and translational control, crucial for maintaining stem cell properties and homeostasis; (2) Additionally, cluster 1 showed up-regulation of GO-BP terms associated with mitochondrial oxidative metabolism; (3) Cluster 3 displayed up-regulation of GO-BP terms related to cell proliferation; (4) Clusters 0 and 2 demonstrated similar up-regulation of GO-BP terms linked to collagen fibril organization and supramolecular fiber organization. However, only cluster 0 showed a significant decrease in GO-BP terms related to ribosome production, implying a potential correlation between ribosome regulation and the differentiation stages of AT-MSCs. Overall, our findings highlight heterogeneous cell clusters with varying balances between proliferation and differentiation before, and after, chondrogenic stimulation. This provides enhanced insights into the single-cell dynamics of AT-MSCs during chondrogenic differentiation.

Genetic disruption of ATAT1 causes RhoA downregulation through abnormal truncation of C/EBPβ

  • Jee-Hye Choi;Jangho Jeong;Jaegu Kim;Eunae You;Seula Keum;Seongeun Song;Ye Eun Hwang;Minjoo Ji;Kwon-Sik Park;Sangmyung Rhee
    • BMB Reports
    • /
    • v.57 no.6
    • /
    • pp.293-298
    • /
    • 2024
  • Microtubule acetylation has been shown to regulate actin filament dynamics by modulating signaling pathways that control actin organization, although the precise mechanisms remain unknown. In this study, we found that the downregulation of microtubule acetylation via the disruption ATAT1 (which encodes α-tubulin N-acetyltransferase 1) inhibited the expression of RhoA, a small GTPase involved in regulating the organization of actin filaments and the formation of stress fibers. Analysis of RHOA promoter and chromatin immunoprecipitation assays revealed that C/EBPβ is a major regulator of RHOA expression. Interestingly, the majority of C/EBPβ in ATAT1 knockout (KO) cells was found in the nucleus as a 27-kDa fragment (referred to as C/EBPβp27) lacking the N-terminus of C/EBPβ. Overexpression of a gene encoding a C/EBPβp27-mimicking protein via an N-terminal deletion in C/EBPβ led to competitive binding with wild-type C/EBPβ at the C/EBPβ binding site in the RHOA promoter, resulting in a significant decrease of RHOA expression. We also found that cathepsin L (CTSL), which is overexpressed in ATAT1 KO cells, is responsible for C/EBPβp27 formation in the nucleus. Treatment with a CTSL inhibitor led to the restoration of RHOA expression by downregulation of C/EBPβp27 and the invasive ability of ATAT1 KO MDA-MB-231 breast cancer cells. Collectively, our findings suggest that the downregulation of microtubule acetylation associated with ATAT1 deficiency suppresses RHOA expression by forming C/EBPβp27 in the nucleus through CTSL. We propose that CTSL and C/EBPβp27 may represent a novel therapeutic target for breast cancer treatment.

Static bending response of axially randomly oriented functionally graded carbon nanotubes reinforced composite nanobeams

  • Ahmed Amine Daikh;Ahmed Drai;Mohamed Ouejdi Belarbi;Mohammed Sid Ahmed Houari;Benoumer Aour;Mohamed A. Eltaher;Norhan A. Mohamed
    • Advances in nano research
    • /
    • v.16 no.3
    • /
    • pp.289-301
    • /
    • 2024
  • In this work, an analytical model employing a new higher-order shear deformation beam theory is utilized to investigate the bending behavior of axially randomly oriented functionally graded carbon nanotubes reinforced composite nanobeams. A modified continuum nonlocal strain gradient theory is employed to incorporate both microstructural effects and geometric nano-scale length scales. The extended rule of mixture, along with molecular dynamics simulations, is used to assess the equivalent mechanical properties of functionally graded carbon nanotubes reinforced composite (FG-CNTRC) beams. Carbon nanotube reinforcements are randomly distributed axially along the length of the beam. The equilibrium equations, accompanied by nonclassical boundary conditions, are formulated, and Navier's procedure is used to solve the resulting differential equation, yielding the response of the nanobeam under various mechanical loadings, including uniform, linear, and sinusoidal loads. Numerical analysis is conducted to examine the influence of inhomogeneity parameters, geometric parameters, types of loading, as well as nonlocal and length scale parameters on the deflections and stresses of axially functionally graded carbon nanotubes reinforced composite (AFG CNTRC) nanobeams. The results indicate that, in contrast to the nonlocal parameter, the beam stiffness is increased by both the CNTs volume fraction and the length-scale parameter. The presented model is applicable for designing and analyzing microelectromechanical systems (MEMS) and nanoelectromechanical systems (NEMS) constructed from carbon nanotubes reinforced composite nanobeams.

The effects of different factors on obstacle strength of irradiation defects: An atomistic study

  • Pan-dong Lin;Jun-feng Nie;Yu-peng Lu;Gui-yong Xiao;Guo-chao Gu;Wen-dong Cui;Lei He
    • Nuclear Engineering and Technology
    • /
    • v.56 no.6
    • /
    • pp.2282-2291
    • /
    • 2024
  • In this work we study the effects of different factors of dislocation loop on its obstacle strength when interacting with an edge dislocation. At first, the interaction model for dislocation and dislocation loop is established and the full and partial absorption mechanism is obtained. Then, the effect of temperature, size and burgers vector of dislocation loop are investigated. The relation between the obstacle strength and irradiation dose has been established, which bridges the irradiation source and microscale properties. Except that, the obstacle strength of C, Cr, Ni, Mn, Mo and P decorated dislocation loop is studied. Results show that the obstacle strength for dislocation loop decorated by alloy element decreases in the sequence of Cr, Ni, Mn, C, P and Mo, which could be used to help parameterize and validate crystal plasticity finite element model and therein integrated constitutive laws to enable accounting for irradiation-induced chemical segregation effects.

A study on the search and selection processes of targets presented on the CRT display (컴퓨터 모니터에 제시된 표적의 탐색과 선택과정에 관한 연구)

  • 이재식;신현정;도경수
    • Korean Journal of Cognitive Science
    • /
    • v.11 no.2
    • /
    • pp.37-51
    • /
    • 2000
  • The present study compared computer users target-selection response patterns when the targets were varied in terms of their relative location and distance from the current position of the cursor. In Experiment 1, where the mouse was used as an input device, the effects of different directions and distances of simple target(small rectangle) on target-selection response were investigated. The results of Experiment 1 can be summarized as follows: (1) Overshooting was more frequent than either undershooting or correct movement and (2) this tendency was more prominent when the targets were presented in the oblique direction or in farther location from the current cursor position. (3) Although the overshooting and undershooting were more frequent in the oblique direction, the degree of deviation was larger in horizontal and vertical direction. (4) Time spent in moving the mouse rather than that spent in planning, calibrating or clicking was found to be the most critical factor in determining total response time. In Experiment 2, effects of the font size and line-height of the target on target-selection response were compared with regard to two types of input devices(keyboard vs. mouse). The results are as follows: (1) Mouse generally yielded shorter target-selection time than keyboard. but this tendency was reversed when the targets were presented in horizontal and vertical directions. (2) In general, target-selection time was the longest in the condition of font size of 10 and line-height of 100%, and the shortest in the condition of font size of 12 and line-height of 150%. (3) When keyboard was used as the input device, target-selection time was shortest in the 150% line-height condition, whereas in the mouse condition, target-selection time tended to be increased as the line-height increased. which resulted in the significant interaction effect between input device and line-height. Finally, several issues relating to human-computer interaction were discussed based on the results of the present study.

  • PDF

Petrochemical study on the Daejeon-sa basalt in the Mt. Juwang area, Cheongsong (청송 주왕산지역 대전사 현무암의 암석화학적 연구)

  • 윤성효;이문원;고정선;김영라;안지영
    • The Journal of the Petrological Society of Korea
    • /
    • v.9 no.2
    • /
    • pp.84-98
    • /
    • 2000
  • Daejeon-sa basalt in the Mt. Juwang area composed of 12 basalt flows alternate with 9 peperites and each basalt and peperite has the variety of thickness. Peperites yielded in Daejeon-sa basalt are mixed of basalt with reddish shale, of which textural type is globular peperite. Basalts yielded in Daejeon-sa basalt are massive basalt without vesicule, although sometimes vesicules are founded in upper within a flow unit. The basalt has mainly pseudomorph of olivine as phenocryst, and also plagioclase and clinopyroxene phenocryst. Matrix is mainly subophitic texture. The plotting result on the TAS diagram shows these basalts belong to the sub-alkaline, and it can be subdivided into calc-alkaline series on the basis of the diagram of Si02 vs. K20 and of alkali index vs. A1203 diagram. According to plots of wt.% oxides vs. wt.% MgO, abundances of A1203 and CaO increase with decreasing MgO while F ~ dOecre~ase . With decreasing MgO compatible elements decrease while incompatible elements increase. In spider diagram of MORB-normalized trace element patterns, HFS elements are nearly similiar with MORB, but LIL elements are enriched. Especially, contents of Ce, F: and Sm are enriched but Nb is depleted. In the chondrite-normalized REE patterns light REEs are enriched than heavy REEs. Tectomagmatic discrimination diagrams shows basalts in the study area are formed in the tectonomagmatic environment of subduction zone under continental margin. This result accord with characters of chemical composition mentioned above. Cr vs. Y diagram and CeM, vs. Ce diagram show that the primary magma of the basalts may formed by the about 15% partial melting of garnet-peridotite in the mantle wedge. After then, Daejeon-sa basalts may formed from evolved magma undergone mainly olivine fractional crystallization and contarnination of crustal materials before eruption.

  • PDF

Comparison of Extractive Nitrogenous Constituents in Cultured and Wild Olive Flounder (Paralichthys olivaceus) Muscle (양식 및 자연산 넙치의 함질소엑스성분 비교)

  • 박춘규
    • Journal of the Korean Society of Food Science and Nutrition
    • /
    • v.29 no.1
    • /
    • pp.174-179
    • /
    • 2000
  • The nitrogenous compounds in the muscle extracts of cultured and wild olive flounder, Paralichthys olivaceous, were analyzed. The analyzed coumpounds were extractive nitrogen, free amino acids, oligopeptides, ATP and its related ompounds, quaternary ammonium bases, and guanidino compounds. The distribution pattern of these compounds in cultured and wild fish was found to be very similar. Although the ATP and its related compounds and creatine in the muscle of cultured fish were slightly abundant than those in the muscle of wild one, the extractive nitrogen, total free amino acid, oligopeptides, and TMAO were found to be slightly rich in the muscle of wild fish than those in the muscle of cultrued one. The moisture content of cultured fish was relatively lower but the protein and fat contents of cultured one were higher than those of wild fish. However the differences in the proximate composition, extractive nitrogen and nitrogenous compounds between two fishes were not significantly different.

  • PDF

Multiscale Analysis on Expectation of Mechanical Behavior of Polymer Nanocomposites using Nanoparticulate Agglomeration Density Index (나노 입자의 군집밀도를 이용한 고분자 나노복합재의 기계적 거동 예측에 대한 멀티스케일 연구)

  • Baek, Kyungmin;Shin, Hyunseong;Han, Jin-Gyu;Cho, Maenghyo
    • Composites Research
    • /
    • v.30 no.5
    • /
    • pp.323-330
    • /
    • 2017
  • In this study, multiscale analysis in which the information obtained from molecular dynamics simulation is applied to the continuum mechanics level is conducted to investigate the effects of clustering of silicon carbide nanoparticles reinforced into polypropylene matrix on mechanical behavior of nanocomposites. The elastic behavior of polymer nanocomposites is observed for various states of nanoparticulate agglomeration according to the model reflecting the degradation of interphase properties. In addition, factors which mainly affect the mechanical behavior of the nanocomposites are identified, and new index 'clustering density' is defined. The correlation between the clustering density and the elastic modulus of nanocomposites is understood. As the clustering density increases, the interfacial effect decreased and finally the improvement of mechanical properties is suppressed. By considering the random distribution of the nanoparticles, the range of elastic modulus of nanocomposites for same value of clustering density can be investigated. The correlation can be expressed in the form of exponential function, and the mechanical behavior of the polymer nanocomposites can be effectively predicted by using the nanoparticulate clustering density.

Architecture and Transport Properties of Membranes out of Graphene (그래핀에 기초한 막의 구조와 물질 전달 성질 개관)

  • Buchheim, Jakob;Wyss, Roman M.;Kim, Chang-Min;Deng, Mengmeng;Park, Hyung Gyu
    • Membrane Journal
    • /
    • v.26 no.4
    • /
    • pp.239-252
    • /
    • 2016
  • Two-dimensional materials offer unique characteristics for membrane applications to water technology. With its atomic thickness, availability and stackability, graphene in particular is attracting attention in the research and industrial communities. Here, we present a brief overview of the recent research activities in this rising topic with bringing two membrane architecture into focus. Pristine graphene in single- and polycrystallinity poses a unique diffusion barrier property for most of chemical species at broad ambient conditions. If well designed and controlled, physical and chemical perforation can turn this barrier layer to a thinnest feasible membrane that permits ultimate permeation at given pore sizes. For subcontinuum pores, both molecular dynamics simulations and experiments predict potential salt rejection to envisage a seawater desalination application. Another novel membrane architecture is a stack of individual layers of 2D materials. When graphene-based platelets are chemically modified and stacked, the interplanar spacing forms a narrow transport pathway capable of separation of solvated ions from pure water. Bearing unbeknownst permeance and selectivity, both membrane architecture - ultrathin porous graphene and stacked platelets - offer a promising prospect for new extraordinary membranes for water technology applications.

An Introduction to Kinetic Monte Carlo Methods for Nano-scale Diffusion Process Modeling (나노 스케일 확산 공정 모사를 위한 동력학적 몬테칼로 소개)

  • Hwang, Chi-Ok;Seo, Ji-Hyun;Kwon, Oh-Seob;Kim, Ki-Dong;Won, Tae-Young
    • Journal of the Institute of Electronics Engineers of Korea SD
    • /
    • v.41 no.6
    • /
    • pp.25-31
    • /
    • 2004
  • In this paper, we introduce kinetic Monte Carlo (kMC) methods for simulating diffusion process in nano-scale device fabrication. At first, we review kMC theory and backgrounds and give a simple point defect diffusion process modeling in thermal annealing after ion (electron) implantation into Si crystalline substrate to help understand kinetic Monte Carlo methods. kMC is a kind of Monte Carlo but can simulate time evolution of diffusion process through Poisson probabilistic process. In kMC diffusion process, instead of. solving differential reaction-diffusion equations via conventional finite difference or element methods, it is based on a series of chemical reaction (between atoms and/or defects) or diffusion events according to event rates of all possible events. Every event has its own event rate and time evolution of semiconductor diffusion process is directly simulated. Those event rates can be derived either directly from molecular dynamics (MD) or first-principles (ab-initio) calculations, or from experimental data.