arXiv subjects

Jiaojiao Liu

Publications and source records attributed to Jiaojiao Liu.

4 recordsLinked to original sources

arXiv2025

Graph Convolutional Long Short-Term Memory Attention Network for Post-Stroke Compensatory Movement Detection Based on Skeleton Data

Most stroke patients experience upper limb motor dysfunction. Compensatory movements are prevalent during rehabilitation training, which is detrimental to patients' long-term recovery. Therefore, detecting compensatory movements is of great significance. In this study, a Graph Convolutional Long Short-Term Memory Attention Network (GCN-LSTM-ATT) based on skeleton data is proposed for the detection of compensatory movements after stroke. Sixteen stroke patients were selected in the research. The skeleton data of the patients performing specific rehabilitation movements were collected using the Kinect depth camera. After data processing, detection models were constructed respectively using the GCN-LSTM-ATT model, the Support Vector Machine(SVM), the K-Nearest Neighbor algorithm(KNN), and the Random Forest(RF). The results show that the detection accuracy of the GCN-LSTM-ATT model reaches 0.8580, which is significantly higher than that of traditional machine learning algorithms. Ablation experiments indicate that each component of the model contributes significantly to the performance improvement. These findings provide a more precise and powerful tool for the detection of compensatory movements after stroke, and are expected to facilitate the optimization of rehabilitation training strategies for stroke patients.

cs.CV↗

arXiv2023

Coexistence of multiple interfacial states at heterogeneous solid/liquid interface

The growing trend towards engineering interfacial complexion (or phase) transitions has been seen in the grain boundary and solid surface systems.Meanwhile, little attention has been paid to the chemically heterogeneous solid/liquid interfaces. In this work, novel in-plane multi-interfacial states coexist within the Cu(111)/Pb(l) interface at a temperature just above the Pb freezing point is uncovered using atomistic simulations.Four monolayer interfacial states, i.e., two CuPb alloy liquids and two pre-freezing Pb solids, are observed coexisting within two interfacial layers sandwiched between the bulk solid Cu and bulk liquid Pb. Through computing the spatial variations of various properties along the direction normal to the in-plane solid-liquid boundary lines for both interfacial layers, a rich and varied picture depicting the inhomogeneity and anisotropy in the mechanical, thermodynamical, and dynamical properties is presented. The bulk values extracted from the in-plane profiles suggest that each interfacial state examined has distinct equilibrium values from each other and significantly deviates from those of the bulk solid and liquid phases, and indicate that the complexion (or phase) diagrams for the Cu(111)/Pb(l) interface bears a resemblance to that of the eutectic binary alloy systems, instead of the monotectic phase diagram for the bulk CuPb alloy. The reported data could support the development of interfacial complexion (or phase) diagrams and interfacial phase rules and provide a new guide for regulating heterogeneous nucleation and wetting processes.

cond-mat.mtrl-sci↗

arXiv2019

Can all-atom protein dynamics be reconstructed from the knowledge of C-alpha time evolution?

We inquire to what extent protein peptide plane and side chain dynamics can be reconstructed from knowledge of C-alpha dynamics. Due to lack of experimental data we analyze all atom molecular dynamics trajectories from Anton supercomputer, and for clarity we limit our attention to the peptide plane O atoms and side chain C-beta atoms. We try and reconstruct their dynamics using four different approaches. Three of these are the publicly available reconstruction programs Pulchra, Remo Scwrl4. The fourth, Statistical Method, builds entirely on statistical analysis of Protein Data Bank (PDB) structures. All four methods place the O and C-beta atoms accurately along the Anton trajectories. However, the Statistical Method performs best. The results suggest that under physiological conditions, the all atom dynamics is slaved to that of C-alpha atoms. The results can help improve all atom force fields, and advance reconstruction and refinement methods for reduced protein structures. The results provide impetus for development of effective coarse grained force fields in terms of reduced coordinates.

q-bio.BM↗

arXiv2016

Towards multistage modelling of protein dynamics with monomeric Myc oncoprotein as an example

We propose to combine a mean field approach with all atom molecular dynamics into a multistage algorithm that can model protein folding and dynamics over very long time periods yet with atomic level precision. As an example we investigate an isolated monomeric Myc oncoprotein that has been implicated in carcinomas including those in colon, breast and lungs. Under physiological conditions a monomeric Myc is presumed to be an example of intrinsically disordered proteins, that pose a serious challenge to existing modelling techniques. We argue that a room temperature monomeric Myc is in a dynamical state, it oscillates between different conformations that we identify. For this we adopt the C-alpha backbone of Myc in a crystallographic heteromer as an initial Ansatz for the monomeric structure. We construct a multisoliton of the pertinent Landau free energy, to describe the C-alpha profile with ultra high precision. We use Glauber dynamics to resolve how the multisoliton responds to repeated increases and decreases in ambient temperature. We confirm that the initial structure is unstable in isolation. We reveal a highly degenerate ground state landscape, an attractive set towards which Glauber dynamics converges in the limit of vanishing ambient temperature. We analyse the thermal stability of this Glauber attractor using room temperature molecular dynamics. We identify and scrutinise a particularly stable subset in which the two helical segments of the original multisoliton align in parallel, next to each other. During the MD time evolution of a representative structure from this subset, we observe intermittent quasiparticle oscillations along the C-terminal alpha-helix, some of which resemble a translating Davydov's Amide-I soliton. We propose that the presence of oscillatory motion is in line with the expected intrinsically disordered character of Myc.

q-bio.BM↗