Results 71 to 80 of about 27,611 (242)

Anomalies, VMD and the Enjl Model

, 1993
8 pages, plain LaTeX, preprint NORDITA - 93/69 N,P and NBI-93 ...
Bijnens, Johan, Prades, Joaquim
openaire   +2 more sources

Multiscale Modelling of the Electrocatalysis of Microenzymes: Insights Into the Performance of Microperoxidase at an Aqueous/Graphene Interface and Their Exploitation to Improve Performance

Advanced Science, EarlyView.
A novel multiscale MD/DFT framework to elucidate microenzyme adsorption and electron transfer is reported. This method reveals distinct configurations for microperoxidase‐11 on graphene and those best suited for electron transfer. Rate constants align with the limited experimental data, establishing this framework as a tool for optimizing microenzyme ...
Milan Mijajlovic, Cheng Hu, Yuhui Sun, Matthew J. Penna, Meisam V. Kiamahalleh, Wenrong Yang, Mark J. Biggs   +6 more
wiley   +1 more source

A customised 1D-CNN for recognition of freezing of gait in Parkinson’s disease using multivariate decomposition techniques

Open Computer Science
The freezing of gait (FoG) presents a sudden challenge in sustaining movement which becomes a common gait issue in people with later stages of Parkinson’s disease (PD). FoG often results in falls that reduces the individual’s impact on life.
Rajendran Nancy, Selvaraj Thomas G., Pennagaram Krushnakumar Kalkeseetharaman, Ashwala Ravi T., Muthu Sinnasamy Pandian Subathra   +4 more
doaj   +1 more source

TRAF6 Lactylation in Glycolytic Macrophages Drives NF‐κB Signaling and M1 Polarization During Orthodontic Tooth Movement

Advanced Science, EarlyView.
Schematic diagram showing compressive stress triggers glycolytic reprogramming and lactate accumulation in macrophages. Lactate mediates TRAF6 lactylation at K171/K180 dual sites, which enhances its K63‐linked ubiquitination to activate the NF‑κB pathway and promote M1 polarization. This cascade drives orthodontic tooth movement (OTM) and alveolar bone
Xinyi He, Guodong Zhao, Yun Hu, Wenya Bai, Hao Tan, Shuai Yuan, Sihan Yang, Ye Zhu, Xiaohui Xu, Leilei Zheng   +9 more
wiley   +1 more source

Phonon‐Driven Tetrahedral Tilts Enable Ultralow Bulk Thermal Expansion and Interstitial Oxide‐Ion Migration in Phenacite Solid Electrolytes

Advanced Science, EarlyView.
This work demonstrates a design paradigm of phonon‐driven negative‐thermal‐expansion (NTE) flexible framework that exploits the intrinsic lattice flexibility of NTE frameworks to simultaneously suppress thermal expansion and activate oxide‐ion conduction, offering a promising strategy to mitigate TEC mismatch in solid‐state ionic devices.
Xiaohui Li, Lu liang, Qilong Shi, Xiaoge Wang, Cheng Li, Sihao Deng, Lunhua He, Qiang Li, Kun Lin, Xianran Xing, Xiaojun Kuang   +10 more
wiley   +1 more source

A VMD Plugin for NAMD Simulations on Amazon EC2

Procedia Computer Science, 2012
AbstractVMD and NAMD are two major molecular dynamics simulation software packages, which can work together for mining structural information of bio-molecules. Carrying out such molecular dynamics simulations can help researchers to understand the roles and functions of various bio-molecules in life science research.
Adam Kai Leung Wong, Andrzej M. Goscinski   +1 more
openaire   +1 more source

Metal‐Half‐Salen Chemistry for One‐Pot Mineralization on Hydrophobic Polymer Membranes

Advanced Science, EarlyView.
Here we report a versatile one‐pot synthetic strategy for organic–inorganic composite membranes, which leverages a metal half‐Salen system to precisely govern the competing kinetics of coordination and hydrolysis. In contrast to conventional two‐step metal‐phenol chemistries, our integrated approach substantially simplifies the fabrication process ...
Rou‐Ming Wen, Hao Ye, Ming‐Bang Wu, Lu‐Lin Ma, Qi‐Hui Ye, Zi‐Hao Yuan, Yi Xie, Juming Yao, Hao‐Cheng Yang   +8 more
wiley   +1 more source

Fault Diagnosis Method for High-speed Train Gearbox Bearing Based on Improved VMD and Temperature-vibration Feature Fusion

Chengshi guidao jiaotong yanjiu
Objective Existing methods for high-speed train gearbox bearing monitoring and diagnosis in China often rely solely on temperature or vibration data.
WANG Lianfu, WANG Zifan, DONG Jianxiong, TIAN Guangrong   +3 more
doaj   +1 more source

Short-Term Water Demand Forecasting Model Combining Variational Mode Decomposition and Extreme Learning Machine

Hydrology, 2018
Accurate water demand forecasting is essential to operate urban water supply facilities efficiently and ensure water demands for urban residents. This study proposes an extreme learning machine (ELM) coupled with variational mode decomposition (VMD) for ...
Youngmin Seo, Soonmyeong Kwon, Yunyoung Choi   +2 more
doaj   +1 more source

Robust Photocatalytic Hydrogen Evolution Over a Conjugated Metal‐Organic Framework Heterojunction

Advanced Science, EarlyView.
We report a conjugated coordination polymer, Cd‐TMT (TMT = 1,3,5‐trimercaptotriazine), featuring an intrinsic molecular‐level charge transport network. The conjugated TMT ligands facilitate strong intra‐ligand charge transfer, while their ordered π‐π stacking along the [111] direction establishes a continuous pathway for directional electron migration,
Chunzhe Wang, Yufei Shan, Ruobing Chu, Lingzhi Yang, Zhanning Liu, Xiaoli Zhang, Jian Tian   +6 more
wiley   +1 more source