A series of molecular dynamics (MD) simulations up to 1 μs for bovine insulin monomer in different external electric fields were carried out to study the effect of external electric field on conformational integrity of insulin. Our results show that the secondary structure of insulin is kept intact under the external electric field strength below 0.15 V/nm, but disruption of secondary structure is observed at 0.25 V/nm or higher electric field strength. Although the starting time of secondary structure disruption of insulin is not clearly correlated with the strength of the external electric field ranging between 0.15 and 0.60 V/nm, long time MD simulations demonstrate that the cumulative effect of exposure time under the electric field is a major cause for the damage of insulin's secondary structure. In addition, the strength of the external electric field has a significant impact on the lifetime of hydrogen bonds when it is higher than 0.60 V/nm. The fast evolution of some hydrogen bonds of bovine insulin in the presence of the 1.0 V/nm electric field shows that different microwaves could either speed up protein folding or destroy the secondary structure of globular proteins deponding on the intensity of the external electric field.
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Sci Rep
December 2024
Jihua Laboratory, Foshan, 528000, China.
Surface-enhanced Raman scattering (SERS) technology has attracted more and more attention due to its high sensitivity, low water interference, and quick measurement. Constructing high-performance SERS substrates with high sensitivity, uniformity and reproducibility is of great importance to put the SERS technology into practical application. In this paper, we report a simple fabrication process to construct dense silver-coated PMMA nanoparticles-on-a-mirror SRES substrates.
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December 2024
Department of Mechanical Engineering, Sejong University, Seoul, Republic of Korea.
Nonthermal plasma has been extensively utilized in various biomedical fields, including surface engineering of medical implants to enhance their biocompatibility and osseointegration. To ensure robustness and cost effectiveness for commercial viability, stable and effective plasma is required, which can be achieved by reducing gas pressure in a controlled volume. Here, we explored the impact of reduced gas pressure on plasma properties, surface characteristics of plasma-treated implants, and subsequent biological outcomes.
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December 2024
Key Laboratory for Quantum Materials of Zhejiang Province, Department of Physics, School of Science, Westlake University, 18 Shilongshan Road, Hangzhou, 310024, Zhejiang Province, China.
Extending ferroelectric materials to two-dimensional limit provides versatile applications for the development of next-generation nonvolatile devices. Conventional ferroelectricity requires materials consisting of at least two constituent elements associated with polar crystalline structures. Monolayer graphene as an elementary two-dimensional material unlikely exhibits ferroelectric order due to its highly centrosymmetric hexagonal lattices.
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December 2024
Department of Electrical and Electronic Engineering, Bangladesh University of Engineering and Technology, Dhaka, 1205, Bangladesh.
Prediction and discovery of new materials with desired properties are at the forefront of quantum science and technology research. A major bottleneck in this field is the computational resources and time complexity related to finding new materials from ab initio calculations. In this work, an effective and robust deep learning-based model is proposed by incorporating persistent homology with graph neural network which offers an accuracy of and an F1 score of in classifying topological versus non-topological materials, outperforming the other state-of-the-art classifier models.
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December 2024
School of Chemistry and Chemical Engineering, Frontiers Science Center for Transformative Molecules, Shanghai Jiao Tong University, Shanghai, 200240, P. R. China.
Electrochemical nitrate reduction reaction offers a sustainable and efficient pathway for ammonia synthesis. Maintaining satisfactory Faradaic efficiency for long-term nitrate reduction under ampere-level current density remains challenging due to the inevitable hydrogen evolution, particularly in pure nitrate solutions. Herein, we present the application of electron deficiency of Ru metals to boost the repelling effect of counter K ions via the electric-field-dependent synergy of interfacial water and cations, and thus largely promote nitrate reduction reaction with a high yield and well-maintained Faradaic efficiency under ampere-level current density.
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