Numerical exploration of nonlinear spectral analysis for measuring saturable absorption recovery time demonstrates monotonic relationship between it and difference spectra. The results also reveal a certain tolerance ...
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The final objective of this research project is to develop a lecture archive summarization platform that can extend learners' experience by automatically estimating and providing temporal and spatial ROI (Regions ...
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Accurately estimating protein–ligand binding free energy is crucial for drug design and biophysics, yet remains a challenging task. In this study, we applied the screening molecular mechanics/Poisson–Boltzmann surfa...
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Accurately estimating protein–ligand binding free energy is crucial for drug design and biophysics, yet remains a challenging task. In this study, we applied the screening molecular mechanics/Poisson–Boltzmann surface area(MM/PBSA)method in combination with various machine learning techniques to compute the binding free energies of protein–ligand interactions. Our results demonstrate that machine learning outperforms direct screening MM/PBSA calculations in predicting protein–ligand binding free energies. Notably, the random forest(RF) method exhibited the best predictive performance,with a Pearson correlation coefficient(rp) of 0.702 and a mean absolute error(MAE) of 1.379 kcal/mol. Furthermore, we analyzed feature importance rankings in the gradient boosting(GB), adaptive boosting(Ada Boost), and RF methods, and found that feature selection significantly impacted predictive performance. In particular, molecular weight(MW) and van der Waals(VDW) energies played a decisive role in the prediction. Overall, this study highlights the potential of combining machine learning methods with screening MM/PBSA for accurately predicting binding free energies in biosystems.
Aqueous zinc-ion capacitors (ZICs) are considered as potential candidates for next generation electrochemical energy storage devices due to their high safety and low ***,the existing aqueous ZICs usually have the prob...
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Aqueous zinc-ion capacitors (ZICs) are considered as potential candidates for next generation electrochemical energy storage devices due to their high safety and low ***,the existing aqueous ZICs usually have the problems of zinc dendrite growth and unsatisfactory performance at low ***,an erythritol (Eryt) additive with inhibition of zinc dendrites and anti-freezing capability was introduced into the *** experimental characterization and theoretical calculation confirm that the Eryt adsorbed on the surface of zinc anodes regulates the deposition orientation of Zn^(2+) and inhibits the formation of *** also reconstructs the solvation structure in the electrolyte to reduce water activity,enabling the electrolyte to have a lower freezing point for operation at low *** the assistance of Eryt,the Zn||Zn symmetric cell exhibits a long cycle life of 2000 h,while the ZIC assembled with activated carbon (AC) cathode and zinc anode (Zn||AC) maintains a capacity retention of 98.2% after 30,000 cycles at a current density of 10 A g^(-1)(even after 10,000 cycles at-20°C,the capacity retention rate reached 94.8%.).This work provides a highly scalable,low-cost and effective strategy for the protection of the anodes of low-temperature aqueous ZICs.
Due to the COVID-19 pandemic, most universities endeavored to adopt online education as an alternative to conventional face-to-face classroom instruction. However, capturing students' Temporal Region of Interest (...
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The increasing number of orbiting satellites has motivated the development of active debris removal and on-orbit servicing missions. The KAIST Satellite technology and researchcenter plans to capture and de-orbit Ko...
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This paper presents the results of the Fin-DBQA shared task based on a question-answering dataset, focusing on database querying and reasoning. The dataset, consisting of 400 questions grouped into 40 conversations, e...
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Scandium(Sc)is recognized as a“strategic”and“critical”element by several countries,including the *** Russia,owing to its wide range of applications in high-tech fields such as superconductivity,alloys,lasers,nucle...
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Scandium(Sc)is recognized as a“strategic”and“critical”element by several countries,including the *** Russia,owing to its wide range of applications in high-tech fields such as superconductivity,alloys,lasers,nuclear energy,and aerospace[1].
Gel polymer electrolytes(GPEs)effectively combine the advantages of high ionic conductivity and re-duce the risk of leakage associated with *** this study,a chemically cross-linked gel polymer electrolyte was prepared...
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Gel polymer electrolytes(GPEs)effectively combine the advantages of high ionic conductivity and re-duce the risk of leakage associated with *** this study,a chemically cross-linked gel polymer electrolyte was prepared by in-situ polymerization using polymethyl methacrylate(PMMA)as a matrix and neopentyl glycol diacrylate(NPGDA)as cross-linking *** cross-linked structure of the GPE was preliminarily investigated,as well as the influence of the degree of cross-linking on its phys-ical *** GPE exhibited a superior conductivity of 1.391 mS cm^(-1) at 25℃.Herein,the Li|GPE|LiNi_(0.8) Co_(0.1) Mn_(0.1) O_(2) cell has an excellent capacity retention rate of 80.7%after 150 cycles at 0.5 C in addition to a high discharge specific capacity of 203 mAh g^(-1).The structure of the cathode ma-terial is shielded from the production of byproducts during the charging and discharging of lithium-ion batteries by the cross-linked PMMA GPE.
Virtual reality technology has the potential to revolutionize immersive experiences in various applications, including office settings. However, efficient text entry in VR remains a significant challenge. This study a...
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