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Updated: Jun 17, 2026

Scalable Nanohelices for Predictive Studies and Enhanced 3D Visualization
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Scalable Nanohelices for Predictive Studies and Enhanced 3D Visualization

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尺寸依赖的富勒伦可增强l-氨酸的相互作用:一种联合的DFT和MD模拟方法

Sourav Kanti Jana1, Narayan N Som2, Prafulla K Jha1

  • 1Department of Physics, Faculty of Science, The Maharaja Sayajirao University of Baroda, Vadodara, Gujarat 39002, India.

Langmuir : the ACS journal of surfaces and colloids
|June 25, 2024
PubMed
概括

像C24和C36这样的较小富勒伦与l-leucine具有强烈的相互作用,这使得它们对生物传感器具有前景. 这些基于富勒的传感器对于检测糖尿病 (MSUD) 中的l-leucine至关重要.

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Probing C84-embedded Si Substrate Using Scanning Probe Microscopy and Molecular Dynamics

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Multiscale Sampling of a Heterogeneous Water/Metal Catalyst Interface using Density Functional Theory and Force-Field Molecular Dynamics10:52

Multiscale Sampling of a Heterogeneous Water/Metal Catalyst Interface using Density Functional Theory and Force-Field Molecular Dynamics

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相关概念视频

Real Gases: Effects of Intermolecular Forces and Molecular Volume Deriving Van der Waals Equation04:01

Real Gases: Effects of Intermolecular Forces and Molecular Volume Deriving Van der Waals Equation

Thus far, the ideal gas law, PV = nRT, has been applied to a variety of different types of problems, ranging from reaction stoichiometry and empirical and molecular formula problems to determining the density and molar mass of a gas. However, the behavior of a gas is often non-ideal, meaning that the observed relationships between its pressure, volume, and temperature are not accurately described by the gas laws.
¹³C NMR: Distortionless Enhancement by Polarization Transfer (DEPT)01:20

¹³C NMR: Distortionless Enhancement by Polarization Transfer (DEPT)

When proton-coupled carbon-13 spectra are simplified by a broadband proton decoupling technique, structural information about the coupled protons is lost. Distortionless enhancement by polarization transfer (DEPT) is a technique that provides information on the number of hydrogens attached to each carbon in a molecule. While the DEPT experiment utilizes complex pulse sequences, the pulse delay and flip angle are specifically manipulated. The resulting signals have different phases depending on...