MLR Institute of Technology, Hyderabad, India.
Department of Electronics and Communication Engineering, GL Bajaj Institute of Technology and Management, Greater Noida, U.P., India.
PLoS One. 2024 Sep 10;19(9):e0310166. doi: 10.1371/journal.pone.0310166. eCollection 2024.
This study demonstrates the use of computational methods to simulate the molecular dynamics involved in hemoglobin concentration sensing, utilizing Material Studio and the TCAD Silvaco device simulator. A non-invasive and flexible Graphene/MoS2 heterostructure has been proposed for sensing hemoglobin concentration in blood samples. The findings reveal a notable shift in the wavelength-dependent refractive index and extinction coefficient, as well as significant changes in the absorption coefficient and reflectivity of the Graphene/MoS2 heterostructure in response to different hemoglobin concentrations, specifically within an approximate range of 0.3 μm to 1 μm. Moreover, the spectral response of the heterostructure demonstrates that at a particular wavelength of approximately 600 nm, a maximum response is obtained. This wavelength can be considered optimal for detecting various levels of hemoglobin using this heterostructure. The anticipated outcome is a comprehensive understanding of the fundamental principles, ultimately resulting in the development of an exceptionally sensitive platform for detecting hemoglobin concentration.
本研究利用计算方法模拟血红蛋白浓度感应中的分子动力学，使用了 Materials Studio 和 TCAD Silvaco 器件模拟器。提出了一种非侵入性和灵活的石墨烯/ MoS2 异质结构，用于感应血液样本中的血红蛋白浓度。研究结果表明，在不同的血红蛋白浓度下，波长相关的折射率和消光系数会发生明显的偏移，并且石墨烯/ MoS2 异质结构的吸收系数和反射率也会发生显著变化，具体在 0.3 μm 到 1 μm 左右的近似范围内。此外，异质结构的光谱响应表明，在大约 600nm 的特定波长下，可获得最大响应。可以认为这个波长是使用这种异质结构检测各种血红蛋白水平的最佳波长。预期的结果是对基本原理的全面理解，最终开发出一种用于检测血红蛋白浓度的超高灵敏度平台。
