scholarly journals Computational investigation of protein photoinactivation by molecular hyperthermia

2020 ◽  
Author(s):  
Peiyuan Kang ◽  
Chen Xie ◽  
Oumar Fall ◽  
Jaona Randrianalisoa ◽  
Zhenpeng Qin

AbstractTo precisely control protein activity in a living system is a challenging yet long-pursued objective in biomedical sciences. Recently we have developed a new approach named molecular hyperthermia (MH) to photoinactivate protein activity of interest without genetic modification. MH utilizes nanosecond laser pulse to create nanoscale heating around plasmonic nanoparticles to inactivate adjacent protein in live cells. Here we use a numerical model to study important parameters and conditions for MH to efficiently inactivate proteins in nanoscale. To quantify the protein inactivation process, the impact zone is defined as the range where proteins will be inactivated by nanoparticle localized heating. Factors that reduce the MH impact zone include stretching the laser pulse duration, temperature-dependent thermal conductivity (versus constant properties), and non-spherical nanoparticle geometry. In contrast, the impact zone is insensitive to temperature-dependent material density and specific heat, as well as thermal interface resistance based on reported data. The low thermal conductivity of cytoplasm increases the impact zone. Different proteins with various Arrhenius kinetic parameters have significantly different impact zones. This study provides guidelines to design the protein inactivation process in MH.

2020 ◽  
Vol 143 (3) ◽  
Author(s):  
Peiyuan Kang ◽  
Chen Xie ◽  
Oumar Fall ◽  
Jaona Randrianalisoa ◽  
Zhenpeng Qin

Abstract To precisely control protein activity in a living system is a challenging yet long-pursued objective in biomedical sciences. Recently, we have developed a new approach named molecular hyperthermia (MH) to photoinactivate protein activity of interest without genetic modification. MH utilizes nanosecond laser pulse to create nanoscale heating around plasmonic nanoparticles to inactivate adjacent protein in live cells. Here we use a numerical model to study important parameters and conditions for MH to efficiently inactivate proteins in nanoscale. To quantify the protein inactivation process, the impact zone is defined as the range where proteins are inactivated by the nanoparticle localized heating. Factors that reduce the MH impact zone include the laser pulse duration, temperature-dependent thermal conductivity (versus constant properties), and nonspherical nanoparticle geometry. In contrast, the impact zone is insensitive to temperature-dependent material density and specific heat, as well as thermal interface resistance based on reported data in the literature. The low thermal conductivity of cytoplasm increases the impact zone. Different proteins with various Arrhenius kinetic parameters have significantly different impact zones. This study provides guidelines to design the protein inactivation process by MH.


2015 ◽  
Vol 25 (1) ◽  
pp. 42-55 ◽  
Author(s):  
E Kaselouris ◽  
IK Nikolos ◽  
Y Orphanos ◽  
M Bakarezos ◽  
NA Papadogiannis ◽  
...  

The elastoplastic dynamic mechanical behavior of thin metallic films excited by a nanosecond laser pulse is studied. The dynamic response of the metal films is numerically described by a coupled thermal–structural, transient three-dimensional model based on the finite element method. The developed finite element model takes into account the temperature-dependent true stress–strain curves, the temperature-dependent thermal properties and matters phase changes. Since the numerical simulations include the dynamic changes of the metallic materials mechanical properties, the obtained spatiotemporal numerical solutions provide detailed descriptions of their elastoplastic response. Thus, the experimentally validated model is able to diagnose and predict spatiotemporally matters elastic and plastic deformations that occur during the interaction with a nanosecond laser pulse. Gold, copper, and aluminum thin metallic films are used as test cases to demonstrate the effectiveness of the proposed finite element modeling and simulation.


2017 ◽  
Vol 124 (1) ◽  
Author(s):  
Haichao Yu ◽  
Lugui Cui ◽  
Kai Zhang ◽  
Jun Yang ◽  
Hanyang Li

1994 ◽  
Vol 7 (3) ◽  
pp. 175-188 ◽  
Author(s):  
Taiqing Qiu ◽  
Chang-Lin Tien ◽  
Mark A. Shannon ◽  
Richard E. Russo

2014 ◽  
Vol 1 (1) ◽  
pp. 7-21
Author(s):  
S. N. Hoseinimotlagh ◽  
M. Jahedi

The fast ignition (FI) mechanism, in which a pellet containing the thermonuclear fuel is first compressed by a nanosecond laser pulse, and then  irradiated by an intense "ignition" beam, initiated by a  high power picosecond laser pulse,  is one of the promising approaches to the realization of the inertial confinement fusion (ICF). If the ignition beam is composed of deuterons, an additional energy is delivered to the target, coming from fusion reactions of the beam-target type, directly initiated by particles from the ignition  beam .In this work, we choose the D+T fuel and  at first step we compute the average reactivity in terms of temperature for first time at second step we use the obtained results of step one and calculate the total deposited energy of deuteron beam inside the target fuel at available physical condition then in  third step we introduced the dynamical balance equation of D+T mixture and solve these nonlinear  differential coupled  equations versus time .In forth step we compute the power density and energy gain under physical optimum conditions and at final step we concluded that  maximum  energy deposited  in the target from D+T and D+D reaction are equal to  to19269.39061 keV and 39198.58043 keV respectively.  


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