Major accident regulations aim at protecting the population and the environment from possible accidental releases of chemicals. To achieve this goal, the regulations need to be reassessed in light of the development of new technologies. A currently rapidly growing new technology is nanotechnology, and ...
To this end, we tested the following descriptors: molecular weight (MW), hydrophobicity (AlogP), proportion of aromatic atoms (aromatic ratio), and the 4 shape descriptors cited above: globularity (glob), CW2, IW4, and EDmin3. To measure the levels of specificity of those descriptors with ...
Polymeric beads might interact with monomeric or oligomeric SOD1 species to a degree that non-polymeric beads do not, and these interactions might be dependent upon surface properties (roughness and hydrophobicity) of each bead. To begin to test these hypotheses, we examined how much protein was ...
The protein solutions were mixed at 6 °C in tubes made of each of these 4 materials attached to a rotating wheel to monitor the protein loss as a function of the mechanical energy and power per solution mass. The enhanced gravitationally driven agitation was chosen to quantify the amount of...
To interpret our model, we further analyze the random forest regression results using SHAP (Shapley Additive exPlanations)35, a generalized metric for feature importance, which utilizes the game-theory-based Shapley values to calculate the contribution of each feature to the model’s output. SHAP in...
To calculate Te, the first step was to establish a calibration equation (using the earlier gamma-identity GLM) between plot B and plot A in the NT phase: 𝑄NTobs B=𝑎×𝑄NTobs A+𝑏Qobs BNT=a×Qobs ANT+b (1) where 𝑄NTobs BQobs BNT and 𝑄NTobs AQobs ANT are event...
Furthermore, through the HRR curve generated by cone calorimetry is possible to calculate the slope of the FIGRA (fire-growth rate) line, extending from the origin to the earliest, highest peak, providing an estimation of both the spread rate and the size of the fire, thus estimating the co...
In addition to the electrostatic interactions, these charges are also used to calculate the desolvation energy. Finally, the number of the rotatable bonds is also directly accounted for as a simple measure of entropy loss upon binding. 𝑉=𝑤𝑣𝑑𝑊∑𝑖,𝑗 ⎜⎜⎜𝐴𝑖...
Lastly, the Dustmate (Turnkey, Newcastle, UK) instrument was used to measure the particulate concentration of the tunnel air. The formula used to calculate the adsorptive amount of the particulate matter per unit of leaf area of different tree species is as follows: 𝑀𝑖=∑1𝑛𝑚𝑖...