Effect of transverse and radial deformations on nonlinear frequencies of annular plates: perturbation approach

2021 ◽  
pp. 1-12
Author(s):  
Reza Valizadeh ◽  
Hamidreza Eipakchi
Keyword(s):  
Perturbation Approach ◽  
Annular Plates

A Free Energy Perturbation Approach to Estimate the Intrinsic Solubilities of Drug-like Small Molecules

2019 ◽  
Author(s):  
Sayan Mondal ◽  
Gary Tresadern ◽  
Jeremy Greenwood ◽  
Byungchan Kim ◽  
Joe Kaus ◽  
...  
Keyword(s):  
Solid State ◽  
Small Molecules ◽  
Three Dimensional ◽  
Aqueous Solubility ◽  
Computational Approach ◽  
Free Energy Perturbation ◽  
Perturbation Approach ◽  
Energy Perturbation ◽  
State Form ◽  
Good Agreement

<p>Optimizing the solubility of small molecules is important in a wide variety of contexts, including in drug discovery where the optimization of aqueous solubility is often crucial to achieve oral bioavailability. In such a context, solubility optimization cannot be successfully pursued by indiscriminate increases in polarity, which would likely reduce permeability and potency. Moreover, increasing polarity may not even improve solubility itself in many cases, if it stabilizes the solid-state form. Here we present a novel physics-based approach to predict the solubility of small molecules, that takes into account three-dimensional solid-state characteristics in addition to polarity. The calculated solubilities are in good agreement with experimental solubilities taken both from the literature as well as from several active pharmaceutical discovery projects. This computational approach enables strategies to optimize solubility by disrupting the three-dimensional solid-state packing of novel chemical matter, illustrated here for an active medicinal chemistry campaign.</p>

Combination Internal Resonances in Heated Annular Plates

2004 ◽  
Vol 37 (4) ◽  
pp. 285-306 ◽  
Author(s):  
Haider N. Arafat ◽  
Ali H. Nayfeh
Keyword(s):  
Internal Resonances ◽  
Annular Plates

On the asymmetric thermal stability of FGM annular plates reinforced with graphene nanoplatelets

2021 ◽  
Author(s):  
Jie Zheng ◽  
Chunwei Zhang ◽  
Afrasyab Khan ◽  
Tamer A. Sebaey ◽  
Naeim Farouk
Keyword(s):  
Thermal Stability ◽  
Graphene Nanoplatelets ◽  
Annular Plates ◽  
Thermal Stability Of
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