scholarly journals 3D visualization and printing of molecular surfaces

2019 ◽  
Vol 75 (a2) ◽  
pp. e365-e365
Author(s):  
Christian Hübschle
Author(s):  
Denny Yu ◽  
Michael Sackllah ◽  
Charles Woolley ◽  
Steven Kasten ◽  
Thomas J. Armstrong
Keyword(s):  

2016 ◽  
Author(s):  
Jongho Kim ◽  
Yeayoung Noh ◽  
Yoonji Ryu ◽  
Carolyn Yoonhee Park ◽  
Choong Hoon Lim ◽  
...  
Keyword(s):  

2008 ◽  
Author(s):  
Parvez Jamil Butt ◽  
Raza Hassan Sayed ◽  
Timothy George Day ◽  
Abdallah Mohammad Behair ◽  
Saleh M. Dossari

2019 ◽  
Author(s):  
Mahendra Awale ◽  
Finton Sirockin ◽  
Nikolaus Stiefl ◽  
Jean-Louis Reymond

<div>The generated database GDB17 enumerates 166.4 billion possible molecules up to 17 atoms of C, N, O, S and halogens following simple chemical stability and synthetic feasibility rules, however medicinal chemistry criteria are not taken into account. Here we applied rules inspired by medicinal chemistry to exclude problematic functional groups and complex molecules from GDB17, and sampled the resulting subset evenly across molecular size, stereochemistry and polarity to form GDBMedChem as a compact collection of 10 million small molecules.</div><div><br></div><div>This collection has reduced complexity and better synthetic accessibility than the entire GDB17 but retains higher sp 3 - carbon fraction and natural product likeness scores compared to known drugs. GDBMedChem molecules are more diverse and very different from known molecules in terms of substructures and represent an unprecedented source of diversity for drug design. GDBMedChem is available for 3D-visualization, similarity searching and for download at http://gdb.unibe.ch.</div>


Author(s):  
Wenbing Yun ◽  
Steve Wang ◽  
David Scott ◽  
Kenneth W. Nill ◽  
Waleed S. Haddad

Abstract A high-resolution table-sized x-ray nanotomography (XRMT) tool has been constructed that shows the promise of nondestructively imaging the internal structure of a full IC stack with a spatial resolution better than 100 nm. Such a tool can be used to detect, localize, and characterize buried defects in the IC. By collecting a set of X-ray projections through the full IC (which may include tens of micrometers of silicon substrate and several layers of Cu interconnects) and applying tomographic reconstruction algorithms to these projections, a 3D volumetric reconstruction can be obtained, and analyzed for defects using 3D visualization software. XRMT is a powerful technique that will find use in failure analysis and IC process development, and may facilitate or supplant investigations using SEM, TEM, and FIB tools, which generally require destructive sample preparation and a vacuum environment.


2020 ◽  
pp. 1-5
Author(s):  
Usman Khan ◽  
Usman Khan ◽  
AmanUllah Yasin ◽  
Imran Shafi ◽  
Muhammad Abid

In this work GPU implementation of classic 3D visualization algorithms namely Marching Cubes and Raycasting has been carried for cervical vertebra using VTK libraries. A proposed framework has been introduced for efficient and duly calibrated 3D reconstruction using Dicom Affine transform and Python Mayavi framework to address the limitation of benchmark visualization techniques i.e. lack of calibration, surface reconstruction artifacts and latency.


2005 ◽  
Vol 25 (Supplement1) ◽  
pp. 241-242
Author(s):  
Hideo MIYACHI ◽  
Taiki TANIMAE ◽  
Takehiro MATSUO ◽  
Nobuyuki OSHIMA

Author(s):  
S Farahani ◽  
N Riyahi Alam ◽  
S Haghgoo ◽  
M Khoobi ◽  
Gh Geraily ◽  
...  

Background: Numerous unique characteristics of the nanosized gold, including high atomic number, low toxicity, and high biocompatibility make it one of the most appropriate nanostructures to boost radiotherapy efficacy. Many in-vivo and in-vitro investigations have indicated that gold nanoparticles (AuNPs) can significantly increase tumor injuries in low kilovoltage radiotherapy. While deep-lying tumors require much higher energy levels with greater penetration power, and investigations carried out in megavoltage energy range show contradictory results.Objective: In this study, we quantitatively assess and compare dose enhancement factors (DEFs) obtained through AuNPs under radiation of Cobalt-60 source (1.25MeV) versus Iridium-192 source (0.380 KeV) using MAGAT gel dosimeter.Material and Methods: MAGAT polymer gel in both pure and combined with 0.2 mM AuNPs was synthesized. In order to quantify the effect of energy on DEF, irradiation was carried out by Co-60 external radiotherapy and Ir-192 internal radiotherapy. Finally, readings of irradiated and non-irradiated gels were performed by MR imaging.Result: The radiation-induced R2 (1/T2) changes of the gel tubes doped with AuNPs compared to control samples, upon irradiation of beams released by Ir-192 source showed a significant dose enhancement (15.31% ±0.30) relative to the Co-60 external radiotherapy (5.85% ±0.14).Conclusion: This preliminary study suggests the feasibility of using AuNPs in radiation therapy (RT), especially in low-energy sources of brachytherapy. In addition, MAGAT polymer gel, as a powerful dosimeter, could be used for 3D visualization of radiation dose distribution of AuNPs in radiotherapy.


Sign in / Sign up

Export Citation Format

Share Document