SU-E-T-750: Three Dimensional in Silico Study of Brachytherapy Application with In-Situ Dose-Painting Administered Via Gold-Nanoparticle Eluters

2015 ◽  
Vol 42 (6Part24) ◽  
pp. 3509-3509
Author(s):  
N Sinha ◽  
G Cifter ◽  
W Ngwa
Keyword(s):  
Gold Nanoparticle ◽  
In Silico ◽  
Three Dimensional ◽  
Dose Painting ◽  
In Silico Study

A facile method to in situ fabricate three dimensional gold nanoparticle micropatterns in a cell-resistant hydrogel

2016 ◽  
Vol 15 (2) ◽  
pp. 181-186
Author(s):  
Ming-Hao Yao ◽  
Jie Yang ◽  
Dong-Hui Zhao ◽  
Rui-Xue Xia ◽  
Rui-Mei Jin ◽  
...  
Keyword(s):  
Gold Nanoparticles ◽  
Polyethylene Glycol ◽  
Gold Nanoparticle ◽  
Three Dimensional ◽  
Photochemical Synthesis ◽  
A Cell

A facile method for in situ fabrication of three-dimensional gold nanoparticles micropatterns throughout a polyethylene glycol hydrogel substrate has been developed by combining photochemical synthesis of gold nanoparticles with photolithography technology.

scholarly journals An in silico structural insights into Plasmodium LytB protein and its inhibition

2014 ◽  
Vol 70 (a1) ◽  
pp. C1791-C1791
Author(s):  
Rajabrata Bhunya ◽  
Suman Nandy ◽  
Alpana Seal
Keyword(s):  
In Silico ◽  
3D Structure ◽  
Three Dimensional ◽  
Comparative Modeling ◽  
Binding Energies ◽  
E Coli ◽  
Dimethylallyl Diphosphate ◽  
In Silico Study ◽  
Structural Insights ◽  
Insight Into

In most of the pathogenic organisms including Plasmodium falciparum, isoprenoids are synthesized via MEP (MethylErythritol 4-Phosphate) pathway. LytB is the last enzyme of this pathway which catalyzes the conversion of (E)-4-hydroxy-3-methylbut-2-en-1-yl diphosphate (HMBPP) into the two isoprenoid precursors: isopentenyl diphosphate (IPP) and dimethylallyl diphosphate (DMAPP). Since the MEP pathway is not used by humans, it represents an attractive target for the development of new antimalarial compounds or inhibitors. Here a systematic in-silico study has been conducted to get an insight into the structure of Plasmodium lytB as well as its affinities towards different inhibitors. We used comparative modeling technique to predict the three dimensional (3D) structure of Plasmodium LytB taking E. Coli LytB protein (PDB ID: 3KE8) as template and the model was subsequently refined through molecular dynamics (MD) simulation. A large ligand dataset containing diphospate group was subjected for virtual screening against the target using GOLD 5.2 program. Considering the mode of binding and affinities, 17 leads were selected on basis of binding energies in comparison to its substrate HMBPP (Gold.Chemscore.DG: -20.9734 kcal/mol). Among them, 5 were discarded because of their inhibitory activity towards other human enzymes. The rest 12 potential leads carry all the properties of any "drug like" molecule and the knowledge of Plasmodium LytB inhibitory mechanism which can provide valuable support for the antimalarial inhibitor design in future.

scholarly journals Modeling gene expression networks to predict interchromosomal organization during human embryonic stem cell differentiation

2018 ◽  
Author(s):  
Kyle V. Laster ◽  
Arturo G. Garza-Gongora ◽  
Elizabeth Daley ◽  
Alexey Terskikh ◽  
Evangelos Kiskinis ◽  
...  
Keyword(s):  
Gene Expression ◽  
Stem Cells ◽  
In Silico ◽  
Regulatory Networks ◽  
Cellular Differentiation ◽  
Three Dimensional ◽  
Embryonic Stem ◽  
Chromosome Organization ◽  
Neuronal Precursor Cells

AbstractCellular differentiation occurs through the regulation of lineage-specific gene expression networks that are facilitated by the spatial organization of the genome. Although techniques based on the chromatin conformation capture (3C) approach have yielded intrachromosomal genome-wide interaction maps, strategies to identify non-random interchromosomal associations is lacking. Therefore, we modeled the genomic organization of chromosomes based on the regulatory networks involved in the differentiation of pluripotent human embryonic stem cells (hESCs) to committed neuronal precursor cells (cNPCs). Importantly, transcriptional regulation has been demonstrated to be a driving force in non-random genome organization. Thus, we constructed coarse-grained in silico networks using gene expression data to identify potential physical associations among chromosomes occurring in situ and then analyzed the three-dimensional (3D) distribution of these chromosomes, assessing how their associations contribute to nuclear organization. Our analysis suggests that coordinate regulation of differentially expressed genes is correlated with the 3D organization of chromosomes in hESC nuclei induced to differentiate to cNPCs.Author SummaryThe cellular commitment and differentiation of stem cells is a hallmark of metazoan development. The ultimate fate of a stem cell is defined by the synergistic modulation of key gene regulatory networks within the nucleus. In our work, we formulate an in silico model describing how the similarity in the expression profile of differentially regulated gene networks is correlated with the higher-order organization of chromosomes during differentiation from human embryonic stem cells (hESCs) to committed neuronal precursor cells (cNPCs). Using graph statistics, we observe that the genome networks generated using the in silico model exhibit properties similar to real-world networks. In addition to modeling how gene expression relates to dynamic changes in chromosome organization, we test the model by calculating the relative proximity of multiple chromosome pairs using 3D fluorescence in situ hybridization (FISH). While various chromosomal properties, including gene density and overall length, have been attributed to chromosome organization, our previous work has identified the emergence of cell-type specific chromosomal topologies related to coordinate gene regulation during cellular differentiation. Here we extend these findings by determining whether our in silico model can predict chromosome association based upon coordinate gene expression. Our work supports the idea that gene co-regulation, in addition to inherent organizational constraints of the nucleus, influences three-dimensional chromosome organization.

SU-E-T-586: Brachytherapy Application with in Situ Dose-Painting Administered Via Gold-Nanoparticle Eluters (BANDAGE) for Prostate Cancer (PCa)

2013 ◽  
Vol 40 (6Part20) ◽  
pp. 340-340
Author(s):  
N Sinha ◽  
E Sajo ◽  
H Korideck ◽  
G Makrigiorgos ◽  
W Ngwa
Keyword(s):  
Prostate Cancer ◽  
Gold Nanoparticle ◽  
Dose Painting

Simultaneous doxorubicin encapsulation and in-situ microfluidic micellization of bio-targeted polymeric nanohybrids using dichalcogenide monolayers: A molecular in-silico study

2021 ◽  
Vol 26 ◽  
pp. 101948
Author(s):  
Reza Maleki ◽  
Mohammad Khedri ◽  
Donya Malekahmadi ◽  
Seraj Mohaghegh ◽  
Ahmad Miri Jahromi ◽  
...  
Keyword(s):  
In Silico ◽  
In Silico Study

scholarly journals In situ three-dimensional imaging of strain in gold nanocrystals during catalytic oxidation

2019 ◽  
Vol 1 (8) ◽  
pp. 3009-3014 ◽  
Author(s):  
Ana Flavia Suzana ◽  
Amélie Rochet ◽  
Aline Ribeiro Passos ◽  
João Paulo Castro Zerba ◽  
Carla Cristina Polo ◽  
...  
Keyword(s):  
Catalytic Oxidation ◽  
Gold Nanoparticle ◽  
Functional Properties ◽  
Surface Deformation ◽  
Three Dimensional ◽  
Three Dimensional Imaging ◽  
Gold Nanocrystals

The formation of a nanotwin network in a gold nanoparticle correlates with its surface deformation and functional properties.

In situ gold nanoparticle-decorated three-dimensional tin dioxide nanostructures for sensitive and selective gas-sensing detection of volatile organic compounds

2017 ◽  
Vol 5 (25) ◽  
pp. 6193-6201 ◽  
Author(s):  
Tian-Li Han ◽  
Yu-Teng Wan ◽  
Jin-Jin Li ◽  
Hui-Gang Zhang ◽  
Jin-Huai Liu ◽  
...  
Keyword(s):  
Gold Nanoparticles ◽  
Volatile Organic Compounds ◽  
Gold Nanoparticle ◽  
Organic Compounds ◽  
Tin Dioxide ◽  
Gas Sensing ◽  
Three Dimensional ◽  
High Response ◽  
Volatile Organic

A three-dimensional tin dioxide nanostructure in situ-decorated with gold nanoparticles was presented, which exhibited high response and selectivity towards volatile organic compounds.

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