Theoretical Simulation of Oxygen Transport to Tumors by Three-Dimensional Networks of Microvessels

1998 ◽  
pp. 629-634 ◽  
Author(s):  
T. W. Secomb ◽  
R. Hsu ◽  
R. D. Braun ◽  
J. R. Ross ◽  
J. F. Gross ◽  
...  
Keyword(s):  
Oxygen Transport ◽  
Three Dimensional ◽  
Theoretical Simulation

Three-Dimensional Performance Model For Oxygen Transport Membranes

2013 ◽  
Vol 57 (1) ◽  
pp. 2543-2552
Author(s):  
A. Haffelin ◽  
C. Niedrig ◽  
S. Wagner ◽  
E. Ivers-Tiffee
Keyword(s):  
Oxygen Transport ◽  
Three Dimensional ◽  
Performance Model

scholarly journals Novel C7-Substituted Coumarins as Selective Monoamine Oxidase Inhibitors: Discovery, Synthesis and Theoretical Simulation

Molecules ◽  
2019 ◽  
Vol 24 (21) ◽  
pp. 4003 ◽  
Author(s):  
Dong Wang ◽  
Ren-Yuan Hong ◽  
Mengyao Guo ◽  
Yi Liu ◽  
Nianhang Chen ◽  
...  
Keyword(s):  
Monoamine Oxidase ◽  
Neurological Diseases ◽  
Three Dimensional ◽  
Structural Similarity ◽  
Dynamic Simulations ◽  
High Sequence Identity ◽  
Theoretical Simulation ◽  
Subtype Selectivity ◽  
Ic50 Values ◽  
Substituted Coumarins

There is a continued need to develop new selective human monoamine oxidase (hMAO) inhibitors that could be beneficial for the treatment of neurological diseases. However, hMAOs are closely related with high sequence identity and structural similarity, which hinders the development of selective MAO inhibitors. “Three-Dimensional Biologically Relevant Spectrum (BRS-3D)” method developed by our group has demonstrated its effectiveness in subtype selectivity studies of receptor and enzyme ligands. Here, we report a series of novel C7-substituted coumarins, either synthesized or commercially purchased, which were identified as selective hMAO inhibitors. Most of the compounds demonstrated strong activities with IC50 values (half-inhibitory concentration) ranging from sub-micromolar to nanomolar. Compounds, FR1 and SP1, were identified as the most selective hMAO-A inhibitors, with IC50 values of 1.5 nM (selectivity index (SI) < −2.82) and 19 nM (SI < −2.42), respectively. FR4 and FR5 showed the most potent hMAO-B inhibitory activity, with IC50 of 18 nM and 15 nM (SI > 2.74 and SI > 2.82). Docking calculations and molecular dynamic simulations were performed to elucidate the selectivity preference and SAR profiles.

scholarly journals Electromagnetic Wave Absorption Properties of Structural Conductive ABS Fabricated by Fused Deposition Modeling

Polymers ◽  
2020 ◽  
Vol 12 (6) ◽  
pp. 1217 ◽  
Author(s):  
Wenwen Lai ◽  
Yan Wang ◽  
Junkun He
Keyword(s):  
Electromagnetic Wave ◽  
Fused Deposition Modeling ◽  
Three Dimensional ◽  
Analysis Method ◽  
Absorption Bands ◽  
Absorption Properties ◽  
Theoretical Simulation ◽  
Fused Deposition ◽  
Deposition Modeling ◽  
Absorption Performance

To obtain excellent electromagnetic wave (EMW) absorption materials, the design of microstructures has been considered as an effective method to adjust EMW absorption performance. Owing to its inherent capability of effectively fabricating materials with complex various structures, three-dimensional (3D) printing technology has been regarded as a powerful tool to design EMW absorbers with plentiful microstructures for the adjustment of EMW absorption performance. In this work, five samples with various microstructures were prepared via fused deposition modeling (FDM). An analysis method combining theoretical simulation calculations with experimental measurements was adopted to investigate EMW absorbing properties of all samples. The wood-pile-structural sample possessed wider effective absorption bandwidth (EAB; reflection loss (RL) < − 10 dB, for over 90% microwave absorption) of 5.43 GHz and generated more absorption bands (C-band and Ku-band) as compared to the honeycomb-structural sample at the same thickness. Designing various microstructures via FDM proved to be a convenient and feasible method to fabricate absorbers with tunable EMW absorption properties, which provides a novel path for the preparation of EMW absorption materials with wider EAB and lower RL.

scholarly journals Arrays of Plasmonic Nanostructures for Absorption Enhancement in Perovskite Thin Films

Nanomaterials ◽  
2020 ◽  
Vol 10 (7) ◽  
pp. 1342 ◽  
Author(s):  
Tianyi Shen ◽  
Qiwen Tan ◽  
Zhenghong Dai ◽  
Nitin P. Padture ◽  
Domenico Pacifici
Keyword(s):  
Thin Film ◽  
Perovskite Solar Cells ◽  
Three Dimensional ◽  
Field Enhancement ◽  
Absorption Enhancement ◽  
Design Parameters ◽  
Plasmonic Nanostructures ◽  
Lead Iodide ◽  
Theoretical Simulation ◽  
Cavity Effects

We report optical characterization and theoretical simulation of plasmon enhanced methylammonium lead iodide (MAPbI 3 ) thin-film perovskite solar cells. Specifically, various nanohole (NH) and nanodisk (ND) arrays are fabricated on gold/MAPbI 3 interfaces. Significant absorption enhancement is observed experimentally in 75 nm and 110 nm-thick perovskite films. As a result of increased light scattering by plasmonic concentrators, the original Fabry–Pérot thin-film cavity effects are suppressed in specific structures. However, thanks to field enhancement caused by plasmonic resonances and in-plane interference of propagating surface plasmon polaritons, the calculated overall power conversion efficiency (PCE) of the solar cell is expected to increase by up to 45.5%, compared to its flat counterpart. The role of different geometry parameters of the nanostructure arrays is further investigated using three dimensional (3D) finite-difference time-domain (FDTD) simulations, which makes it possible to identify the physical origin of the absorption enhancement as a function of wavelength and design parameters. These findings demonstrate the potential of plasmonic nanostructures in further enhancing the performance of photovoltaic devices based on thin-film perovskites.

scholarly journals Myriapod haemocyanin: the first three-dimensional reconstruction of Scolopendra subspinipes and preliminary structural analysis of S. viridicornis

Open Biology ◽  
2020 ◽  
Vol 10 (4) ◽  
pp. 190258
Author(s):  
K. C. T. Riciluca ◽  
A. C. Borges ◽  
J. F. R. Mello ◽  
U. C. de Oliveira ◽  
D. C. Serdan ◽  
...  
Keyword(s):  
Structural Analysis ◽  
Signal Peptide ◽  
Oxygen Transport ◽  
Three Dimensional ◽  
Size Exclusion ◽  
Tem Analysis ◽  
Arthropod Species ◽  
Dimensional Reconstruction ◽  
Exclusion Chromatography ◽  
Respiratory Proteins

Haemocyanins (Hcs) are copper-containing, respiratory proteins that occur in the haemolymph of many arthropod species. Here, we report the presence of Hcs in the chilopode Myriapoda, demonstrating that these proteins are more widespread among the Arthropoda than previously thought. The analysis of transcriptome of S. subspinipes subpinipes reveals the presence of two distinct subunits of Hc, where the signal peptide is present, and six of prophenoloxidase (PPO), where the signal peptide is absent, in the 75 kDa range. Size exclusion chromatography profiles indicate different quaternary organization for Hc of both species, which was corroborated by TEM analysis: S. viridicornis Hc is a 6 × 6-mer and S. subspinipes Hc is a 3 × 6-mer, which resembles the half-structure of the 6 × 6-mer but also includes the presence of phenoloxidases, since the 1 × 6-mer quaternary organization is commonly associated with hexamers of PPO. Studies with Chelicerata showed that PPO activity are exclusively associated with the Hcs. This study indicates that Scolopendra may have different proteins playing oxygen transport (Hc) and PO function, both following the hexameric oligomerization observed in Hcs.

COMPUTATIONAL STUDY OF THE INFLUENCE OF BIFURCATION ANGLE ON HAEMODYNAMICS AND OXYGEN TRANSPORT IN THE CAROTID BIFURCATION

2019 ◽  
Vol 31 (03) ◽  
pp. 1950024 ◽  
Author(s):  
Shigeru Tada
Keyword(s):  
Blood Flow ◽  
Oxygen Transport ◽  
Computational Study ◽  
Three Dimensional ◽  
Atherosclerotic Lesion ◽  
Axial Flow ◽  
Carotid Bifurcation ◽  
Outer Wall ◽  
Flow Recirculation ◽  
Bifurcation Angle

In this study, blood flow associated with oxygen transport in the human carotid bifurcation was investigated numerically to assess the effects of bifurcation geometry on distribution and magnitude of the wall shear stress (WSS) and Sherwood number (Sh: dimensionless oxygen wall flux) at the favourable site of atherosclerotic lesion. Three-dimensional average models of the rigid-walled carotid bifurcation were constructed to perform simulations of steady blood flow under the wall boundary condition of a constant oxygen tension. The results demonstrated that changes in the bifurcation angle significantly altered the distribution of both the WSS and the Sh, even though the pattern of the axial flow was not very sensitive to the change in bifurcation angle. Flow with large inertia bifurcated at the flow divider and created a flow recirculation zone with low WSS and Sh on the outer wall of the internal carotid artery (ICA) sinus, where atherosclerotic lesions tend to develop. A wider bifurcation angle made the area of low Sh in the ICA sinus smaller, but the level of Sh along the outer wall of the ICA sinus extremely low. Another finding was that low Sh was associated with high WSS at the region distal to the ICA sinus. The Sh distribution did not readjust as fast as the WSS in this region, as reflected by the different rates of recovery of the WSS and Sh, thus uncoupling the transport process of oxygen transport from WSS.

Yhe Compression Meso-Mechanics Theoretical Model and Experimental Verification of Polyurethane-Based Warp-Knit Spacer Fabric Composites

2021 ◽  
Vol 8 (5) ◽  
pp. 30-38
Author(s):  
Si Chen
Keyword(s):  
Theoretical Model ◽  
Structural Parameters ◽  
Three Dimensional ◽  
Beam Theory ◽  
Theoretical Research ◽  
Dimensional Structure ◽  
Static Compression ◽  
Theoretical Simulation ◽  
Winkler Elastic Foundation ◽  
Spacer Fabric

In this research, a new type of binary material, a polyurethane-based warp-knitted spacer fabric composite (PWSF), having a unique three-dimensional structure, high strength, and a variety of surface structures was prepared. The compression meso-mechanics theoretical model based on the Winkler elastic foundation beam theory and structural parameters of PWSF were used to predict the compression performance of PWSF. To verify the validity of compression model, the compression stress-strain curves of theoretical simulation were compared with the quasi-static compression test results. The deviation between these two compression moduli was less than 7%. The compression meso-mechanics model established in this study can effectively simulate the actual compression behaviors for different PWSF specimens. A regular pattern of compression properties of this novel composite from the theoretical research on meso-mechanics perspectives can be proposed.

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