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1.
Angew Chem Int Ed Engl ; 61(11): e202116603, 2022 Mar 07.
Artigo em Inglês | MEDLINE | ID: mdl-35020259

RESUMO

Conventional square-planar platinum complexes typically form one-dimensional assemblies as a result of unidirectional metallophilic and/or π⋅⋅⋅π intermolecular interactions. Organoplatinum(II) complexes with a cruciform shape are presented herein to construct two-dimensional (2D) microcrystals with full-color and white phosphorescence. These 2D crystals show unique monocomponent π⋅⋅⋅π stacking, from either the cyclometalating or noncyclometalating ligand, and the bicomponent alternate π⋅⋅⋅π stacking from both ligands along different facet directions. Anisotropic tri-directional waveguiding is further implemented on a single hexagonal microcrystal. These results demonstrate the great capability of the organoplatinum(II) cruciform as a general platform to fabricate 2D phosphorescent micro-/nanocrystals for advanced photonic applications.

2.
J Synchrotron Radiat ; 23(1): 244-52, 2016 Jan.
Artigo em Inglês | MEDLINE | ID: mdl-26698070

RESUMO

The first results of multiple scattering simulations of polarized high-energy X-rays for Compton experiments using a new Monte Carlo program, MUSCAT, are presented. The program is developed to follow the restrictions of real experimental geometries. The new simulation algorithm uses not only well known photon splitting and interaction forcing methods but it is also upgraded with the new propagation separation method and highly vectorized. In this paper, a detailed description of the new simulation algorithm is given. The code is verified by comparison with the previous experimental and simulation results by the ESRF group and new restricted geometry experiments carried out at SPring-8.

3.
Plant Cell Environ ; 39(1): 50-61, 2016 Jan.
Artigo em Inglês | MEDLINE | ID: mdl-26082079

RESUMO

We present a combined three-dimensional (3-D) model of light propagation, CO2 diffusion and photosynthesis in tomato (Solanum lycopersicum L.) leaves. The model incorporates a geometrical representation of the actual leaf microstructure that we obtained with synchrotron radiation X-ray laminography, and was evaluated using measurements of gas exchange and leaf optical properties. The combination of the 3-D microstructure of leaf tissue and chloroplast movement induced by changes in light intensity affects the simulated CO2 transport within the leaf. The model predicts extensive reassimilation of CO2 produced by respiration and photorespiration. Simulations also suggest that carbonic anhydrase could enhance photosynthesis at low CO2 levels but had little impact on photosynthesis at high CO2 levels. The model confirms that scaling of photosynthetic capacity with absorbed light would improve efficiency of CO2 fixation in the leaf, especially at low light intensity.


Assuntos
Dióxido de Carbono/metabolismo , Modelos Biológicos , Solanum lycopersicum/metabolismo , Respiração Celular/efeitos da radiação , Clorofila/metabolismo , Simulação por Computador , Difusão , Fluorescência , Luz , Solanum lycopersicum/efeitos da radiação , Fotossíntese/efeitos da radiação , Folhas de Planta/metabolismo , Folhas de Planta/efeitos da radiação , Transpiração Vegetal/efeitos da radiação
4.
J Synchrotron Radiat ; 22(3): 565-70, 2015 May.
Artigo em Inglês | MEDLINE | ID: mdl-25931069

RESUMO

The Photon Analysis Delivery and REduction System of FERMI (PADReS) has been routinely used during the machine commissioning and operations of FERMI since 2011. It has also served the needs of several user runs at the facility from late 2012. The system is endowed with online and shot-to-shot diagnostics giving information about intensity, spatial-angular distribution, spectral content, as well as other diagnostics to determine coherence, pulse length etc. Moreover, PADReS is capable of manipulating the beam in terms of intensity and optical parameters. Regarding the optics, besides a standard refocusing system based on an ellipsoidal mirror, the Kirkpatrick-Baez active optics systems are key elements and have been used intensively to meet users' requirements. A general description of the system is given, together with some selected results from the commissioning/operations/user beam time.

5.
J Synchrotron Radiat ; 22(3): 538-43, 2015 May.
Artigo em Inglês | MEDLINE | ID: mdl-25931066

RESUMO

The Low Density Matter (LDM) beamline has been built as part of the FERMI free-electron laser (FEL) facility to serve the atomic, molecular and cluster physics community. After the commissioning phase, it received the first external users at the end of 2012. The design and characterization of the LDM photon transport system is described, detailing the optical components of the beamline.

6.
Med Phys ; 2024 Jul 18.
Artigo em Inglês | MEDLINE | ID: mdl-39023181

RESUMO

BACKGROUND: The Monte Carlo (MC) method is an accurate technique for particle transport calculation due to the precise modeling of physical interactions. Nevertheless, the MC method still suffers from the problem of expensive computational cost, even with graphics processing unit (GPU) acceleration. Our previous works have investigated the acceleration strategies of photon transport simulation for single-energy CT. But for multi-energy CT, conventional individual simulation leads to unnecessary redundant calculation, consuming more time. PURPOSE: This work proposes a novel GPU-based shared MC scheme (gSMC) to reduce unnecessary repeated simulations of similar photons between different spectra, thereby enhancing the efficiency of scatter estimation in multi-energy x-ray exposures. METHODS: The shared MC method selects shared photons between different spectra using two strategies. Specifically, we introduce spectral region classification strategy to select photons with the same initial energy from different spectra, thus generating energy-shared photon groups. Subsequently, the multi-directional sampling strategy is utilized to select energy-and-direction-shared photons, which have the same initial direction, from energy-shared photon groups. Energy-and-direction-shared photons perform shared simulations, while others are simulated individually. Finally, all results are integrated to obtain scatter distribution estimations for different spectral cases. RESULTS: The efficiency and accuracy of the proposed gSMC are evaluated on the digital phantom and clinical case. The experimental results demonstrate that gSMC can speed up the simulation in the digital case by ∼37.8% and the one in the clinical case by ∼20.6%, while keeping the differences in total scatter results within 0.09%, compared to the conventional MC package, which performs an individual simulation. CONCLUSIONS: The proposed GPU-based shared MC simulation method can achieve fast photon transport calculation for multi-energy x-ray exposures.

7.
Appl Radiat Isot ; 206: 111193, 2024 Apr.
Artigo em Inglês | MEDLINE | ID: mdl-38412773

RESUMO

Total, whole-atom, individual and integrated Compton scattering cross sections and Compton energy absorption scattering cross sections are evaluated for light elements, such as, H, C, N, O, P, and Ca, with relativistic impulse approximation methods. Most of the phantom materials composed of these elements, which are the basic constituents of biological soft-tissue and attenuation through them, provides potential source of information. Compton scattering cross-sections for few biological materials, such as, H2O, C2H4, C8H8, C5H8O2, C6H11NO, C16H14O3, C55H102O6, [Ca3(PO4)]3Ca (OH)2 of medical interest, have been evaluated with the use of double differential scattering cross-section based on impulse approximation. Utilized these values to evaluate the Compton energy absorption cross sections and Compton component of mass energy absorption coefficients (cm2/g) in the energy region from 0.005 to 10 MeV. The derived results are compared with the theoretical tabulations.

8.
IEEE Trans Radiat Plasma Med Sci ; 7(3): 233-240, 2023 Mar.
Artigo em Inglês | MEDLINE | ID: mdl-36994147

RESUMO

Cherenkov light can improve the timing resolution of Positron Emission Tomography (PET) radiation detectors, thanks to its prompt emission. Coincidence time resolutions (CTR) of ~30 ps were recently reported when using 3.2 mm-thick Cherenkov emitters. However, sufficient detection efficiency requires thicker crystals, causing the timing resolution to be degraded by the optical propagation inside the crystal. We report on depth-of-interaction (DOI) correction to mitigate the time-jitter due to the photon time spread in Cherenkov-based radiation detectors. We simulated the Cherenkov and scintillation light generation and propagation in 3 × 3 mm2 lead fluoride, lutetium oxyorthosilicate, bismuth germanate, thallium chloride, and thallium bromide. Crystal thicknesses varied from 9 to 18 mm with a 3-mm step. A DOI-based time correction showed a 2-to-2.5-fold reduction of the photon time spread across all materials and thicknesses. Results showed that highly refractive crystals, though producing more Cherenkov photons, were limited by an experimentally obtained high-cutoff wavelength and refractive index, restricting the propagation and extraction of Cherenkov photons mainly emitted at shorter wavelengths. Correcting the detection time using DOI information shows a high potential to mitigate the photon time spread. These simulations highlight the complexity of Cherenkov-based detectors and the competing factors in improving timing resolution.

9.
Int J Numer Method Biomed Eng ; 39(11): e3760, 2023 Nov.
Artigo em Inglês | MEDLINE | ID: mdl-37496300

RESUMO

Dose calculation plays a critical role in radiotherapy (RT) treatment planning, and there is a growing need to develop accurate dose deposition models that incorporate heterogeneous tumour properties. Deterministic models have demonstrated their capability in this regard, making them the focus of recent treatment planning studies as they serve as a basis for simplified models in RT treatment planning. In this study, we present a simplified deterministic model for photon transport based on the Boltzmann transport equation (BTE) as a proof-of-concept to illustrate the impact of heterogeneous tumour properties on RT treatment planning. We employ the finite element method (FEM) to simulate the photon flux and dose deposition in real cases of diffuse intrinsic pontine glioma (DIPG) and neuroblastoma (NB) tumours. Importantly, in light of the availability of pipelines capable of extracting tumour properties from magnetic resonance imaging (MRI) data, we highlight the significance of such data. Specifically, we utilise cellularity data extracted from DIPG and NB MRI images to demonstrate the importance of heterogeneity in dose calculation. Our model simplifies the process of simulating a RT treatment system and can serve as a useful starting point for further research. To simulate a full RT treatment system, one would need a comprehensive model that couples the transport of electrons and photons.


Assuntos
Neoplasias , Planejamento da Radioterapia Assistida por Computador , Humanos , Planejamento da Radioterapia Assistida por Computador/métodos , Neoplasias/radioterapia , Fótons/uso terapêutico
10.
Appl Radiat Isot ; 190: 110465, 2022 Dec.
Artigo em Inglês | MEDLINE | ID: mdl-36215805

RESUMO

The quick and accurate neutron and photon transport calculations are desired in the optimization calculations for the neutron source design, and in the present work, we establish the deterministic neutron and photon transport calculation procedure with the nuclear reactor physics calculation code system CBZ. Numerical calculation conditions are carefully chosen, and the efficient and practical condition is determined. Test calculations are carried out for the simple cylindrical systems with various kinds of neutron moderators, and the results are compared with the reference solutions obtained by the continuous-energy Monte Carlo code PHITS. Generally good agreements are obtained for all the benchmark problems. In addition, another problem with the detailed geometry for the neutron source is prepared. In this realistic problem also, good agreement is obtained between CBZ and PHITS. These results demonstrate the high accuracy of CBZ in the application to the design optimization calculations for the neutron source.


Assuntos
Terapia por Captura de Nêutron de Boro , Terapia por Captura de Nêutron de Boro/métodos , Benchmarking , Método de Monte Carlo , Nêutrons , Imagens de Fantasmas
11.
J Biomed Opt ; 27(8)2022 05.
Artigo em Inglês | MEDLINE | ID: mdl-35614533

RESUMO

SIGNIFICANCE: The Monte Carlo (MC) method is widely used as the gold-standard for modeling light propagation inside turbid media, such as human tissues, but combating its inherent stochastic noise requires one to simulate a large number photons, resulting in high computational burdens. AIM: We aim to develop an effective image denoising technique using deep learning (DL) to dramatically improve the low-photon MC simulation result quality, equivalently bringing further acceleration to the MC method. APPROACH: We developed a cascade-network combining DnCNN with UNet, while extending a range of established image denoising neural-network architectures, including DnCNN, UNet, DRUNet, and deep residual-learning for denoising MC renderings (ResMCNet), in handling three-dimensional MC data and compared their performances against model-based denoising algorithms. We also developed a simple yet effective approach to creating synthetic datasets that can be used to train DL-based MC denoisers. RESULTS: Overall, DL-based image denoising algorithms exhibit significantly higher image quality improvements over traditional model-based denoising algorithms. Among the tested DL denoisers, our cascade network yields a 14 to 19 dB improvement in signal-to-noise ratio, which is equivalent to simulating 25 × to 78 × more photons. Other DL-based methods yielded similar results, with our method performing noticeably better with low-photon inputs and ResMCNet along with DRUNet performing better with high-photon inputs. Our cascade network achieved the highest quality when denoising complex domains, including brain and mouse atlases. CONCLUSIONS: Incorporating state-of-the-art DL denoising techniques can equivalently reduce the computation time of MC simulations by one to two orders of magnitude. Our open-source MC denoising codes and data can be freely accessed at http://mcx.space/.


Assuntos
Aprendizado Profundo , Fótons , Algoritmos , Animais , Processamento de Imagem Assistida por Computador/métodos , Camundongos , Método de Monte Carlo , Redes Neurais de Computação , Razão Sinal-Ruído
12.
J Biomed Opt ; 25(2): 1-13, 2020 02.
Artigo em Inglês | MEDLINE | ID: mdl-32100491

RESUMO

SIGNIFICANCE: Monte Carlo (MC) light transport simulations are most often performed in regularly spaced three-dimensional voxels, a type of data representation that naturally struggles to represent boundary surfaces with curvature and oblique angles. Not accounting properly for such boundaries with an index of refractivity, mismatches can lead to important inaccuracies, not only in the calculated angles of reflection and transmission but also in the amount of light that transmits through or reflects from these mismatched boundary surfaces. AIM: A new MC light transport algorithm is introduced to deal with curvature and oblique angles of incidence when simulated photons encounter mismatched boundary surfaces. APPROACH: The core of the proposed algorithm applies the efficient preprocessing step of calculating a gradient map of the mismatched boundaries, a smoothing step on this calculated 3D vector field to remove surface roughness due to discretization and an interpolation scheme to improve the handling of curvature. RESULTS: Through simulations of light hitting the side of a sphere and going through a lens, the agreement of this approach with analytical solutions is shown to be strong. CONCLUSIONS: The MC method introduced here has the advantage of requiring only slight implementation changes from the current state-of-the-art to accurately simulate mismatched boundaries and readily exploit the acceleration of general-purpose graphics processing units. A code implementation, mcxyzn, is made available and maintained at https://omlc.org/software/mc/mcxyzn/.


Assuntos
Simulação por Computador , Método de Monte Carlo , Imagens de Fantasmas , Fótons , Algoritmos , Processamento de Sinais Assistido por Computador
13.
Materials (Basel) ; 13(11)2020 Jun 09.
Artigo em Inglês | MEDLINE | ID: mdl-32526870

RESUMO

This article introduces an innovative approach to the investigation of the conductive-radiative heat transfer mechanism in expanded polystyrene (EPS) thermal insulation at negligible convection. Closed-cell EPS foam (bulk density 14-17 kg·m-3) in the form of panels (of thickness 0.02-0.18 m) was tested with 1-15 µm graphite microparticles (GMP) at two different industrial concentrations (up to 4.3% of the EPS mass). A heat flow meter (HFM) was found to be precise enough to observe all thermal effects under study: the dependence of the total thermal conductivity on thickness, density, and GMP content, as well as the thermal resistance relative gain. An alternative explanation of the total thermal conductivity "thickness effect" is proposed. The conductive-radiative components of the total thermal conductivity were separated, by comparing measured (with and without Al-foil) and simulated (i.e., calculated based on data reported in the literature) results. This helps to elucidate why a small addition of GMP (below 4.3%) forces such an evident drop in total thermal conductivity, down to 0.03 W·m-1·K-1. As proposed, a physical cause is related to the change in mechanism of the heat transfer by conduction and radiation. The main accomplishment is discovering that the change forced by GMP in the polymer matrix thermal conduction may dominate the radiation change. Hence, the matrix conduction component change is considered to be the major cause of the observed drop in total thermal conductivity of EPS insulation. At the microscopic level of the molecules or chains (e.g., in polymers), significant differences observed in the intensity of Raman spectra and in the glass transition temperature increase on differential scanning calorimetry(DSC) thermograms, when comparing EPS foam with and without GMP, complementarily support the above statement. An additional practical achievement is finding the maximum thickness at which one may reduce the "grey" EPS insulating layer, with respect to "dotted" EPS at a required level of thermal resistance. In the case of the thickest (0.30 m) panels for a passive building, above 18% of thickness reduction is found to be possible.

14.
J Biophotonics ; 13(10): e202000108, 2020 10.
Artigo em Inglês | MEDLINE | ID: mdl-32558341

RESUMO

In vitro wound models are useful for research on wound re-epithelialization. Hyperspectral imaging represents a non-destructive alternative to histology analysis for detection of re-epithelialization. This study aims to characterize the main optical behavior of a wound model in order to enable development of detection algorithms. K-Means clustering and agglomerative analysis were used to group spatial regions based on the spectral behavior, and an inverse photon transport model was used to explain differences in optical properties. Six samples of the wound model were prepared from human tissue and followed over 22 days. Re-epithelialization occurred at a mean rate of 0.24 mm2 /day after day 8 to 10. Suppression of wound spectral features was the main feature characterizing re-epithelialized and intact tissue. Modeling the photon transport through a diffuse layer placed on top of wound tissue properties reproduced the spectral behavior. The missing top layer represented by wounds is thus optically detectable using hyperspectral imaging.


Assuntos
Reepitelização , Cicatrização , Humanos , Modelos Biológicos
15.
J Biomed Opt ; 24(2): 1-4, 2019 02.
Artigo em Inglês | MEDLINE | ID: mdl-30788914

RESUMO

The mesh-based Monte Carlo (MMC) method is an efficient algorithm to model light propagation inside tissues with complex boundaries, but choosing appropriate mesh density can be challenging. A fine mesh improves the spatial resolution of the output but requires more computation. We propose an improved MMC-dual-grid mesh-based Monte Carlo (DMMC)-to accelerate photon simulations using a coarsely tessellated tetrahedral mesh for ray-tracing computation and an independent voxelated grid for output data storage. The decoupling between ray-tracing and data storage grids allows us to simultaneously achieve faster simulations and improved output spatial accuracy. Furthermore, we developed an optimized ray-tracing technique to eliminate unnecessary ray-tetrahedron intersection tests in optically thick mesh elements. We validate the proposed algorithms using a complex heterogeneous domain and compare the solutions with those from MMC and voxel-based Monte Carlo. We found that DMMC with an unrefined constrained Delaunay tessellation of the boundary nodes yielded the highest speedup, ranging from 1.3 × to 2.9 × for various scattering settings, with nearly no loss in accuracy. In addition, the optimized ray-tracing technique offers excellent acceleration in high-scattering media, reducing the ray-tetrahedron test count by over 100-fold. Our DMMC software can be downloaded at http://mcx.space/mmc.


Assuntos
Processamento de Imagem Assistida por Computador/métodos , Método de Monte Carlo , Imagens de Fantasmas , Fótons , Algoritmos , Anisotropia , Simulação por Computador , Imageamento Tridimensional , Modelos Teóricos , Espalhamento de Radiação , Software , Processos Estocásticos
16.
J Biomed Opt ; 23(1): 1-4, 2018 01.
Artigo em Inglês | MEDLINE | ID: mdl-29374404

RESUMO

We present a highly scalable Monte Carlo (MC) three-dimensional photon transport simulation platform designed for heterogeneous computing systems. Through the development of a massively parallel MC algorithm using the Open Computing Language framework, this research extends our existing graphics processing unit (GPU)-accelerated MC technique to a highly scalable vendor-independent heterogeneous computing environment, achieving significantly improved performance and software portability. A number of parallel computing techniques are investigated to achieve portable performance over a wide range of computing hardware. Furthermore, multiple thread-level and device-level load-balancing strategies are developed to obtain efficient simulations using multiple central processing units and GPUs.


Assuntos
Simulação por Computador , Método de Monte Carlo , Fótons , Gráficos por Computador , Imageamento Tridimensional , Software
17.
Comput Methods Programs Biomed ; 118(2): 234-41, 2015 Feb.
Artigo em Inglês | MEDLINE | ID: mdl-25488656

RESUMO

The Monte Carlo method for photon transport is often used to predict the volumetric heating that an optical source will induce inside a tissue or material. This method relies on constant (with respect to temperature) optical properties, specifically the coefficients of scattering and absorption. In reality, optical coefficients are typically temperature-dependent, leading to error in simulation results. The purpose of this study is to develop a method that can incorporate variable properties and accurately simulate systems where the temperature will greatly vary, such as in the case of laser-thawing of frozen tissues. A numerical simulation was developed that utilizes the Monte Carlo method for photon transport to simulate the thermal response of a system that allows temperature-dependent optical and thermal properties. This was done by combining traditional Monte Carlo photon transport with a heat transfer simulation to provide a feedback loop that selects local properties based on current temperatures, for each moment in time. Additionally, photon steps are segmented to accurately obtain path lengths within a homogenous (but not isothermal) material. Validation of the simulation was done using comparisons to established Monte Carlo simulations using constant properties, and a comparison to the Beer-Lambert law for temperature-variable properties. The simulation is able to accurately predict the thermal response of a system whose properties can vary with temperature. The difference in results between variable-property and constant property methods for the representative system of laser-heated silicon can become larger than 100K. This simulation will return more accurate results of optical irradiation absorption in a material which undergoes a large change in temperature. This increased accuracy in simulated results leads to better thermal predictions in living tissues and can provide enhanced planning and improved experimental and procedural outcomes.


Assuntos
Temperatura Alta , Método de Monte Carlo , Óptica e Fotônica , Fótons
18.
Proc SPIE Int Soc Opt Eng ; 85682013 Feb 02.
Artigo em Inglês | MEDLINE | ID: mdl-25999640

RESUMO

A thorough understanding of light distribution in the desired tissue is necessary for accurate light dosimetry in PDT. Solving the problem of light dose depends, in part, on the geometry of the tissue to be treated. When considering PDT in the thoracic cavity for treatment of malignant, localized tumors such as those observed in malignant pleural mesothelioma (MPM), changes in light dose caused by the cavity geometry should be accounted for in order to improve treatment efficacy. Cavity-like geometries demonstrate what is known as the "integrating sphere effect" where multiple light scattering off the cavity walls induces an overall increase in light dose in the cavity. We present a Monte Carlo simulation of light fluence based on a spherical and an elliptical cavity geometry with various dimensions. The tissue optical properties as well as the non-scattering medium (air and water) varies. We have also introduced small absorption inside the cavity to simulate the effect of blood absorption. We expand the MC simulation to track photons both within the cavity and in the surrounding cavity walls. Simulations are run for a variety of cavity optical properties determined using spectroscopic methods. We concluded from the MC simulation that the light fluence inside the cavity is inversely proportional to the surface area.

19.
Nucleus (La Habana) ; (50): 24-30, jul.-dic. 2011.
Artigo em Inglês | LILACS | ID: lil-738952

RESUMO

ABSTRACT In this work the mathematical simulation of photon transport in the matter was used to evaluate the potentials of a new energy-resolved X-ray radiography system. The system is intended for investigations of cultural heritage object, mainly painting. The radiographic system uses polychromatic radiation from an X-ray tube and measures the spectrum transmitted through the object with an energy-dispersive X-ray detector on a pixel-by-pixel basis. Manipulation of the data-set obtained allows constructing images with enhanced contrast for certain elements. Here the use of the absorption edge subtraction technique was emphasized. The simulated results were in good agreement with the experimental data.


RESUMEN En este trabajo se utilizó la simulación matemática del transporte de los fotones en la materia para evaluar las potencialidades de un nuevo sistema radiográfico destinado al estudio de obras del patrimonio cultural. Este sistema emplea una fuente de rayos X no monocromática y mide a nivel de píxel el espectro transmitido a través del objeto en estudio con un detector espectrométrico. El procesamiento del conjunto de datos obtenidos permite la construcción de imágenes con contraste realzado para ciertos elementos. En el presente trabajo se enfatizó en el uso de la técnica de sustracción del borde de absorción para el procesamiento de las imágenes. Los resultados de las simulaciones resultaron consistentes con las mediciones experimentales.

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