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1.
Sci Rep ; 14(1): 8145, 2024 04 08.
Artículo en Inglés | MEDLINE | ID: mdl-38584229

RESUMEN

Photoplethysmography (PPG) uses light to detect volumetric changes in blood, and is integrated into many healthcare devices to monitor various physiological measurements. However, an unresolved limitation of PPG is the effect of skin pigmentation on the signal and its impact on PPG based applications such as pulse oximetry. Hence, an in-silico model of the human finger was developed using the Monte Carlo (MC) technique to simulate light interactions with different melanin concentrations in a human finger, as it is the primary determinant of skin pigmentation. The AC/DC ratio in reflectance PPG mode was evaluated at source-detector separations of 1 mm and 3 mm as the convergence rate (Q), a parameter that quantifies the accuracy of the simulation, exceeded a threshold of 0.001. At a source-detector separation of 3 mm, the AC/DC ratio of light skin was 0.472 times more than moderate skin and 6.39 than dark skin at 660 nm, and 0.114 and 0.141 respectively at 940 nm. These findings are significant for the development of PPG-based sensors given the ongoing concerns regarding the impact of skin pigmentation on healthcare devices.


Asunto(s)
Melaninas , Fotopletismografía , Humanos , Fotopletismografía/métodos , Método de Montecarlo , Oximetría/métodos , Dedos/fisiología
2.
Zhongguo Yi Liao Qi Xie Za Zhi ; 48(2): 156-159, 2024 Mar 30.
Artículo en Chino | MEDLINE | ID: mdl-38605614

RESUMEN

Objective: The distribution of the photon energy spectrum in isocenter plane of the medical linear accelerator and the influence of secondary collimator on the photon energy spectrum are studied. Methods Use the BEAMnrc program to simulate the transmission of the 6 MeV electrons and photons in 5 cm×5 cm,10 cm×10 cm,15 cm×15 cm and 20 cm×20 cm fields in treatment head of the medical linear accelerator, where a phase space file was set up at the isocenter plane to record the particle information passing through this plane. The BEAMdp program is used to analyze the phase space file, in order to obtain the distribution of the photon energy spectrum in isocenter plane and the influence of secondary collimator on the photon energy spectrum. Results: By analyzing the photon energy spectrum of a medical linear accelerator with a nominal energy of 6 MV, it is found that the secondary collimator has little effect on the photon energy spectrum; different fields have different photon energy spectrum distributions; the photon energy spectrum in different central regions of the same field have the same normalized distribution. Conclusion: In the dose calculation of radiation therapy, the influence of photon energy spectrum should be carefully considered.


Asunto(s)
Fotones , Planificación de la Radioterapia Asistida por Computador , Método de Montecarlo , Fotones/uso terapéutico , Aceleradores de Partículas , Fantasmas de Imagen , Dosificación Radioterapéutica
3.
Cancer Radiother ; 28(2): 195-201, 2024 Apr.
Artículo en Inglés | MEDLINE | ID: mdl-38599941

RESUMEN

PURPOSE: Preclinical data demonstrated that the use of proton minibeam radiotherapy reduces the risk of toxicity in healthy tissue. Ventricular tachycardia radioablation is an area under clinical investigation in proton beam therapy. We sought to simulate a ventricular tachycardia radioablation with proton minibeams and to demonstrate that it was possible to obtain a homogeneous coverage of an arrhythmogenic cardiac zone with this technique. MATERIAL AND METHODS: An arrhythmogenic target volume was defined on the simulation CT scan of a patient, localized in the lateral wall of the left ventricle. A dose of 25Gy was planned to be delivered by proton minibeam radiotherapy, simulated using a Monte Carlo code (TOPAS v.3.7) with a collimator of 19 0.4 mm-wide slits spaced 3mm apart. The main objective of the study was to obtain a plan ensuring at least 93% of the prescription dose in 93% of the planning target volume without exceeding 110% of the prescribed dose in the planning target volume. RESULTS: The average dose in the planning treatment volume in proton minibeam radiotherapy was 25.12Gy. The percentage of the planning target volume receiving 93% (V93%), 110% (V110%), and 95% (V95%) of the prescribed dose was 94.25%, 0%, and 92.6% respectively. The lateral penumbra was 6.6mm. The mean value of the peak-to-valley-dose ratio in the planning target volume was 1.06. The mean heart dose was 2.54Gy versus 5.95Gy with stereotactic photon beam irradiation. CONCLUSION: This proof-of-concept study shows that proton minibeam radiotherapy can achieve a homogeneous coverage of an arrhythmogenic cardiac zone, reducing the dose at the normal tissues. This technique, ensuring could theoretically reduce the risk of late pulmonary and breast fibrosis, as well as cardiac toxicity as seen in previous biological studies in proton minibeam radiotherapy.


Asunto(s)
Terapia de Protones , Protones , Humanos , Estudios de Factibilidad , Terapia de Protones/métodos , Radiometría , Planificación de la Radioterapia Asistida por Computador/métodos , Dosificación Radioterapéutica , Método de Montecarlo
4.
Biom J ; 66(3): e2300279, 2024 Apr.
Artículo en Inglés | MEDLINE | ID: mdl-38576312

RESUMEN

Reduced major axis (RMA) regression, widely used in the fields of zoology, botany, ecology, biology, spectroscopy, and among others, outweighs the ordinary least square regression by relaxing the assumption that the covariates are without measurement errors. A Bayesian implementation of the RMA regression is presented in this paper, and the equivalence of the estimates of the parameters under the Bayesian and the frequentist frameworks is proved. This model-based Bayesian RMA method is advantageous since the posterior estimates, the standard deviations, as well as the credible intervals of the estimates can be obtained through Markov chain Monte Carlo methods directly. In addition, it is straightforward to extend to the multivariate RMA case. The performance of the Bayesian RMA approach is evaluated in the simulation study, and, finally, the proposed method is applied to analyze a dataset in the plantation.


Asunto(s)
Ecología , Teorema de Bayes , Simulación por Computador , Cadenas de Markov , Método de Montecarlo
5.
Sci Rep ; 14(1): 8468, 2024 04 11.
Artículo en Inglés | MEDLINE | ID: mdl-38605022

RESUMEN

Spatially Fractionated Radiotherapy (SFRT) has demonstrated promising potential in cancer treatment, combining the advantages of reduced post-radiation effects and enhanced local control rates. Within this paradigm, proton minibeam radiotherapy (pMBRT) was suggested as a new treatment modality, possibly producing superior normal tissue sparing to conventional proton therapy, leading to improvements in patient outcomes. However, an effective and convenient beam generation method for pMBRT, capable of implementing various optimum dose profiles, is essential for its real-world application. Our study investigates the potential of utilizing the moiré effect in a dual collimator system (DCS) to generate pMBRT dose profiles with the flexibility to modify the center-to-center distance (CTC) of the dose distribution in a technically simple way.We employ the Geant4 Monte Carlo simulations tool to demonstrate that the angle between the two collimators of a DCS can significantly impact the dose profile. Varying the DCS angle from 10 ∘ to 50 ∘ we could cover CTC ranging from 11.8 mm to 2.4 mm, respectively. Further investigations reveal the substantial influence of the multi-slit collimator's (MSC) physical parameters on the spatially fractionated dose profile, such as period (CTC), throughput, and spacing between MSCs. These findings highlight opportunities for precision dose profile adjustments tailored to specific clinical scenarios.The DCS capacity for rapid angle adjustments during the energy transition stages of a spot scanning system can facilitate dynamic alterations in the irradiation profile, enhancing dose contrast in normal tissues. Furthermore, its unique attribute of spatially fractionated doses in both lateral directions could potentially improve normal tissue sparing by minimizing irradiated volume. Beyond the realm of pMBRT, the dual MSC system exhibits remarkable versatility, showing compatibility with different types of beams (X-rays and electrons) and applicability across various SFRT modalities.Our study illuminates the dual MSC system's potential as an efficient and adaptable tool in the refinement of pMBRT techniques. By enabling meticulous control over irradiation profiles, this system may expedite advancements in clinical and experimental applications, thereby contributing to the evolution of SFRT strategies.


Asunto(s)
Terapia de Protones , Traumatismos por Radiación , Humanos , Terapia de Protones/métodos , Protones , Radiación Ionizante , Método de Montecarlo , Etopósido , Fraccionamiento de la Dosis de Radiación , Dosificación Radioterapéutica , Planificación de la Radioterapia Asistida por Computador
6.
Sci Total Environ ; 927: 172119, 2024 Jun 01.
Artículo en Inglés | MEDLINE | ID: mdl-38569951

RESUMEN

Simulation of the physicochemical and biochemical behavior of nanomaterials has its own specifics. However, the main goal of modeling for both traditional substances and nanomaterials is the same. This is an ecologic risk assessment. The universal indicator of toxicity is the n-octanol/water partition coefficient. Mutagenicity indicates the possibility of future undesirable environmental effects, possibly greater than toxicity. Models have been proposed for the octanol/water distribution coefficient of gold nanoparticles and the mutagenicity of silver nanoparticles. Unlike the previous studies, here the models are built using an updated scheme, which includes two improvements. Firstly, the computing involves a new criterion for prediction potential, the so-called coefficient of conformism of a correlative prediction (CCCP); secondly, the Las Vegas algorithm is used to select the potentially most promising models from a group of models obtained by the Monte Carlo algorithm. Apparently, CCCP is a measure of the predictive potential (not only correlation). This can give an advantage in developing a model in comparison to using the classic determination coefficient. Likely, CCCP can be more informative than the classical determination coefficient. The Las Vegas algorithm is able to improve the model obtained by the Monte Carlo method.


Asunto(s)
Relación Estructura-Actividad Cuantitativa , Algoritmos , Nanopartículas del Metal , Método de Montecarlo , Modelos Químicos , Nanopartículas , Medición de Riesgo/métodos , Plata
7.
J Chem Inf Model ; 64(8): 3008-3020, 2024 Apr 22.
Artículo en Inglés | MEDLINE | ID: mdl-38573053

RESUMEN

Nuclear magnetic resonance (NMR) spectroscopy is an important analytical technique in synthetic organic chemistry, but its integration into high-throughput experimentation workflows has been limited by the necessity of manually analyzing the NMR spectra of new chemical entities. Current efforts to automate the analysis of NMR spectra rely on comparisons to databases of reported spectra for known compounds and, therefore, are incompatible with the exploration of new chemical space. By reframing the NMR spectrum of a reaction mixture as a joint probability distribution, we have used Hamiltonian Monte Carlo Markov Chain and density functional theory to fit the predicted NMR spectra to those of crude reaction mixtures. This approach enables the deconvolution and analysis of the spectra of mixtures of compounds without relying on reported spectra. The utility of our approach to analyze crude reaction mixtures is demonstrated with the experimental spectra of reactions that generate a mixture of isomers, such as Wittig olefination and C-H functionalization reactions. The correct identification of compounds in a reaction mixture and their relative concentrations is achieved with a mean absolute error as low as 1%.


Asunto(s)
Espectroscopía de Protones por Resonancia Magnética , Método de Montecarlo , Cadenas de Markov , Teoría Funcional de la Densidad
8.
J Hazard Mater ; 470: 134077, 2024 May 15.
Artículo en Inglés | MEDLINE | ID: mdl-38574654

RESUMEN

In this study, we analyzed the occurrence and distribution of 11 benzophenone-type ultraviolet filters (BPs) in 893 food samples spanning 7 food categories in Taiwan. We conducted a Monte Carlo simulation to determine the carcinogenic and noncarcinogenic risks of BPs. The results indicated that cornflakes had the highest mean level of BPs (103 ng/g), followed by bread (101 ng/g) and pastries (59 ng/g). BP was the most prevalent category, followed by 4-methylbenzophenone (4-MBP), 2-hydroxybenzophenone, and benzophenone-3. Estimation of the lifetime cancer risk (LTCR) of BP (average life expectancy of 80 years) placed them in the 50th and 97.5th percentiles [P50 (P97.5)] LTCR of 1.9 × 10-7 (5.7 × 10-6), indicating that BP in food poses a low renal hazard to the Taiwanese population. The noncarcinogenic risk of BPs was evaluated using a hazard quotient and combined margin of exposure (MOET), revealing a P50 (P97.5) hazard index of < 1 for BP, 4-MBP, and methyl-2-benzoylbenzoate. Although the P50 MOET values for all age groups were within the moderate range of concern, with a more conservative extreme (P2.5), the MOET values for the 0-3, 3-6, and 6-12 age groups fell below 100, indicating a high concern for renal degeneration and hyperplasia.


Asunto(s)
Benzofenonas , Contaminación de Alimentos , Benzofenonas/análisis , Benzofenonas/toxicidad , Taiwán , Humanos , Medición de Riesgo , Contaminación de Alimentos/análisis , Protectores Solares/análisis , Protectores Solares/toxicidad , Método de Montecarlo , Análisis de los Alimentos
9.
Artif Intell Med ; 151: 102826, 2024 May.
Artículo en Inglés | MEDLINE | ID: mdl-38579438

RESUMEN

Monitoring healthcare processes, such as surgical outcomes, with a keen focus on detecting changes and unnatural conditions at an early stage is crucial for healthcare professionals and administrators. In line with this goal, control charts, which are the most popular tool in the field of Statistical Process Monitoring, are widely employed to monitor therapeutic processes. Healthcare processes are often characterized by a multistage structure in which several components, states or stages form the final products or outcomes. In such complex scenarios, Multistage Process Monitoring (MPM) techniques become invaluable for monitoring distinct states of the process over time. However, the healthcare sector has seen limited studies employing MPM. This study aims to fill this gap by developing an MPM control chart tailored for healthcare data to promote early detection, confirmation, and patient safety. As it is important to detect unnatural conditions in healthcare processes at an early stage, the statistical control charts are combined with machine learning techniques (i.e., we deal with Intelligent Control Charting, ICC) to enhance detection ability. Through Monte Carlo simulations, our method demonstrates better performance compared to its statistical counterparts. To underline the practical application of the proposed ICC framework, real data from a two-stage thyroid cancer surgery is utilized. This real-world case serves as a compelling illustration of the effectiveness of the developed MPM control chart in a healthcare setting.


Asunto(s)
Aprendizaje Automático , Humanos , Método de Montecarlo , Tiroidectomía/métodos , Neoplasias de la Tiroides/cirugía , Atención a la Salud/organización & administración
10.
BMC Public Health ; 24(1): 1144, 2024 Apr 24.
Artículo en Inglés | MEDLINE | ID: mdl-38658955

RESUMEN

BACKGROUND: Body Mass Index (BMI) is a measurement of nutritional status, which is a vital pre-condition for good health. The prevalence of childhood malnutrition and the potential long-term health risks associated with obesity in Ethiopia have recently increased globally. The main objective of this study was to investigate the factors associated with the quantiles of under-five children's BMI in Ethiopia. METHODS: Data on 5,323 children, aged between 0-59 months from March 21, 2019, to June 28, 2019, were obtained from the Ethiopian Mini Demographic Health Survey (EMDHS, 2019), based on the standards set by the World Health Organization. The study used a Bayesian quantile regression model to investigate the association of factors with the quantiles of under-five children's body mass index. Markov Chain Monte Carlo (MCMC) with Gibbs sampling was used to estimate the country-specific marginal posterior distribution estimates of model parameters, using the Brq R package. RESULTS: Out of a total of 5323 children included in this study, 5.09% were underweight (less than 12.92 BMI), 10.05% were overweight (BMI: 17.06 - 18.27), and 5.02% were obese (greater than or equal to 18.27 BMI) children's. The result of the Bayesian quantile regression model, including marginal posterior credible intervals (CIs), showed that for the prediction of the 0.05 quantile of BMI, the current age of children [ ß = -0.007, 95% CI :(-0.01, -0.004)], the region Afar [ ß = - 0.32, 95% CI: (-0.57, -0.08)] and Somalia[ ß = -0.72, 95% CI: (-0.96, -0.49)] were negatively associated with body mass index while maternal age [ ß = 0.01, 95% CI: (0.005, 0.02)], mothers primary education [ ß = 0.19, 95% CI: (0.08, 0.29)], secondary and above [ ß = 0.44, 95% CI: (0.29, 0.58)], and family follows protestant [ ß = 0.22, 95% CI: (0.07, 0.37)] were positively associated with body mass index. In the prediction of the 0.95 (or 0.85?) quantile of BMI, in the upper quantile, still breastfeeding [ ß = -0.25, 95% CI: (-0.41, -0.10)], being female [ ß = -0.13, 95% CI: (-0.23, -0.03)] were negatively related while wealth index [ ß = 0.436, 95% CI: (0.25, 0.62)] was positively associated with under-five children's BMI. CONCLUSIONS: In conclusion, the research findings indicate that the percentage of lower and higher BMI for under-five children in Ethiopia is high. Factors such as the current age of children, sex of children, maternal age, religion of the family, region and wealth index were found to have a significant impact on the BMI of under-five children both at lower and upper quantile levels. Thus, these findings highlight the need for administrators and policymakers to devise and implement strategies aimed at enhancing the normal or healthy weight status among under-five children in Ethiopia.


Asunto(s)
Teorema de Bayes , Índice de Masa Corporal , Obesidad Pediátrica , Humanos , Etiopía/epidemiología , Femenino , Lactante , Preescolar , Masculino , Recién Nacido , Obesidad Pediátrica/epidemiología , Encuestas Epidemiológicas , Delgadez/epidemiología , Método de Montecarlo , Sobrepeso/epidemiología , Estado Nutricional , Prevalencia
11.
Bull Math Biol ; 86(6): 61, 2024 Apr 25.
Artículo en Inglés | MEDLINE | ID: mdl-38662288

RESUMEN

In this paper, we presented a mathematical model for tuberculosis with treatment for latent tuberculosis cases and incorporated social implementations based on the impact they will have on tuberculosis incidence, cure, and recovery. We incorporated two variables containing the accumulated deaths and active cases into the model in order to study the incidence and mortality rate per year with the data reported by the model. Our objective is to study the impact of social program implementations and therapies on latent tuberculosis in particular the use of once-weekly isoniazid-rifapentine for 12 weeks (3HP). The computational experimentation was performed with data from Brazil and for model calibration, we used the Markov Chain Monte Carlo method (MCMC) with a Bayesian approach. We studied the effect of increasing the coverage of social programs, the Bolsa Familia Programme (BFP) and the Family Health Strategy (FHS) and the implementation of the 3HP as a substitution therapy for two rates of diagnosis and treatment of latent at 1% and 5%. Based of the data obtained by the model in the period 2023-2035, the FHS reported better results than BFP in the case of social implementations and 3HP with a higher rate of diagnosis and treatment of latent in the reduction of incidence and mortality rate and in cases and deaths avoided. With the objective of linking the social and biomedical implementations, we constructed two different scenarios with the rate of diagnosis and treatment. We verified with results reported by the model that with the social implementations studied and the 3HP with the highest rate of diagnosis and treatment of latent, the best results were obtained in comparison with the other independent and joint implementations. A reduction of the incidence by 36.54% with respect to the model with the current strategies and coverage was achieved, and a greater number of cases and deaths from tuberculosis was avoided.


Asunto(s)
Antituberculosos , Teorema de Bayes , Isoniazida , Tuberculosis Latente , Cadenas de Markov , Conceptos Matemáticos , Método de Montecarlo , Rifampin , Humanos , Brasil/epidemiología , Incidencia , Isoniazida/administración & dosificación , Antituberculosos/administración & dosificación , Rifampin/administración & dosificación , Rifampin/análogos & derivados , Rifampin/uso terapéutico , Tuberculosis Latente/epidemiología , Tuberculosis Latente/tratamiento farmacológico , Tuberculosis Latente/mortalidad , Modelos Biológicos , Tuberculosis/mortalidad , Tuberculosis/epidemiología , Tuberculosis/tratamiento farmacológico , Simulación por Computador
12.
Radiat Oncol ; 19(1): 40, 2024 Mar 20.
Artículo en Inglés | MEDLINE | ID: mdl-38509543

RESUMEN

PURPOSE: To assess a large panel of MR compatible detectors on the full range of measurements required for a 0.35 T MR-linac commissioning by using a specific statistical method represented as a continuum of comparison with the Monte Carlo (MC) TPS calculations. This study also describes the commissioning tests and the secondary MC dose calculation validation. MATERIAL AND METHODS: Plans were created on the Viewray TPS to generate MC reference data. Absolute dose points, PDD, profiles and output factors were extracted and compared to measurements performed with ten different detectors: PTW 31010, 31021, 31022, Markus 34045 and Exradin A28 MR ionization chambers, SN Edge shielded diode, PTW 60019 microdiamond, PTW 60023 unshielded diode, EBT3 radiochromic films and LiF µcubes. Three commissioning steps consisted in comparison between calculated and measured dose: the beam model validation, the output calibration verification in four different phantoms and the commissioning tests recommended by the IAEA-TECDOC-1583. MAIN RESULTS: The symmetry for the high resolution detectors was higher than the TPS data of about 1%. The angular responses of the PTW 60023 and the SN Edge were - 6.6 and - 11.9% compared to the PTW 31010 at 60°. The X/Y-left and the Y-right penumbras measured by the high resolution detectors were in good agreement with the TPS values except for the PTW 60023 for large field sizes. For the 0.84 × 0.83 cm2 field size, the mean deviation to the TPS of the uncorrected OF was - 1.7 ± 1.6% against - 4.0 ± 0.6% for the corrected OF whereas we found - 4.8 ± 0.8% for passive dosimeters. The mean absolute dose deviations to the TPS in different phantoms were 0 ± 0.4%, - 1.2 ± 0.6% and 0.5 ± 1.1% for the PTW 31010, PTW 31021 and Exradin A28 MR respectively. CONCLUSIONS: The magnetic field effects on the measurements are considerably reduced at low magnetic field. The PTW 31010 ionization chamber can be used with confidence in different phantoms for commissioning and QA tests requiring absolute dose verifications. For relative measurements, the PTW 60019 presented the best agreement for the full range of field size. For the profile assessment, shielded diodes had a behaviour similar to the PTW 60019 and 60023 while the ionization chambers were the most suitable detectors for the symmetry. The output correction factors published by the IAEA TRS 483 seem to be applicable at low magnetic field pending the publication of new MR specific values.


Asunto(s)
Aceleradores de Partículas , Radiometría , Humanos , Radiometría/métodos , Método de Montecarlo , Fantasmas de Imagen , Calibración
13.
Health Phys ; 126(5): 339-345, 2024 May 01.
Artículo en Inglés | MEDLINE | ID: mdl-38526252

RESUMEN

ABSTRACT: After considering epidemiological studies on the induction of cataracts in individuals exposed to radiation, the International Commission on Radiological Protection recommended, in 2012, a reduction in the annual eye-dose limit of occupationally exposed workers. This imposed higher performance demands on existing dosimetry systems and the development of new dosimetry technologies. The operational quantity to be measured is Hp(3), the personal dose equivalent at a depth of 3 mm in an ICRU 4-element tissue cylinder 20 cm in height and 20 cm in diameter. The conversion coefficients per unit incident fluence, Hp(3)/Φ, were calculated using Monte Carlo simulation codes. In the case of incident electrons, the literature shows that the resulting coefficients depend on the electron transport options selected for the Monte Carlo simulations as well as the tally zone thickness. In this study, electron operational eye-lens dose coefficients were calculated using MCNP6.2 in its default settings and by invoking the single-event feature. The results were compared to those from PENELOPE, a well-known code for its enhanced accuracy in handling low-energy electron transport. The results are in agreement for the entire energy range for these two series of simulations, but differences are found with previously published dose coefficients in the literature. This impacts the calibration of dosimeters for electrons and may require a change in the commonly accepted dose coefficients.


Asunto(s)
Catarata , Cristalino , Humanos , Electrones , Método de Montecarlo , Calibración
14.
Health Phys ; 126(5): 309-314, 2024 May 01.
Artículo en Inglés | MEDLINE | ID: mdl-38526249

RESUMEN

ABSTRACT: The Human Monitoring Laboratory (HML) at Health Canada updated its whole-body counter with four new electrically cooled HPGe detectors. To optimize the counting efficiency of the new system, Monte Carlo simulation was used to model the whole-body counter using a reference BOMAB male phantom. The resulting modeled counting efficiencies showed that the best position to install the four new detectors could be obtained without performing laborious real measurements, thereby reducing the cost of preparing the BOMAB phantoms and reconfiguring the detector arrays in multiple geometries, saving time and energy.


Asunto(s)
Electricidad , Laboratorios , Humanos , Masculino , Método de Montecarlo , Canadá , Simulación por Computador
15.
PLoS Comput Biol ; 20(3): e1011976, 2024 Mar.
Artículo en Inglés | MEDLINE | ID: mdl-38483981

RESUMEN

The potential effects of conservation actions on threatened species can be predicted using ensemble ecosystem models by forecasting populations with and without intervention. These model ensembles commonly assume stable coexistence of species in the absence of available data. However, existing ensemble-generation methods become computationally inefficient as the size of the ecosystem network increases, preventing larger networks from being studied. We present a novel sequential Monte Carlo sampling approach for ensemble generation that is orders of magnitude faster than existing approaches. We demonstrate that the methods produce equivalent parameter inferences, model predictions, and tightly constrained parameter combinations using a novel sensitivity analysis method. For one case study, we demonstrate a speed-up from 108 days to 6 hours, while maintaining equivalent ensembles. Additionally, we demonstrate how to identify the parameter combinations that strongly drive feasibility and stability, drawing ecological insight from the ensembles. Now, for the first time, larger and more realistic networks can be practically simulated and analysed.


Asunto(s)
Ecosistema , Método de Montecarlo , Predicción
16.
Biometrics ; 80(1)2024 Jan 29.
Artículo en Inglés | MEDLINE | ID: mdl-38497825

RESUMEN

Modern biomedical datasets are increasingly high-dimensional and exhibit complex correlation structures. Generalized linear mixed models (GLMMs) have long been employed to account for such dependencies. However, proper specification of the fixed and random effects in GLMMs is increasingly difficult in high dimensions, and computational complexity grows with increasing dimension of the random effects. We present a novel reformulation of the GLMM using a factor model decomposition of the random effects, enabling scalable computation of GLMMs in high dimensions by reducing the latent space from a large number of random effects to a smaller set of latent factors. We also extend our prior work to estimate model parameters using a modified Monte Carlo Expectation Conditional Minimization algorithm, allowing us to perform variable selection on both the fixed and random effects simultaneously. We show through simulation that through this factor model decomposition, our method can fit high-dimensional penalized GLMMs faster than comparable methods and more easily scale to larger dimensions not previously seen in existing approaches.


Asunto(s)
Algoritmos , Simulación por Computador , Modelos Lineales , Método de Montecarlo
17.
Technol Cancer Res Treat ; 23: 15330338241235771, 2024.
Artículo en Inglés | MEDLINE | ID: mdl-38449099

RESUMEN

Objectives: Cancer-related death rates account for approximately one-third of all deaths, and this rate is increasing remarkably every year. In this study, we examined the dose enhancement factor (DEF) in the tumor and surrounding tissues by adding different concentrations of silver nanoparticles (AgNPs) to the brain tumor using the Monte Carlo (MC) technique. Methods: This study used MCNP6.2 simulation software. A Planning Target Volume (PTV) of 1 × 1 × 1 cm3 was placed in the center of a cubic cranial model with dimensions of 5 × 5 × 5 cm3. Five different simulations were initially generated using the simple method. These simulations included pure PTV and PTV consisting of 4 different silver concentrations (5, 10, 20, and 30 mg/g). Additionally, a model was created using the nanolattice method, considering the size, position, and distribution of the AgNPs. Irradiation was performed using a source with a 6 MV linac photon spectrum. Measurements were performed using the *f8 tally, and DEF values were calculated. Results: In the simulation study using the simple method, the DEF value of PTV increased linearly with concentration, whereas the DEF values were lower than the simulation results with the nanolattice model (1.9 vs 1.4 for 30 mg/g NP concentration). Performing the simple method, we observed no remarkable dose increase in lateral OARs surrounding PTV. While a remarkable dose decrease was observed in distal OARs, a dose increase in the proximal OAR was observed, which was consistent with that of PTV. However, according to the results obtained by performing the nanolattice method, the dose increase was observed in both the proximal OAR and the distal OAR and was similar to that of PTV. Conclusion: While enhancing the dose in the tumor by adding NPs into the tumor, it is essential to consider whether it also increases the OAR dose. In addition, simulation studies on NPs showed that the dose increase varied significantly with particle size, position, and distribution. Hence, these factors should be considered carefully.


Asunto(s)
Neoplasias Encefálicas , Nanopartículas del Metal , Humanos , Plata , Simulación por Computador , Método de Montecarlo
18.
Int J Mol Sci ; 25(6)2024 Mar 18.
Artículo en Inglés | MEDLINE | ID: mdl-38542384

RESUMEN

We present ionization cross sections of hydrogen molecules by electron and positron impact for impact energies between 20 and 1000 eV. A three-body Classical Trajectory Monte Carlo approximation is applied to mimic the collision system. In this approach, the H2 molecule is modeled by a hydrogen-type atom with one active electron bound to a central core of effective charge with an effective binding energy. Although this model is crude for describing a hydrogen molecule, we found that the total cross sections for positron impact agree reasonably well with the experimental data. For the electron impact, our calculated cross sections are in good agreement with the experimental data in impact energies between 80 eV and 400 eV but are smaller at higher impact energies and larger at lower impact energies. Our calculated cross sections are compared with the scaled cross sections obtained experimentally for an atomic hydrogen target. We also present single differential cross sections as a function of the energy and angle of the ejected electron and scattered projectiles for a 250 eV impact. These are shown to agree well with available data. Impact parameter distributions are also compared for several impact energies.


Asunto(s)
Electrones , Hidrógeno , Agua/química , Fenómenos Físicos , Método de Montecarlo
19.
Phys Med Biol ; 69(8)2024 Apr 09.
Artículo en Inglés | MEDLINE | ID: mdl-38484398

RESUMEN

Objective.In brachytherapy, deep learning (DL) algorithms have shown the capability of predicting 3D dose volumes. The reliability and accuracy of such methodologies remain under scrutiny for prospective clinical applications. This study aims to establish fast DL-based predictive dose algorithms for low-dose rate (LDR) prostate brachytherapy and to evaluate their uncertainty and stability.Approach.Data from 200 prostate patients, treated with125I sources, was collected. The Monte Carlo (MC) ground truth dose volumes were calculated with TOPAS considering the interseed effects and an organ-based material assignment. Two 3D convolutional neural networks, UNet and ResUNet TSE, were trained using the patient geometry and the seed positions as the input data. The dataset was randomly split into training (150), validation (25) and test (25) sets. The aleatoric (associated with the input data) and epistemic (associated with the model) uncertainties of the DL models were assessed.Main results.For the full test set, with respect to the MC reference, the predicted prostateD90metric had mean differences of -0.64% and 0.08% for the UNet and ResUNet TSE models, respectively. In voxel-by-voxel comparisons, the average global dose difference ratio in the [-1%, 1%] range included 91.0% and 93.0% of voxels for the UNet and the ResUNet TSE, respectively. One forward pass or prediction took 4 ms for a 3D dose volume of 2.56 M voxels (128 × 160 × 128). The ResUNet TSE model closely encoded the well-known physics of the problem as seen in a set of uncertainty maps. The ResUNet TSE rectum D2cchad the largest uncertainty metric of 0.0042.Significance.The proposed DL models serve as rapid dose predictors that consider the patient anatomy and interseed attenuation effects. The derived uncertainty is interpretable, highlighting areas where DL models may struggle to provide accurate estimations. The uncertainty analysis offers a comprehensive evaluation tool for dose predictor model assessment.


Asunto(s)
Braquiterapia , Aprendizaje Profundo , Masculino , Humanos , Braquiterapia/métodos , Próstata , Incertidumbre , Reproducibilidad de los Resultados , Estudios Prospectivos , Método de Montecarlo , Dosificación Radioterapéutica , Planificación de la Radioterapia Asistida por Computador/métodos
20.
Appl Radiat Isot ; 208: 111296, 2024 Jun.
Artículo en Inglés | MEDLINE | ID: mdl-38508065

RESUMEN

This study aimed to investigate the effect of diabetes on radiation attenuation parameters of the femur and tibia of rats using Monte Carlo Simulations. First, control and diabetic rats were identified and tibias and femurs were removed. Then, the elemental ratios of the bones obtained were calculated using EDS (Energy Dissipative X-ray Spectroscopy). Therefore, radiation permeability properties of control and diabetic bones were simulated by using the content ratios in the bones in MCNP6 (Monte Carlo N-Particle) and PHITS (Particle and Heavy Ion Transport code System) 3.22 and Stopping and Range of Ions in Matter (SRIM) simulation codes. Attenuation coefficient results were compared with the NIST database via XCOM. Although differences in absorption coefficients are observed at low energies, these differences disappear as the energy increases.


Asunto(s)
Diabetes Mellitus Experimental , Tibia , Ratas , Animales , Tibia/diagnóstico por imagen , Proyectos Piloto , Simulación por Computador , Fémur/diagnóstico por imagen , Método de Montecarlo
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