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1.
Int J Numer Method Biomed Eng ; 40(8): e3847, 2024 Aug.
Article in English | MEDLINE | ID: mdl-38982660

ABSTRACT

An epicardial approach is often used in radiofrequency (RF) catheter ablation to ablate ventricular tachycardia when an endocardial approach fails. Our objective was to analyze the effect of the position of the dispersive patch (DP) on lesion size using computer modeling during epicardial approach. We compared the posterior position (patient's back), commonly used in clinical practice, to the anterior position (patient's chest). The model considered ventricular wall thicknesses between 4 and 8 mm, and electrode insertion depths between .3 and .7 mm. RF pulses were simulated with 20 W of power for 30 s duration. Statistically significant differences (P < .001) were found between both DP positions in terms of baseline impedance, RF current (at 15 s) and thermal lesion size. The anterior position involved lower impedance (130.8 ± 4.7 vs. 146.2 ± 4.9 Ω) and a higher current (401.5 ± 5.6 vs. 377.5 ± 5.1 mA). The anterior position created lesion sizes larger than the posterior position: 8.9 ± 0.4 vs. 8.4 ± 0.4 mm in maximum width, 8.6 ± 0.4 vs. 8.1 ± 0.4 mm in surface width, and 4.5 ± 0.4 vs. 4.3 ± 0.4 mm in depth. Our results suggest that: (1) the redirection of the RF currents due to repositioning the PD has little impact on lesion size and only affects baseline impedance, and (2) the differences in lesion size are only 0.5 mm wider and 0.2 mm deeper for the anterior position, which does not seem to have a clinical impact in the context of VT ablation.


Subject(s)
Catheter Ablation , Computer Simulation , Electrodes , Heart Ventricles , Humans , Heart Ventricles/surgery , Catheter Ablation/methods , Radiofrequency Ablation/methods , Models, Cardiovascular , Pericardium/surgery , Tachycardia, Ventricular/surgery , Tachycardia, Ventricular/physiopathology
2.
Int J Hyperthermia ; 41(1): 2364721, 2024.
Article in English | MEDLINE | ID: mdl-38880496

ABSTRACT

PURPOSE: To use computational modeling to provide a complete and logical description of the electrical and thermal behavior during stereoelectroencephalography-guided (SEEG) radiofrequency thermo-coagulation (RF-TC). METHODS: A coupled electrical-thermal model was used to obtain the temperature distributions in the tissue during RF-TC. The computer model was first validated by an ex vivo model based on liver fragments and later used to study the impact of three different factors on the coagulation zone size: 1) the difference in the tissue surrounding the electrode (gray/white matter), 2) the presence of a peri-electrode gap occupied by cerebrospinal fluid (CSF), and 3) the energy setting used (power-duration). RESULTS: The model built for the experimental validation was able to predict both the evolution of impedance and the short diameter of the coagulation zone (error < 0.01 mm) reasonably well but overestimated the long diameter by 2 - 3 mm. After adapting the model to clinical conditions, the simulation showed that: 1) Impedance roll-off limited the coagulation size but involved overheating (around 100 °C); 2) The type of tissue around the contacts (gray vs. white matter) had a moderate impact on the coagulation size (maximum difference 0.84 mm), and 3) the peri-electrode gap considerably altered the temperature distributions, avoided overheating, although the diameter of the coagulation zone was not very different from the no-gap case (<0.2 mm). CONCLUSIONS: This study showed that computer modeling, especially subject- and scenario-specific modeling, can be used to estimate in advance the electrical and thermal performance of the RF-TC in brain tissue.


Subject(s)
Electrocoagulation , Electroencephalography , Electrocoagulation/methods , Humans , Electroencephalography/methods , Electrodes , Computer Simulation
3.
Gels ; 9(3)2023 Mar 04.
Article in English | MEDLINE | ID: mdl-36975646

ABSTRACT

In this paper, a model for Cr (VI) removal and optimization was made using a novel aerogel material, chitosan-resole CS/R aerogel, where a freeze-drying and final thermal treatment was employed to fabricate the aerogel. This processing ensures a network structure and stability for the CS, despite the non-uniform ice growth promoted by this process. Morphological analysis indicated a successful aerogel elaboration process., FTIR spectroscopy corroborated the aerogel precursor's identity and ascertained chemical bonding after adsorption. Owing to the variability of formulations, the adsorption capacity was modeled and optimized using computational techniques. The response surface methodology (RSM), based on the Box-Behnken design using three levels, was used to calculate the best control parameters for the CS/R aerogel: the concentration at %vol (50-90%), the initial concentration of Cr (VI) (25-100 mg/L), and adsorption time (0.3-4 h). Analysis of variance (ANOVA) and 3D graphs reveal that the CS/R aerogel concentration and adsorption time are the main parameters that influence the initial concentration of CS/R aerogel metal-ion uptake. The developed model successfully describes the process with a correlation coefficient of R2 = 0.96 for the RSM. The model obtained was optimized to find the best material design proposal for Cr (VI) removal. Numerical optimization was used and showed superior Cr (VI) removal (94.4%) under conditions of a CS/R aerogel concentration of 87/13 %vol, with an initial concentration of Cr (VI) of 31 mg/L, and an adsorption time of 3.02 h. These results suggest that the proposed computational model can obtain an effective and viable model for CS material processing and for optimization of the uptake of this metal.

4.
J Cardiovasc Dev Dis ; 9(10)2022 Oct 03.
Article in English | MEDLINE | ID: mdl-36286288

ABSTRACT

Background: Baseline impedance, radiofrequency current, and impedance drop during radiofrequency catheter ablation are thought to predict effective lesion formation. However, quantifying the contributions of local versus remote impedances provides insights into the limitations of indices using those parameters. Methods: An in silico model of left atrial radiofrequency catheter ablation was used based on human thoracic measurements and solved for (1) initial impedance (Z), (2) percentage of radiofrequency power delivered to the myocardium and blood (3) total radiofrequency current, (4) impedance drop during heating, and (5) lesion size after a 25 W−30 s ablation. Remote impedance was modeled by varying the mixing ratio between skeletal muscle and fat. Local impedance was modeled by varying insertion depth of the electrode (ID). Results: Increasing the remote impedance led to increased baseline impedance, lower system current delivery, and reduced lesion size. For ID = 0.5 mm, Z ranged from 115 to 132 Ω when fat percentage varied from 20 to 80%, resulting in a decrease in the RF current from 472 to 347 mA and a slight decrease in lesion size from 5.6 to 5.1 mm in depth, and from 9.2 to 8.0 mm in maximum width. In contrast, increasing the local impedance led to lower system current but larger lesions. For a 50% fat−muscle mixture, Z ranged from 118 to 138 Ω when ID varied from 0.3 to 1.9 mm, resulting in a decrease in the RF current from 463 to 443 mA and an increase in lesion size, from 5.2 up to 7.5 mm in depth, and from 8.4 up to 11.6 mm in maximum width. In cases of nearly identical Z but different contributions of local and remote impedance, markedly different lesions sizes were observed despite only small differences in RF current. Impedance drop better predicted lesion size (R2 > 0.93) than RF current (R2 < 0.1). Conclusions: Identical baseline impedances and observed RF currents can lead to markedly different lesion sizes with different relative contributions of local and remote impedances to the electrical circuit. These results provide mechanistic insights into the advantage of measuring local impedance and identifies potential limitations of indices incorporating baseline impedance or current to predict lesion quality.

5.
Biomedicines ; 11(1)2022 Dec 29.
Article in English | MEDLINE | ID: mdl-36672588

ABSTRACT

Transcranial direct current stimulation (tDCS) has been showing promising effects for the treatment of obsessive-compulsive disorder (OCD), but there is still no conclusion on its efficacy for this disorder. We performed a systematic review and meta-analysis of trials using tDCS for OCD and a computer modeling analysis to evaluate the electric field (EF) strengths of different electrode assemblies in brain regions of interest (ROIs) (PROSPERO-42021262465). PubMed/MEDLINE, Embase, Cochrane Library and Web of Science databases were searched from inception to 25 September 2022. Randomized controlled trials (RCTs) and open-label studies were included. The primary aim was the effect size (Hedges' g) of continuous outcomes and potential moderators of response. For EF modeling, SimNIBS software was used. Four RCTs and four open-label trials were included (n = 241). Results revealed a large effect of tDCS in the endpoint, but no significant effect between active and sham protocols. No predictor of response was found. EF analysis revealed that montages using the main electrode over the (pre)supplementary motor area with an extracephalic reference electrode might lead to stronger EFs in the predefined ROIs. Our results revealed that tDCS might be a promising intervention to treat OCD; however, larger studies are warranted.

6.
Int J Hyperthermia ; 38(1): 1502-1511, 2021.
Article in English | MEDLINE | ID: mdl-34674597

ABSTRACT

PURPOSE: Stellate ganglion (SG) block by thermal radiofrequency ablation (RFA) is frequently conducted as a therapeutic intervention for sympathetic-maintained and neuropathic pain syndromes. RFA's partial lack of effectiveness could be partly due to the ablation zone (AZ) not completely covering the SG section and therefore preventing the 'cutting' of the afferent pathways. Our objective was to build a theoretical model to conduct computer simulations to assess the effect of the electrode position relative to the SG. METHODS: A three-dimensional model was built including the SG and adjacent tissues (vertebrae C7-T1-T2, trachea, carotid artery and vertebral artery). RFA (90-s, 80 °C) was simulated considering a 22 G-5 mm electrode. The AZ was computed using the 50 °C isotherm. RESULTS: An electrode displacement of 2 mm in any direction from the optimal position (centered on the SG) meant that the AZ did not fully cover the SG section. Likewise, SG size considerably affected the RFA effectiveness since the AZ fully covered the section of small but not large SGs. CONCLUSIONS: The findings suggest that the currently used SG RFA settings (i.e., 22 G-5 mm electrode, 90-s, 80 °C) may not be appropriate due to their inability to achieve an AZ that fully covers the SG cross section under certain circumstances, such as a large SG and non-optimal positioning of the RF electrode with respect to the SG center.


Subject(s)
Catheter Ablation , Radiofrequency Ablation , Computer Simulation , Electrodes , Stellate Ganglion
7.
J Adv Res ; 32: 85-98, 2021 09.
Article in English | MEDLINE | ID: mdl-34484828

ABSTRACT

Introduction: Cryptocurrencies have been attracting the attention from media, investors, regulators and academia during the last years. In spite of some scepticism in the financial area, cryptocurrencies are a relevant subject of academic research. Objectives: In this paper, several tools are adopted as an instrument that can help market agents and investors to more clearly assess the cryptocurrencies price dynamics and, thus, guide investment decisions more assertively while mitigating risks. Methods: We consider three methods, namely the Auto-Regressive Integrated Moving Average (ARIMA), Auto-Regressive Fractionally Integrated Moving Average (ARFIMA) and Detrended Fluctuation Analysis, and three indices given by the Hurst and Lyapunov exponents or the Fractal Dimension. This information allows assessing the behaviour of the time series, such as their persistence, randomness, predictability and chaoticity. Results: The results suggest that, except for the Bitcoin, the other cryptocurrencies exhibit the characteristic of mean reverting, showing a lower predictability when compared to the Bitcoin. The results for the Bitcoin also indicate a persistent behavior that is related to the long memory effect. Conclusions: The ARFIMA reveals better predictive performance than the ARIMA for all cryptocurrencies. Indeed, the obtained residual values for the ARFIMA are smaller for the auto and partial auto correlations functions, as well as for confidence intervals.

8.
Food Chem ; 331: 127337, 2020 Nov 30.
Article in English | MEDLINE | ID: mdl-32585547

ABSTRACT

Naringenin (NG) is a flavonoid with many bioactive properties, however, its bitterness limits its use in foods. It is known that complex formation with proteins can mask this undesirable sensory property. Therefore, a trained panel evaluated the effect of bovine lactoferrin (LF) on NG bitterness using time-intensity analysis. LF reduced the maximum bitterness intensity and overall bitterness perception for NG by 27% and 33%, respectively. Isothermal titration nanocalorimetry (ITC), molecular docking (DC), and molecular dynamics (MD) were used to characterize NG-LF binding. These techniques provided similar values of ΔG° for binding ( [Formula: see text]  = -33.42 kJ mol-1; [Formula: see text]  = -32.22 kJ mol-1; [Formula: see text]  = -31.84 kJ mol-1). ITC showed that the complex formation is primarily entropy driven and DC suggested that NG binds at a hydrophobic site in LF. Here are presented strategic tools for promoting NG incorporation in food and health products.


Subject(s)
Flavanones/metabolism , Flavanones/pharmacology , Lactoferrin/chemistry , Lactoferrin/metabolism , Taste , Adult , Animals , Calorimetry/methods , Cattle , Entropy , Female , Flavanones/chemistry , Humans , Hydrophobic and Hydrophilic Interactions , Male , Molecular Docking Simulation , Molecular Dynamics Simulation , Thermodynamics
9.
Neuromodulation ; 20(3): 248-255, 2017 Apr.
Article in English | MEDLINE | ID: mdl-27704654

ABSTRACT

OBJECTIVE: To evaluate whether and to which extent skin redness (erythema) affects investigator blinding in transcranial direct current stimulation (tDCS) trials. MATERIAL AND METHODS: Twenty-six volunteers received sham and active tDCS, which was applied with saline-soaked sponges of different thicknesses. High-resolution skin images, taken before and 5, 15, and 30 min after stimulation, were randomized and presented to experienced raters who evaluated erythema intensity and judged on the likelihood of stimulation condition (sham vs. active). In addition, semi-automated image processing generated probability heatmaps and surface area coverage of erythema. Adverse events were also collected. RESULTS: Erythema was present, but less intense in sham compared to active groups. Erythema intensity was inversely and directly associated to correct sham and active stimulation group allocation, respectively. Our image analyses found that erythema also occurs after sham and its distribution is homogenous below electrodes. Tingling frequency was higher using thin compared to thick sponges, whereas erythema was more intense under thick sponges. CONCLUSIONS: Optimal investigator blinding is achieved when erythema after tDCS is mild. Erythema distribution under the electrode is patchy, occurs after sham tDCS and varies according to sponge thickness. We discuss methods to address skin erythema-related tDCS unblinding.


Subject(s)
Erythema/etiology , Transcranial Direct Current Stimulation/adverse effects , Adolescent , Adult , Analysis of Variance , Cross-Over Studies , Double-Blind Method , Erythema/diagnostic imaging , Female , Healthy Volunteers , Humans , Male , Middle Aged , Probability , Skin/diagnostic imaging , Time Factors , Visual Analog Scale , Young Adult
10.
Int J Cosmet Sci ; 38(1): 41-51, 2016 Feb.
Article in English | MEDLINE | ID: mdl-26193758

ABSTRACT

OBJECTIVES: Most of the cosmetic compounds with preservative properties available in the market pose some risks concerning safety, such as the possibility of causing sensitization. Due to the fact that there are few options, the proper development of new molecules with this purpose is needed. Xylitol is a natural sugar, and the antimicrobial properties of xylitol-derived compounds have already been described in the literature. C-8 xylitol monoester and xylitol phosphate esters may be useful for the development of skincare products. As an initial screen for safety of chemicals, the combination of in silico methods and in vitro testing can aid in prioritizing resources in toxicological investigations while reducing the ethical and monetary costs that are related to animal and human testing. This study was designed to evaluate the safety of C-8 xylitol monoester and xylitol phosphate esters regarding carcinogenicity, mutagenicity, skin and eye irritation/corrosion and sensitization through alternative methods. METHODS: For the initial safety assessment, quantitative structure-activity relationship methodology was used. The prediction of the parameters carcinogenicity/mutagenicity, skin and eye irritation/corrosion and sensitization was generated from the chemical structure. The analysis also comprised physical-chemical properties, Cramer rules, threshold of toxicological concern and Michael reaction. In silico results of candidate molecules were compared to 19 compounds with preservative properties that are available in the market. Additionally, in vitro tests (Ames test for mutagenicity, cytotoxicity and phototoxicity tests and hen's egg test--chorioallantoic membrane for irritation) were performed to complement the evaluation. RESULTS: In silico evaluation of both molecules presented no structural alerts related to eye and skin irritation, corrosion and sensitization, but some alerts for micronucleus and carcinogenicity were detected. However, by comparison, C-8 xylitol monoester, xylitol phosphate esters showed similar or better results than the compounds available in the market. Concerning experimental data, phototoxicity and mutagenicity results were negative. As expected for compounds with preservative activity, xylitol-derived substances presented positive result in cytotoxicity test. In hen's egg test, both molecules were irritants. CONCLUSION: Our results suggested that xylitol-derived compounds appear to be suitable candidates for preservative systems in cosmetics.


Subject(s)
Cosmetics/adverse effects , Xylitol/chemistry , 3T3 Cells , Animals , Cells, Cultured , Esters/chemistry , Humans , Mice , Preservatives, Pharmaceutical
11.
Int Forum Allergy Rhinol ; 4(6): 435-46, 2014 Jun.
Article in English | MEDLINE | ID: mdl-24664528

ABSTRACT

BACKGROUND: Nasal airflow is essential for the functioning of the human nose. Given individual variation in nasal anatomy, there is yet no consensus what constitutes normal nasal airflow patterns. We attempt to obtain such information that is essential to differentiate disease-related conditions. METHODS: Computational fluid dynamics (CFD) simulated nasal airflow in 22 healthy subjects during resting breathing. Streamline patterns, airflow distributions, velocity profiles, pressure, wall stress, turbulence, and vortical flow characteristics under quasi-steady state were analyzed. Patency ratings, acoustically measured minimum cross-sectional area (MCA), and rhinomanometric nasal resistance (NR) were examined for potential correlations with morphological and airflow-related variables. RESULTS: Common features across subjects included: >50% total pressure drop reached near the inferior turbinate head; wall shear stress, NR, turbulence energy, and vorticity were lower in the turbinate than in the nasal valve region. However, location of the major flow path and coronal velocity distributions varied greatly across individuals. Surprisingly, on average, more flow passed through the middle than the inferior meatus and correlated with better patency ratings (r = -0.65, p < 0.01). This middle flow percentage combined with peak postvestibule nasal heat loss and MCA accounted for >70% of the variance in subjective patency ratings and predicted patency categories with 86% success. Nasal index correlated with forming of the anterior dorsal vortex. Expected for resting breathing, the functional impact for local and total turbulence, vorticity, and helicity was limited. As validation, rhinomanometric NR significantly correlated with CFD simulations (r = 0.53, p < 0.01). CONCLUSION: Significant variations of nasal airflow found among healthy subjects; Key features may have clinically relevant applications.


Subject(s)
Computational Biology/methods , Computer Simulation , Hydrodynamics , Nose/anatomy & histology , Adult , Diagnosis, Differential , Ethnicity , Female , Humans , Male , Respiration , Rhinomanometry , Tomography, X-Ray Computed , Young Adult
12.
Poult Sci ; 93(1): 221-30, 2014 Jan.
Article in English | MEDLINE | ID: mdl-24570443

ABSTRACT

Salmonellosis outbreaks in Europe, the United States, and Latin America have been associated with contaminated food derivatives including meat from the poultry industry. Salmonella grown under iron-limiting conditions has the capability to increase concentration of several iron-regulated outer-membrane proteins to augment the acquisition of the metal. These proteins have been proved to have immunogenic properties. Our aim was to increase the relative expression of iroN, fepA, and cirA in Salmonella Enteritidis domestic strain. Furthermore, we proposed a 3-dimensional structure model for each protein to predict and locate antigenic peptides. Our eventual objective is to produce an effective vaccine against regional avian salmonellosis. Two simple factorial designs were carried out to discriminate between 2 nitrogen sources and determine chelating-agent addition timing to augment relative gene expression. Two antigenic peptides located at the external face of each protein and 2 typical domains of iron-regulated outer-membrane proteins, plug and TonB-dep-Rec, were identified from the 3-dimensional models. Tryptone was selected as the best nitrogen source based on growth rate (µx = 0.36 h(-1)) and biomass productivity (Px = 0.9 g•h(-1)•L(-1)) as determined by a general factorial design. Optimum timing for chelating agent addition was in the middle of the log phase, which allowed relative expressions at 4 h of culture. Increase in iroN, fepA, and cirA relative expression was favored by the length of log phase and the addition of chelating agent, which decreased chelating toxicity and enhanced cell growth rate.


Subject(s)
Bacterial Proteins/metabolism , Computer Simulation , Gene Expression Regulation, Bacterial/drug effects , Iron/pharmacology , Salmonella enteritidis/metabolism , Amino Acid Sequence , Bacterial Proteins/genetics , Chelating Agents/pharmacology , Models, Biological , Models, Molecular , Molecular Sequence Data , Nitrogen/metabolism , Protein Conformation , Salmonella enteritidis/drug effects , Salmonella enteritidis/genetics
13.
Materials (Basel) ; 6(11): 4967-4984, 2013 Oct 30.
Article in English | MEDLINE | ID: mdl-28788370

ABSTRACT

A description of methods and computer programs for the prediction of "coupling properties" in axially-textured polycrystals is presented. Starting data are the single-crystal properties, texture and stereography. The validity and proper protocols for applying the Voigt, Reuss and Hill approximations to estimate coupling properties effective values is analyzed. Working algorithms for predicting mentioned averages are given. Bunge's symmetrized spherical harmonics expansion of orientation distribution functions, inverse pole figures and (single and polycrystals) physical properties is applied in all stages of the proposed methodology. The established mathematical route has been systematized in a working computer program. The discussion of piezoelectricity in a representative textured ferro-piezoelectric ceramic illustrates the application of the proposed methodology. Polycrystal coupling properties, predicted by the suggested route, are fairly close to experimentally measured ones.

14.
Rev. cuba. invest. bioméd ; 30(1): 171-192, ene.-mar. 2011.
Article in Spanish | LILACS | ID: lil-615389

ABSTRACT

Las osteocondrosis son enfermedades que afectan al esqueleto en crecimiento y que en sus estados avanzados producen deformaciones y cambios de los patrones de actividad física y movimiento del individuo. Para lograr una intervención terapéutica efectiva o detectar la enfermedad en sus estados iniciales, es necesario conocer su etiología, la cual sigue siendo incierta y generalmente se cataloga simplemente como multifactorial e idiopática. Como se trata de enfermedades del crecimiento óseo, los mismos factores responsables de este tienen efectos sobre la patogénesis de la enfermedad; dentro de estos se incluyen las cargas mecánicas a las que están sometidos los huesos. En las últimas décadas se han desarrollado modelos computacionales para modelar el efecto de los factores mecánicos sobre el crecimiento de los huesos, los cuales han permitido mejorar la comprensión de las implicaciones mecánicas asociadas al crecimiento y se han correspondido con las observaciones experimentales. En este artículo se muestra una revisión del conocimiento actual del proceso de crecimiento óseo, la etiología de las osteocondrosis y algunos modelos computacionales, que con ciertas modificaciones o mejoras pudieran emplearse en el futuro para modelar el transcurso de la enfermedad.


The osteochondroses are diseases affecting the developing skeleton and that in its advanced stages provoke deformations and changes of physical activity and movement patterns of the subjects. To achieve an effectiveness therapeutic intervention or to detect the diseases in its earliest stagers, it is necessary to know it etiology, which remains uncertain and generally it is classes as mulfifactor and idiopathic. Since they are bone growth diseases, these same responsible factors influenced on the disease pathogenesis including the mechanical loads underwent by bones. In past decades computer models have been developed to represent the mechanic factors on the bone growth allowing us to improve the understanding of mechanic implications associated to growth which corresponding with the experimental observations. In present paper is shown a review of current knowledge on boner growth process, osteochondrosis etiology and some computer models which, with some modifications or improvements, could be used in the future to modeling the disease course.

15.
An. acad. bras. ciênc ; 81(4): 707-714, Dec. 2009. graf
Article in English | LILACS | ID: lil-529932

ABSTRACT

An agent-based computer simulation of death by inheritable mutations in a changing environment shows a maximal population, or avoids extinction, at some intermediate mutation rate of the individuals. Our results indicate that death seems needed to allow for evolution of the fittest, as required by a changing environment.


Simulação computacional de agentes individuais que se reproduzem e morrem por acúmulo de mutações herdadas mostra um máximo da população ou evita extinção, para taxas de mutação intermediárias. Assim, as mortes parecem necessárias para a evolução dos mais adaptados a um ambiente mutante.


Subject(s)
Female , Humans , Male , Computer Simulation , Models, Genetic , Mutation/genetics , Population Dynamics , Selection, Genetic/genetics , Genetics, Population , Monte Carlo Method , Phenotype , Population Density , Quantitative Trait, Heritable
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