CT-FEM of the human thorax: Frequency response function and 3D harmonic analysis at resonance.

BACKGROUND AND OBJECTIVE: High-frequency chest wall compression (HFCC) therapy by airway clearance devices (ACDs) acts on the rheological properties of bronchial mucus to assist in clearing pulmonary secretions. Investigating low-frequency vibrations on the human thorax through numerical simulations is critical to ensure consistency and repeatability of studies by reducing extreme variability in body measurements across individuals. This study aims to present the numerical investigation of the harmonic acoustic excitation of ACDs on the human chest as a gentle and effective HFCC therapy. METHODS: Four software programs were sequentially used to visualize medical images, decrease the number of surfaces, generate and repair meshes, and conduct numerical analysis, respectively. The developed methodology supplied the validation of the effect of HFCC through computed tomography-based finite element analysis (CT-FEM) of a human thorax. To illustrate the vibroacoustic characteristics of the HFCC therapy device, a 146-decibel sound pressure level (dBSPL) was applied on the back-chest surface of the model. Frequency response function (FRF) across 5-100 Hz was analyzed to characterize the behaviour of the human thorax with the state-space model. RESULTS: We discovered that FRF pertaining to accelerance equals 0.138 m/s2N at the peak frequency of 28 Hz, which is consistent with two independent experimental airway clearance studies reported in the literature. The state-space model assessed two apparent resonance frequencies at 28 Hz and 41 Hz for the human thorax. The total displacement, kinetic energy density, and elastic strain energy density were furthermore quantified at 1 µm, 5.2 µJ/m3, and 140.7 µJ/m3, respectively, at the resonance frequency. In order to deepen our understanding of the impact on internal organs, the model underwent simulations in both the time domain and frequency domain for a comprehensive analysis. CONCLUSION: Overall, the present study enabled determining and validating FRF of the human thorax to roll out the inconsistencies, contributing to the health of individuals with investigating gentle but effective HFCC therapy conditions with ACDs. This innovative finding furthermore provides greater clarity and a tangible understanding of the subject by simulating the responses of CT-FEM of the human thorax and internal organs at resonance.

Tailored ethylenediamine-functionalized graphene oxide membrane on kaolin hollow fibers for pectin concentration.

Pectin is a valuable product that can be extracted from waste fruit peels. Here we propose the use of graphene oxide (GO)-based membranes for pectin concentration. The synthesized GO was functionalized with ethylenediamine (EDA) to molecularly design the GO framework. Kaolin hollow fibers with asymmetric pore distribution were used as a porous substrate for GO/EDA deposition. A GO/EDA layer with a thickness of 2.86 ± 0.24 µm was assembled on the substrate by the simple vacuum-assisted deposition method. After GO/EDA depositions, the water permeance of the pristine kaolin hollow fibers reduced from 8.46 ± 0.17 to 0.52 ± 0.03 L h-1·m-2·kPa-1. A pectin aqueous extract from orange peels was filtered at cross-flow mode through the prepared membranes and the steady-state fluxes through pristine and GO/EDA-coated hollow fibers were 56 ± 2 and 20 ± 3 L h-1 m-2, respectively. The GO/EDA-coated membrane presented greater pectin selectivity than the pristine hollow fiber. The GO/EDA-coated hollow fiber concentrated the galacturonic acid, phenolic, and methoxyl contents in 19.5, 17.4, and 29.2 %, respectively. Thus, filtration through the GO/EDA-based membrane is a suitable alternative for pectin concentration.

Emerging Trends of Computational Chemistry and Molecular Modeling in Froth Flotation: A Review.

Froth flotation is the most versatile process in mineral beneficiation, extensively used to concentrate a wide range of minerals. This process comprises mixtures of more or less liberated minerals, water, air, and various chemical reagents, involving a series of intermingled multiphase physical and chemical phenomena in the aqueous environment. Today's main challenge facing the froth flotation process is to gain atomic-level insights into the properties of its inherent phenomena governing the process performance. While it is often challenging to determine these phenomena via trial-and-error experimentations, molecular modeling approaches not only elicit a deeper understanding of froth flotation but can also assist experimental studies in saving time and budget. Thanks to the rapid development of computer science and advances in high-performance computing (HPC) infrastructures, theoretical/computational chemistry has now matured enough to successfully and gainfully apply to tackle the challenges of complex systems. In mineral processing, however, advanced applications of computational chemistry are increasingly gaining ground and demonstrating merit in addressing these challenges. Accordingly, this contribution aims to encourage mineral scientists, especially those interested in rational reagent design, to become familiarized with the necessary concepts of molecular modeling and to apply similar strategies when studying and tailoring properties at the molecular level. This review also strives to deliver the state-of-the-art integration and application of molecular modeling in froth flotation studies to assist either active researchers in this field to disclose new directions for future research or newcomers to the field to initiate innovative works.

Sono-Photocatalytic Activity of Cloisite 30B/ZnO/Ag2O Nanocomposite for the Simultaneous Degradation of Crystal Violet and Methylene Blue Dyes in Aqueous Media.

A new nanocomposite based on Cloisite 30B clay modified with ZnO and Ag2O nanoparticles (Cloisite 30B/ZnO/Ag2O) was synthesized as an effective catalyst in the sono-photocatalytic process of crystal violet (CV) and methylene blue (MB) dyes simultaneously. The characteristics and catalytic activity of Cloisite 30B/ZnO/Ag2O nanocomposite were investigated under different conditions. The specific active surface for Cloisite 30B/ZnO/Ag2O nanocomposite was 18.29 m2/g. Additionally, the catalytic activity showed that Cloisite 30B/ZnO/Ag2O nanocomposite (CV: 99.21%, MB: 98.43%) compared to Cloisite 30B/Ag2O (CV: 85.38%, MB: 83.62%) and Ag2O (CV: 68.21%, MB: 66.41%) has more catalytic activity. The catalytic activity of Cloisite 30B/ZnO/Ag2O using the sono-photocatalytic process had the maximum efficiency (CV: 99.21%, MB: 98.43%) at pH 8, time of 50 min, amount of 40 mM H2O2, catalyst dose of 0.5 g/L, and the concentration of 'CV + MB' of 5 mg/L. The catalyst can be reused in the sono-photocatalytic process for up to six steps. According to the results, •OH and h+ were effective in the degradation of the desired dyes using the desired method. Data followed the pseudo-first-order kinetic model. The method used in this research is an efficient and promising method to remove dyes from wastewater.

Emerging investigator series: microplastic sources, fate, toxicity, detection, and interactions with micropollutants in aquatic ecosystems - a review of reviews.

Hundreds of review studies have been published focusing on microplastics (MPs) and their environmental impacts. With the microbiota colonization of MPs being firmly established, MPs became an important carrier for contaminants to step inside the food web all the way up to humans. Thus, the continuous feed of MPs into the ecosystem has sparked a multitude of scientific concerns about their toxicity, characterization, and interactions with microorganisms and other contaminants. The reports of common subthemes have agreed about many findings and research gaps but also showed contradictions about others. To unravel these equivocal conflicts, we herein compile all the major findings and analyze the paramount discrepancies among these review papers. Furthermore, we systematically reviewed all the highlights, research gaps, concerns, and future needs. The covered focus areas of MPs' literature include the sources, occurrence, fate, existence, and removal in wastewater treatment plants (WWTPs), toxicity, interaction with microbiota, sampling, characterization, data quality, and interaction with other co-contaminants. This study reveals that many mechanisms of MPs' behavior in aquatic environments like degradation and interaction with microbiota are yet to be comprehended. Furthermore, we emphasize the critical need to standardize methods and parameters for MP characterization to improve the comparability and reproducibility of the incoming research.

Portable, stable, and sensitive assay to detect phosphate in water with gold nanoparticles (AuNPs) and dextran tablet.

A novel and highly sensitive tablet-based colorimetric sensor is developed for the detection of phosphate (Pi) in drinking and surface water using mercaptoacetic acid-capped gold nanoparticles (MA-AuNPs). Characterization of AuNPs and MA-AuNPs was achieved by ultraviolet-visible (UV-Vis) spectroscopy, Fourier transform infrared spectroscopy (FTIR), Transmission electron microscopy (TEM) and Dynamic light scattering (DLS). The principle of this sensor is based on the aggregation and disaggregation mechanisms of AuNPs that result in a color change from blue to red due to the surface plasmon resonance effect, where europium ions (Eu3+) act as the aggregating agent. Herein, dextran is used to encapsulate the Eu3+ ions into a tablet format to make the detection system user friendly. Hence, the sensor only requires dissolving a Eu3+-dextran tablet into the water sample and subsequently adding MA-AuNPs for the colorimetric quantification of phosphate. This assay is very sensitive with a calculated detection limit of 0.3 µg L-1 and an upper detection limit of 26 µg L-1, while 10 µg L-1 is the allowable limit of Pi in drinking water. A comparative study with a conventional Hach kit confirmed the accuracy of our sensor. Also, real water samples from river, lake, and tap sources were tested to examine the sensor's applicability towards commercialization. The assay did not interfere with common ions in water, thus being Pi-specific, and the performance of the assay was stable for up to at least three weeks. Overall, our new approach provides a simple, stable, rapid, low-cost and promising device for Pi detection in water.

Visible-light-driven photocatalytic disinfection of raw surface waters (300-5000 CFU/mL) using reusable coated Ru/WO3/ZrO2.

We selected ruthenium (Ru) to improve the photocatalytic activity of a WO3/ZrO2 composite. The synthesized Ru/WO3/ZrO2 was then compared to a benchmark photocatalyst (S-TiO2) in terms of photocatalytic disinfection of raw surface waters collected from the Nile Delta region, Egypt. The photocatalysts were immobilized on aluminum plates with polysiloxane to test them in repetitive cycles under the irradiation of a metal-halide lamp. Bacterial concentrations in the raw waters ranged from 300 to 5000 CFU/mL (CFU: colony-forming units) and different species and genus were detected including gram-negative (e.g., shigella, salmonella, vibrio parahaemolyticus, and vibrio cholera) and gram-positive bacteria (e.g., enterococcus). Ru/WO3/ZrO2 deactivated over 90 % of the bacterial content within 120 min for most sources, whereas S-TiO2 did not perform as highly. The bacterial count after 240 min of irradiation was below the detection limit for all different water sources. Moreover, the inhabitation of photocatalytic disinfection by natural organic matter (NOM) was investigated. Ru/WO3/ZrO2 was stable for four continuous cycles (960 min in total), suggesting the viability for practical application.

Influence of frequency and amplitude on the mucus viscoelasticity of the novel mechano-acoustic Frequencer™.

BACKGROUND: Cystic fibrosis affects 1/3200 Caucasians. This genetic disease disturbs the ion and water homeostasis across epithelia, thus rendering mucus more viscous and harder to expel. Conventional treatments rely on the clapping method coupled with postural drainage. Despite the effectiveness of these procedures, they are invasive and enervating. METHODS: Here we study a new mechano-acoustic treatment device to help patients expectorate excess mucus, the Frequencer™. We test both normal and pathological synthetic mucin solutions (1 % and 4 % by weight) in vitro. We varied the frequency applied (from 20 Hz to 60 Hz) as well as the amplitude (from 50 % to 100 % intensity). Moreover, we assessed the effect of NaCl on mucus rehydration. RESULTS: A frequency of 40 Hz coupled with a 0.5 gL-1NaCl solution provokes partial mucus rehydration, regardless of the amplitude selected, as the work of adhesion measurements evidenced. CONCLUSIONS: Mechanical solicitation is fundamental to help patients affected by cystic fibrosis expectorate mucus. With an operating frequency of 20 Hz to 65 Hz, the Frequencer™ provides a gentler therapy than traditional methods (conventional chest physiotherapy). The Frequencer™ proved to be effective in the homogenization of synthetic mucin solutions in vitro in 20 min and elicited improved effectiveness in a mucin-rich environment.

Ultrasound-assisted extraction of bioactive compounds from green tea leaves and clarification with natural coagulants (chitosan and Moringa oleífera seeds).

In this study, a sequential process of extraction and clarification by natural coagulants and centrifugation successfully produced green tea extracts clear and enriched in bioactive compounds. Desirability function methodology was applied to optimize ultrasound-assisted extraction (UAE) of total polyphenols and flavonoids by the evaluation of the parameters temperature (22-83 °C), tea-to-water ratio (12-73 g  L-1) and amplitude (23-77%). Green tea clarification was carried out using the extract at UAE optimized conditions (77, 73 g L-1, 77%). The effect of centrifugation and the concentrations of chitosan (25-2000 mg L-1) and Moringa oleífera seeds (MOS) (100-10000 mg L-1) were evaluated. The best clarification conditions were at the concentrations of chitosan 500 mg L-1 and MOS 8000 mg L-1 followed by centrifugation. These optimized clarification conditions provided turbidity, solids and polyphenols reduction of 95% and 96%, 16 and 16%, 18 and 19% for chitosan and MOS treatments, respectively. The main individual compounds identified by high liquid chromatography (HPLC) were epigallocatechin gallate, epicatechin, epigallocatechin and catechin, gallic acid and caffeine.