Dynamic stability of the euler nanobeam subjected to inertial moving nanoparticles based on the nonlocal strain gradient theory.

This research studied the dynamic stability of the Euler-Bernoulli nanobeam considering the nonlocal strain gradient theory (NSGT) and surface effects. The nanobeam rests on the Pasternak foundation and a sequence of inertial nanoparticles passes above the nanobeam continuously at a fixed velocity. Surface effects have been utilized using the Gurtin-Murdoch theory. Final governing equations have been gathered implementing the energy method and Hamilton's principle alongside NSGT. Dynamic instability regions (DIRs) are drawn in the plane of mass-velocity coordinates of nanoparticles based on the incremental harmonic balance method (IHBM). A parametric study shows the effects of NSGT parameters and Pasternak foundation constants on the nanobeam's DIRs. In addition, the results exhibit the importance of 2T-period DIRs in comparison to T-period ones. According to the results, the Winkler spring constant is more effective than the Pasternak shear constant on the DIR movement of nanobeam. So, a 4 times increase of Winkler and Pasternak constants results in 102 % and 10 % of DIR movement towards higher velocity regions, respectively. Furthermore, the effect of increasing nonlocal and material length scale parameters on the DIR movement are in the same order regarding the magnitude but opposite considering the motion direction. Unlike nonlocal parameter, an increase in material length scale parameter shifts the DIR to the more stable region.

The impact of acute and chronic aerobic and resistance exercise on stem cell mobilization: A review of effects in healthy and diseased individuals across different age groups.

Stem cells (SCs) play a crucial role in tissue repair, regeneration, and maintaining physiological homeostasis. Exercise mobilizes and enhances the function of SCs. This review examines the effects of acute and chronic aerobic and resistance exercise on the population of SCs in healthy and diseased individuals across different age groups. Both acute intense exercise and moderate regular training increase circulating precursor cells CD34+ and, in particular, the subset of angiogenic progenitor cells (APCs) CD34+/KDR+. Conversely, chronic exercise training has conflicting effects on circulating CD34+ cells and their function, which are likely influenced by exercise dosage, the health status of the participants, and the methodologies employed. While acute activity promotes transient mobilization, regular exercise often leads to an increased number of progenitors and more sustainable functionality. Short interventions lasting 10-21 days mobilize CD34+/KDR + APCs in sedentary elderly individuals, indicating the inherent capacity of the body to rapidly activate tissue-reparative SCs during activity. However, further investigation is needed to determine the optimal exercise regimens for enhancing SC mobilization, elucidating the underlying mechanisms, and establishing functional benefits for health and disease prevention. Current evidence supports the integration of intense exercise with chronic training in exercise protocols aimed at activating the inherent regenerative potential through SC mobilization. The physical activity promotes endogenous repair processes, and research on exercise protocols that effectively mobilize SCs can provide innovative guidelines designed for lifelong tissue regeneration. An artificial neural network (ANN) was developed to estimate the effects of modifying elderly individuals and implementing chronic resistance exercise on stem cell mobilization and its impact on individuals and exercise. The network's predictions were validated using linear regression and found to be acceptable compared to experimental results.

Using of artificial neural networks and different evolutionary algorithms to predict the viscosity and thermal conductivity of silica-alumina-MWCN/water nanofluid.

This study predicts the parameters such as viscosity and thermal conductivity in silica-alumina-MWCN/water nanofluid using the artificial intelligence method and using design variables such as solid volume fraction and temperature. In this study, 6 optimization algorithms were used to predict and numerically model the µnf and TC of silica-alumina-MWCNT/water-NF. In this study, six measurement criteria were used to evaluate the estimates obtained from the coupling process of GMDH ANN with each of these 6 optimization algorithms. The results reveal that the influence of the φ is notably higher on both µnf and TC with values of 0.83 for µnf and 0.92 for TC, while Temp has a relatively weaker impact with -0.5 for µnf and 0.38 for TC. Among various algorithms, the coupling of the evolutionary algorithm NSGA II with ANN and GMDH performs best in predicting µnf and TC for the NF, with a maximum margin of deviation of -0.108 and an R2 evaluation criterion of 0.99996 for µnf and 1 for TC, indicating exceptional model accuracy. In the subsequent phase, a meta-heuristic Genetic Algorithm minimizes µnf and TC values. Four points (A, B, C, and D) along the Pareto front are selected, with point A representing the optimal state characterized by low values of φ and Temp (0.0002 and 50.8772, respectively) and corresponding target function values of 0.9988 for µnf and 0.6344 for TC. In contrast, point D represents the highest values of φ and Temp (0.49986 and 59.9775, respectively) and yields target function values of 2.382 for µnf and 0.8517 for TC. This analysis aids in identifying the optimal operating conditions for maximizing NF performance.

Comparison of the mechanical characteristics of produced nanofibers by electrospinning process based on different collectors.

Polymer nanofiber in nanofibrous membrane produced by electrospinning process can be employed in various fields such as medical engineering, environmental engineering, biotechnology, energy, tissue scaffolds, and protective clothing. In these applications, the mechanical properties of the nanofibrous membrane should be studied to get long-life durability. In the current study, nanofibers are obtained from electrospinning of polyacrylonitrile (PAN) solution in Dimethylformamide (DFM) solvent. Nanofibers are produced with disc, cylinder, wire drum, parallel bars and polygon collectors and their mechanical properties are examined and compared. For this study, a tensile testing machine with special jaws was applied. According to the Scanning Electron Microscope (SEM) images, the average diameter of the produced nanofibers ranges from 300 to 340 nm. In addition, nanofiber layers have a thickness of 0.03 mm. They were cut in the 10 × 25 mm2 size; then, the tensile test was performed. Results show that produced nanofiber layers by rotating cylinder collector have the highest ultimate strength while the disk collector results in the highest Young's modulus in produced samples.

Application of a Novel Green Nano Polymer for Chemical EOR Purposes in Sandstone Reservoirs: Synergetic Effects of Different Fluid/Fluid and Rock/Fluid Interacting Mechanisms.

In this research, a novel natural-based polymer, the Aloe Vera biopolymer, is used to improve the mobility of the injected water. Unlike most synthetic chemical polymers used for chemical-enhanced oil recovery, the Aloe Vera biopolymer is environmentally friendly, thermally stable in reservoir conditions, and compatible with reservoir rock and fluids. In addition, the efficiency of the Aloe Vera biopolymer was investigated in the presence of a new synthetic nanocomposite composed of KCl-SiO2-xanthan. This chemically enhanced oil recovery method was applied on a sandstone reservoir in Southwest Iran with crude oil with an API gravity of 22°. The Aloe Vera biopolymer's physicochemical characteristics were initially examined using different analytical instruments. The results showed that the Aloe Vera biopolymer is thermally stable under reservoir conditions. In addition, no precipitation occurred with the formation brine at the salinity of 80,000 ppm. The experimental results showed that adding ethanol with a 10% volume percentage reduced interfacial tension to 15.3 mN/m and contact angle to 108°, which was 52.33 and 55.56% of these values, respectively. On the other hand, adding nanocomposite lowered interfacial tension and contact angle values to 4 mN/m and 48°, corresponding to reducing these values by 87.53 and 71.42%, respectively. The rheology results showed that the solutions prepared by Aloe Vera biopolymer, ethanol, and nanocomposite were Newtonian and fitted to the Herschel-Bulkley model. Finally, core flooding results showed that the application of a solution prepared by Aloe Vera biopolymer, ethanol, and nanocomposite was effective in increasing the oil recovery factor, where the maximum oil recovery factor of 73.35% was achieved, which could be attributed to the IFT reduction, wettability alteration, and mobility improvement mechanisms.

Analysis of Conocurvone, Ganoderic acid A and Oleuropein molecules against the main protease molecule of COVID-19 by in silico approaches: Molecular dynamics docking studies.

Traditional medicines against COVID-19 have taken important outbreaks evidenced by multiple cases, controlled clinical research, and randomized clinical trials. Furthermore, the design and chemical synthesis of protease inhibitors, one of the latest therapeutic approaches for virus infection, is to search for enzyme inhibitors in herbal compounds to achieve a minimal amount of side-effect medications. Hence, the present study aimed to screen some naturally derived biomolecules with anti-microbial properties (anti-HIV, antimalarial, and anti-SARS) against COVID-19 by targeting coronavirus main protease via molecular docking and simulations. Docking was performed using SwissDock and Autodock4, while molecular dynamics simulations were performed by the GROMACS-2019 version. The results showed that Oleuropein, Ganoderic acid A, and conocurvone exhibit inhibitory actions against the new COVID-19 proteases. These molecules may disrupt the infection process since they were demonstrated to bind at the coronavirus major protease's active site, affording them potential leads for further research against COVID-19.

Effect of a mobile-based educational app on blood pressure of patients with hypertension.

BACKGROUND: Hypertension is known as one of the most important non-communicable pervasive diseases. OBJECTIVE: The purpose of the present study was to determine the effect of a mobile-based educational app on the blood pressure (BP) of patients with hypertension. METHODS: This clinical trial was conducted on 66 military personnel who were definitively diagnosed with hypertension by a physician, and then assigned randomly into two groups as intervention (receiving mobile-based educational app) and control (receiving standard medical management but no app). Before the intervention, BP levels of both groups were measured with a calibrated sphygmomanometer. After 6 weeks, the BPs of both groups were remeasured using the same sphygmomanometer. Thereafter, descriptive and inferential statistics, including paired t-test, Mann-Whitney, Chi-square and Wilcoxon tests, were used. The data obtained were analysed using SPSS-21 software at a significance level of p<0.05. RESULTS: Comparison of the intervention and control groups showed no statistically significant difference between the groups in systolic BP (p=0.479) and diastolic BP (p=0.851) in the pre-intervention phase, but after the intervention, systolic and diastolic BP levels were significantly lower in the intervention group than in the control group (p=0.0001). CONCLUSION: The results suggested that the mobile-based educational app had a significant effect on reducing BP in patients with hypertension. Therefore, using this app is recommended for those military personnel with hypertension.

Retraction notice to "Analysis of Conocurvone, Ganoderic acid A and Oleuropein molecules against the main protease molecule of COVID-19 by in silico approaches: Molecular dynamics docking studies" [Engineering Analysis with Boundary Elements volume 150 (2023) Pages 583-598].

[This retracts the article DOI: 10.1016/j.enganabound.2023.02.043.].

Insight into Nano-chemical Enhanced Oil Recovery from Carbonate Reservoirs Using Environmentally Friendly Nanomaterials.

The use of nanoparticles (NPs) in enhanced oil recovery (EOR) processes is very effective in reducing the interfacial tension (IFT) and surface tension (ST) and altering the wettability of reservoir rocks. The main purpose of this study was to use the newly synthesized nanocomposites (KCl/SiO2/Xanthan NCs) in EOR applications. Several analytical techniques including X-ray diffraction (XRD), Fourier transform infrared spectroscopy (FTIR), and scanning electron microscope (SEM) were applied to confirm the validity of the synthesized NCs. From the synthesized NCs, nanofluids were prepared at different concentrations of 100-2000 ppm and characterized using electrical conductivity, IFT, and ST measurements. From the obtained results, it can be observed that 1000 ppm is the optimal concentration of the synthesized NCs that had the best performance in EOR applications. The nanofluid with 1000 ppm KCl/SiO2/Xanthan NCs enabled reducing the IFT and ST from 33 and 70 to 29 and 40 mN/m, respectively. However, the contact angle was highly decreased under the influence of the same nanofluid to 41° and the oil recovery improved by an extra 17.05% OOIP. To sum up, KCl/SiO2/Xanthan NCs proved highly effective in altering the wettability of rocks from oil-wet to water-wet and increasing the cumulative oil production.

Polysaccharide-based nanocomposites for biomedical applications: a critical review.

Polysaccharides (PSA) have taken specific position among biomaterials for advanced applications in medicine. Nevertheless, poor mechanical properties are known as the main drawback of PSA, which highlights the need for PSA modification. Nanocomposites PSA (NPSA) are a class of biomaterials widely used as biomedical platforms, but despite their importance and worldwide use, they have not been reviewed. Herein, we critically reviewed the application of NPSA by categorizing them into generic and advanced application realms. First, the application of NPSA as drug and gene delivery systems, along with their role in the field as an antibacterial platform and hemostasis agent is discussed. Then, applications of NPSA for skin, bone, nerve, and cartilage tissue engineering are highlighted, followed by cell encapsulation and more critically cancer diagnosis and treatment potentials. In particular, three features of investigations are devoted to cancer therapy, i.e., radiotherapy, immunotherapy, and photothermal therapy, are comprehensively reviewed and discussed. Since this field is at an early stage of maturity, some other aspects such as bioimaging and biosensing are reviewed in order to give an idea of potential applications of NPSA for future developments, providing support for clinical applications. It is well-documented that using nanoparticles/nanomaterials above a critical concentration brings about concerns of toxicity; thus, their effect on cellular interactions would become critical. We compared nanoparticles used in the fabrication of NPSA in terms of toxicity mechanism to shed more light on future challenging aspects of NPSA development. Indeed, the neutralization mechanisms underlying the cytotoxicity of nanomaterials, which are expected to be induced by PSA introduction, should be taken into account for future investigations.

Polydopamine Biomaterials for Skin Regeneration.

Designing biomaterials capable of biomimicking wound healing and skin regeneration has been receiving increasing attention recently. Some biopolymers behave similarly to the extracellular matrix (ECM), supporting biointerfacial adhesion and intrinsic cellular interactions. Polydopamine (PDA) is a natural bioadhesive and bioactive polymer that endows high chemical versatility, making it an exciting candidate for a wide range of biomedical applications. Moreover, biomaterials based on PDA and its derivatives have near-infrared (NIR) absorption, excellent biocompatibility, intrinsic antioxidative activity, antibacterial activity, and cell affinity. PDA can regulate cell behavior by controlling signal transduction pathways. It governs the focal adhesion behavior of cells at the biomaterials interface. These features make melanin-like PDA a fascinating biomaterial for wound healing and skin regeneration. This paper overviews PDA-based biomaterials' synthesis, properties, and interactions with biological entities. Furthermore, the utilization of PDA nano- and microstructures as a constituent of wound-dressing formulations is highlighted.

Effect of oxalic acid and sulphuric acid hydrolysis on the preparation and properties of pineapple pomace derived cellulose nanofibers and nanopapers.

Nanocellulose is the "green magnet" which attracts a wide spectrum of industries towards it due to its availability, biodegradability, and possible smart applications. For the first time, pineapple pomace was being explored as an economic precursor for cellulose nanofibers. Nanofiber isolation was accomplished using a chemo-mechanical method and solution casting was adopted for the development of nanopapers. Moreover, the study examines the structural, optical, crystalline, dimensional, and thermal features of nanofibers isolated using different acid hydrolysis (oxalic acid and sulphuric acid) methods. Fourier-transform infra-red spectroscopy, 13C solid-state nuclear magnetic resonance spectroscopy, and X-ray diffraction analysis indicated the presence of type I cellulose. The transmittance, crystallinity index, and thermal stability of PPNFS (sulphuric acid treated fiber) were greater than PPNFO (oxalic acid treated fiber). The transmission electron microscopy and dynamic light scattering analysis confirmed the nanodimension of PPNFO and PPNFS. While comparing the optical and mechanical properties of nanopapers, PPNFS outperforms PPNFO. The tensile strength of the prepared nanopapers (64 MPa (PPNFO) and 68 MPa (PPNFS)) was found to be high compared to similar works reported in the literature. The prepared nanopaper is proposed to be used for food packaging applications.

Cell-Seeded Biomaterial Scaffolds: The Urgent Need for Unanswered Accelerated Angiogenesis.

One of the most arduous challenges in tissue engineering is neovascularization, without which there is a lack of nutrients delivered to a target tissue. Angiogenesis should be completed at an optimal density and within an appropriate period of time to prevent cell necrosis. Failure to meet this challenge brings about poor functionality for the tissue in comparison with the native tissue, extensively reducing cell viability. Prior studies devoted to angiogenesis have provided researchers with some biomaterial scaffolds and cell choices for angiogenesis. For example, while most current angiogenesis approaches require a variety of stimulatory factors ranging from biomechanical to biomolecular to cellular, some other promising stimulatory factors have been underdeveloped (such as electrical, topographical, and magnetic). When it comes to choosing biomaterial scaffolds in tissue engineering for angiogenesis, key traits rush to mind including biocompatibility, appropriate physical and mechanical properties (adhesion strength, shear stress, and malleability), as well as identifying the appropriate biomaterial in terms of stability and degradation profile, all of which may leave essential trace materials behind adversely influencing angiogenesis. Nevertheless, the selection of the best biomaterial and cells still remains an area of hot dispute as such previous studies have not sufficiently classified, integrated, or compared approaches. To address the aforementioned need, this review article summarizes a variety of natural and synthetic scaffolds including hydrogels that support angiogenesis. Furthermore, we review a variety of cell sources utilized for cell seeding and influential factors used for angiogenesis with a concentrated focus on biomechanical factors, with unique stimulatory factors. Lastly, we provide a bottom-to-up overview of angiogenic biomaterials and cell selection, highlighting parameters that need to be addressed in future studies.

Dynamics of Antimicrobial Peptide Encapsulation in Carbon Nanotubes: The Role of Hydroxylation.

INTRODUCTION: Carbon nanotubes (CNTs) have been widely employed as biomolecule carriers, but there is a need for further functionalization to broaden their therapeutic application in aqueous environments. A few reports have unraveled biomolecule-CNT interactions as a measure of response of the nanocarrier to drug-encapsulation dynamics. METHODS: Herein, the dynamics of encapsulation of the antimicrobial peptide HA-FD-13 (accession code 2L24) into CNTs and hydroxylated CNTs (HCNTs) is discussed. RESULTS: The van der Waals (vdW) interaction energy of CNT-peptide and HCNT-peptide complexes decreased, reaching -110.6 and -176.8 kcal.Mol-1, respectively, once encapsulation of the peptide inside the CNTs had been completed within 15 ns. The free energy of the two systems decreased to -43.91 and -69.2 kcal.Mol-1 in the same order. DISCUSSION: The peptide was encased in the HCNTs comparatively more rapidly, due to the presence of both electrostatic and vdW interactions between the peptide and HCNTs. However, the peptide remained encapsulated throughout the vdW interaction in both systems. The negative values of the free energy of the two systems showed that the encapsulation process had occurred spontaneously. Of note, the lower free energy in the HCNT system suggested more stable peptide encapsulation.

Green products from herbal medicine wastes by subcritical water treatment.

Herbal medicine wastes (HMWs) are byproducts of medicine factories, which are mainly landfilled for their environmental problems. Only bearing in mind the contamination and concerns caused by the COVID-19 pandemic and environmental emissions, the worth of herbal medicine wastes management and conversion to green products can be understood. In this work, subcritical water treatment was carried out batch-wise in a stainless tube reactor in the pressure range of 0.792-30.0 MPa, varying the temperature (127-327 °C) and time (1-60 min) of extraction. This resulted in new and green material sources, including organic acids, amino acids, and sugars. Amazingly, at very low extraction times (below 5 min) and high temperatures (above 277 °C), about 99% of HMWs were efficaciously converted to clean products by subcritical hydrothermal treatment. The results of hydrothermal extraction after 5 min indicated that at low temperatures (127-227 °C), the total organic carbon in the aqueous phase increased as the residual solid phase decreased, reaching a peak around 220 °C. Acetone soluble extracts or fat phase appeared above 227 °C and reached a maximum yield of 21% at 357 °C. Aspartic acid, threonine, and glycine were the primary amino acids; glycolic acid, formic acid, lactic acid, and acetic acid were obtained as the main organic acids, glucose, fructose, and cellobiose were substantial sugars produced from the aqueous phase after 5 min of hydrothermal subcritical hydrolysis extraction.

Clickable Polysaccharides for Biomedical Applications: A Comprehensive Review.

Recent advances in materials science and engineering highlight the importance of designing sophisticated biomaterials with well-defined architectures and tunable properties for emerging biomedical applications. Click chemistry, a powerful method allowing specific and controllable bioorthogonal reactions, has revolutionized our ability to make complex molecular structures with a high level of specificity, selectivity, and yield under mild conditions. These features combined with minimal byproduct formation have enabled the design of a wide range of macromolecular architectures from quick and versatile click reactions. Furthermore, copper-free click chemistry has resulted in a change of paradigm, allowing researchers to perform highly selective chemical reactions in biological environments to further understand the structure and function of cells. In living systems, introducing clickable groups into biomolecules such as polysaccharides (PSA) has been explored as a general approach to conduct medicinal chemistry and potentially help solve healthcare needs. De novo biosynthetic pathways for chemical synthesis have also been exploited and optimized to perform PSA-based bioconjugation inside living cells without interfering with their native processes or functions. This strategy obviates the need for laborious and costly chemical reactions which normally require extensive and time-consuming purification steps. Using these approaches, various PSA-based macromolecules have been manufactured as building blocks for the design of novel biomaterials. Clickable PSA provides a powerful and versatile toolbox for biomaterials scientists and will increasingly play a crucial role in the biomedical field. Specifically, bioclick reactions with PSA have been leveraged for the design of advanced drug delivery systems and minimally invasive injectable hydrogels. In this review article, we have outlined the key aspects and breadth of PSA-derived bioclick reactions as a powerful and versatile toolbox to design advanced polymeric biomaterials for biomedical applications such as molecular imaging, drug delivery, and tissue engineering. Additionally, we have also discussed the past achievements, present developments, and recent trends of clickable PSA-based biomaterials such as 3D printing, as well as their challenges, clinical translatability, and future perspectives.

An insight into thermal properties of BC3-graphene hetero-nanosheets: a molecular dynamics study.

Simulation of thermal properties of graphene hetero-nanosheets is a key step in understanding their performance in nano-electronics where thermal loads and shocks are highly likely. Herein we combine graphene and boron-carbide nanosheets (BC3N) heterogeneous structures to obtain BC3N-graphene hetero-nanosheet (BC3GrHs) as a model semiconductor with tunable properties. Poor thermal properties of such heterostructures would curb their long-term practice. BC3GrHs may be imperfect with grain boundaries comprising non-hexagonal rings, heptagons, and pentagons as topological defects. Therefore, a realistic picture of the thermal properties of BC3GrHs necessitates consideration of grain boundaries of heptagon-pentagon defect pairs. Herein thermal properties of BC3GrHs with various defects were evaluated applying molecular dynamic (MD) simulation. First, temperature profiles along BC3GrHs interface with symmetric and asymmetric pentagon-heptagon pairs at 300 K, ΔT = 40 K, and zero strain were compared. Next, the effect of temperature, strain, and temperature gradient (ΔT) on Kaptiza resistance (interfacial thermal resistance at the grain boundary) was visualized. It was found that Kapitza resistance increases upon an increase of defect density in the grain boundary. Besides, among symmetric grain boundaries, 5-7-6-6 and 5-7-5-7 defect pairs showed the lowest (2 × 10-10 m2 K W-1) and highest (4.9 × 10-10 m2 K W-1) values of Kapitza resistance, respectively. Regarding parameters affecting Kapitza resistance, increased temperature and strain caused the rise and drop in Kaptiza thermal resistance, respectively. However, lengthier nanosheets had lower Kapitza thermal resistance. Moreover, changes in temperature gradient had a negligible effect on the Kapitza resistance.

A Computational Fluid Dynamic Study on Efficiency of a Wavy Microchannel/Heat Sink Containing Various Nanoparticles.

In this paper, a common and widely used micro-heat sink (H/S) was redesigned and simulated using computational fluid dynamics methods. This H/S has a large number of microchannels in which the walls are wavy (wavy microchannel heat sink: WMCHS). To improve cooling, two (Al2O3 and CuO) water-based nanofluids (NFs) were used as cooling fluids, and their performance was compared. For this purpose, studies were carried out at three Reynolds numbers (Re) of 500, 1000, and 1500 when the volume percent (φ) of the nanoparticles (NPs) was increased to 2%. The mixture two-phase (T-P) model was utilized to simulate the NFs. Results showed that using the designed WMCHS compared to the common H/S reduces the average and maximum temperatures (T-Max) up to 2 °C. Moreover, using the Al2O3 NF is more suitable in terms of WMCHS temperature uniformity as well as its thermal resistance compared to the CuO NF. Increasing the φ is desirable in terms of temperature, but it enhances the pumping power (PP). Besides, the Figure of Merit (FOM) was investigated, and it was found that the value is greater at a higher volume percentage.

The investigation of energy management and atomic interaction between coronavirus structure in the vicinity of aqueous environment of H2O molecules via molecular dynamics approach.

The coronavirus pandemic is caused by intense acute respiratory syndrome coronavirus 2 (SARS-CoV-2). Identifying the atomic structure of this virus can lead to the treatment of related diseases in medical cases. In the current computational study, the atomic evolution of the coronavirus in an aqueous environment using the Molecular Dynamics (MD) approach is explained. The virus behaviors by reporting the physical attributes such as total energy, temperature, potential energy, interaction energy, volume, entropy, and radius of gyration of the modeled virus are reported. The MD results indicated the atomic stability of the simulated virus significantly reduced after 25.33 ns. Furthermore, the volume of simulated virus changes from 182397 Å3 to 372589 Å3 after t = 30 ns. This result shows the atomic interaction between various atoms in coronavirus structure decreases in the vicinity of H2O molecules. Numerically, the interaction energy between virus and aqueous environment converges to -12387 eV and -251 eV values in the initial and final time steps of the MD study procedure, respectively.

A Review of the Methods of Modeling Multi-Phase Flows within Different Microchannels Shapes and Their Applications.

In industrial processes, the microtechnology concept refers to the operation of small devices that integrate the elements of operational and reaction units to save energy and space. The advancement of knowledge in the field of microfluidics has resulted in fabricating devices with different applications in micro and nanoscales. Micro- and nano-devices can provide energy-efficient systems due to their high thermal performance. Fluid flow in microchannels and microstructures has been widely considered by researchers in the last two decades. In this paper, a review study on fluid flow within microstructures is performed. The present study aims to present the results obtained in previous studies on this type of system. First, different types of flows in microchannels are examined. The present article will then review previous articles and present a general summary in each section. Then, the multi-phase flows inside the microchannels are discussed, and the flows inside the micropumps, microturbines, and micromixers are evaluated. According to the literature review, it is found that the use of microstructures enhances energy efficiency. The results of previous investigations revealed that the use of nanofluids as a working fluid in microstructures improves energy efficiency. Previous studies have demonstrated special attention to the design aspects of microchannels and micro-devices compared to other design strategies to improve their performance. Finally, general concluding remarks are presented, and the existing challenges in the use of these devices and suggestions for future investigations are presented.