Variable Geometry Research Articles

3D printing and development of computational models of biodegradable meshes for pelvic organ prolapse

PurposeDevelop biodegradable meshes as a novel solution to address issues associated with using synthetic meshes for POP repair.Design/methodology/approachComputational models were created with variations in the pore geometry, pore size, filament thickness, and inclusion of filaments around specific mesh regions. Subsequently, one of the meshes was 3D printed to validate the results obtained from the simulations. Following this, a uniaxial tensile test was carried out on the vaginal tissue of a sow to compare with the simulations, to identify meshes that displayed behaviour akin to vaginal tissue. Finally, the most promising outcomes were compared with those of the uterosacral ligament and a commercially available mesh.FindingsFollowing a comprehensive analysis of the results, the mesh that most accurately replicates the behaviour of the vaginal tissue showcases a smaller pore diameter (1.50 mm), filaments in specific areas of the mesh, and variable filament thickness across the mesh. Nevertheless, upon comparing the outcomes with those of the uterosacral, the meshes do not exhibit similar behaviour to the ligament. Finally, the commercially available mesh does not represent the behaviour of both the vaginal tissue and the uterosacral ligament and in this sense may not be the best treatment option for POP repair.Originality/valueTheir biocompatibility and biomechanical properties make them a potential solution to the disadvantages of synthetic meshes. Personalized/customized meshes could be part of the future of surgical POP repair.

A hybrid design method of steady-state throttling control schedules for high-flow variable cycle engine

It is critical for variable cycle engine to design throttling control schedules that exploit its full steady-state performance potential. However, the increasing amount of variable geometry components makes it difficult to design the optimal control schedules, and the control schedules cannot adapt to the engine performance degradation. Therefore, a novel hybrid design method of steady-state throttling control schedules is proposed in this study by combining an offline optimization phase and an online compensation phase. In the offline optimization phase, a novel multi-objective differential evolution algorithm with neighborhood-based hierarchical mutation and cluster-based environment selection is first proposed to optimize the control schedules. The stratified selection method is then proposed to select the optimal and smooth control schedules. In the online compensation phase, the sensitivity calculation is first employed to identify the variable geometry component most sensitive to engine performance, and the compensator based on the extreme gradient boosting method is then designed to adjust the control schedules online. The hybrid design method is applied to the high-flow variable cycle engine. By comparing with the traditional design method, the results demonstrate that the proposed method can optimize the engine performance under the premise of ensuring good thrust linearity and that the control schedules can adapt to performance degradation during online use.

Temporal and spatial characterization of a thermogenic, fault-controlled gas hydrate system, Woolsey Mound, Gulf of Mexico

Woolsey Mound, located at Mississippi Canyon Lease Block 118 (MC118), is the site of the Gulf of Mexico hydrate research consortium’s seafloor observatory, where gas hydrates outcrop at the seafloor. The presence of gas hydrates in the mound is confirmed directly by coring and indirectly by 3D seismic reflection data. Craters, pockmarks, chemosynthetic communities, and authigenic carbonates populate the seafloor at Woolsey Mound. Each crater is characterized by a network of shallow crestal faults that connect the hydrate mound to the underlying allochthonous salt body. We characterize the temporal and spatial evolution of gas hydrates at Woolsey Mound under natural perturbations using four collocated 3D seismic reflection data sets that span over 14 years. Data acquisition differences embedded in the data sets arising from variation in geometry, sample rate, and phase are minimized using the “cross-equalization” method. Our results indicate that hydrate formation and dissociation vary temporally and spatially in close connection to the shallow crestal faults. Evidence of gas hydrate dissociation is observed over a period of three years (2000–2003), where major dissociation occurred along the southern portion of the crestal fault in the southeast crater. The dissociation is less prominent in the southwest crater. Evidence of methane venting is observed between 2000 and 2010, which is mostly concentrated in the southeast crater. The residual amplitude anomalies observed between 2000 and 2014 in the mound are mostly positive, implying that the methane venting had increased significantly. The positive anomalies are correlated with the methane seepage recorded in 2011. Our results indicate the evolution of a fault-controlled gas hydrate system in the northern Gulf of Mexico, which would aid in assessing its impact on the seafloor.

Influence of peripheral axon geometry and local anatomy on magnetostimulation chronaxie

Objective. Rapid switching of magnetic resonance imaging (MRI) gradient fields induces electric fields that can cause peripheral nerve stimulation (PNS) and so accurate characterization of PNS is required to maintain patient safety and comfort while maximizing MRI performance. The minimum magnetic gradient amplitude that causes stimulation, the PNS threshold, depends on intrinsic axon properties and the spatial and temporal properties of the induced electric field. The PNS strength–duration curve is widely used to characterize simulation thresholds for periodic waveforms and is parameterized by the chronaxie and rheobase. Safety limits to avoid unwanted PNS in MRI rely on a single chronaxie value to characterize the response of all nerves. However, experimental magnetostimulation peripheral nerve chronaxie values vary by an order of magnitude. Given the diverse range of chronaxies observed and the importance of this number in MRI safety models, we seek a deeper understanding of the mechanisms contributing to chronaxie variability. Approach. We use a coupled electromagnetic-neurodynamic PNS model to assess geometric sources of chronaxie variability. We study the impact of the position of the stimulating magnetic field coil relative to the body, along with the effect of local anatomical features and nerve trajectories on the driving function and the resulting chronaxie. Main results. We find realistic variation of local axon and tissue geometry can modulate a given axon’s chronaxie by up to two-fold. Our results identify the temporal rate of charge redistribution as the underlying determinant of the chronaxie. Significance. This charge distribution is a function of both intrinsic axon properties and the spatial stimulus along the nerve; thus, examination of the local tissue topology, which shapes the electric fields, as well as the nerve trajectory, are critical for better understanding chronaxie variations and defining more biologically informed MRI safety guidelines.

Optimization of Hanger Spacing of Steel Arch Bridges Using Dynamic Loads

Bridges are basic infrastructure that must be met to create regional connectivity in Indonesia. One type of bridge that is often used is a curved bridge, which has the advantages of high strength, attractiveness, aesthetics and economy. In order to accelerate the development of bridge infrastructure, an efficient innovation in curved bridge design is needed. The development of curved bridge structures to achieve efficient designs has received much attention in several decades. However, researchers have only focused on optimising the geometry variation of the arch height. Therefore, the aim of this research is to innovate the optimisation of the hanger spacing on the arch bridge structure. In order to obtain optimal results, a bridge model is carried out by varying the hanger spacing of the centre model with a hanger spacing ratio of (1.3 - 1.1 - 0.9 - 0.7), a flat model with a hanger spacing ratio of (1 - 1 - 1 - 1) and an edge model with a hanger spacing ratio of (0.7 - 0.9 - 1.1 - 1.3), so that from the three models, the effect of hanger location on three conditions is obtained. Each model is modelled in the SAP2000 software and given a bridge service load to obtain the internal forces and deflections that occur. The output of the internal force and deflection is then analysed to determine the effect of the location of the bridge service hanger. The serviceability of the bridge is also analysed by calculating the ratio between the weight of the bridge and the deflection that occurs. The results of the analysis show that the location of the hanger affects the performance of the arch bridge structure. The centre model bridge design produces the most efficient structural performance in resisting the compressive axial forces and moments that occur, and produces the least deflection. Meanwhile, the edge model will provide the most efficient structural performance in resisting tensile axial forces. By referring to the results of the bridge weight to deflection ratio analysis, it can be concluded that the centre model produces the most efficient structural design when compared to other curved bridge models.

Air Flow Analysis for Triply Periodic Minimal Surface Heat Exchangers

Due to the increasing popularity of additive manufacturing technologies, more varied and complex shapes of heat exchangers can be produced, that can be optimized to be more compact and efficient. In this paper a triply minimal periodic surface – gyroid structure is designed to study the applicability of such structures in air-to-air heat exchangers used in residential ventilation recuperation systems. Gyroid surface structures are useful to decrease overall heat exchanger size, pressure and increase heat transfer. Several geometry variations with different flow rate values were analysed to compare the efficiency of heat exchanger designs, as well as basic counterflow plate heat exchanger arrangement was analysed, to compare the gyroid designs to conventional methods. To calculate the pressure difference, temperature and heat transfer in each variation, SolidWorks Flow Simulation was used. The results showed that by using gyroid structures, heat exchanger energy transfer can be optimised for required back pressure and heat transfer, while reducing the overall dimensions, compared to conventional heat exchangers. By incorporating low cost, printed thermal recuperators, thermal efficiency of residential buildings can be improved. Suitable materials, manufacturing methods and application limitations are discussed.

Rotational and vibrational temperatures of transient atmospheric glow plasma

Plasma ignition can significantly improve the efficiency and performance of combustion devices through the enhancement of combustibility limits. Investigating plasma development for fundamental experimental flame conditions (i.e. spherical flame experiments) can provide insight into how plasma thermalizes the combustible mixture and, therefore a better understanding of flame development in future experimental studies. This study observed an ignition system designed to produce spherical flames in quiescent gas inside a constant-volume combustion chamber. Rotational and vibrational temperature measurements of dry atmospheric air glow plasma are reported. Measurements were taken for a transient discharge with currents less than 0.5 A. The electrode wire geometry and discharge variation resulted in an ellipsoid-shaped kernel and plasma region with an abnormal glow discharge. The measured temperatures were compared to the conductive thermal kernel boundary observed with Schlieren imaging. Maximum rotational and vibrational temperatures of 3000 K and 10 000 K, respectively, were observed near the anode electrode for a 0.5 A current. The temperature decreased with the axial distance from the anode, while a constant temperature was observed in the radial direction. Lower currents resulted in a smaller temperature, with minimum measured rotational and vibrational temperatures of 1500 K and 5000 K, respectively. The results were compared with available experimental literature and the variation observed was a result of the transient nature, which resulted in hysteresis in temperature vs discharge current measurements.

Gravity compensation and output data decoupling of a novel six-dimensional force sensor

Abstract. A shunt three-legged parallel six-dimensional force sensor has been designed for more precise measurement of six-dimensional force/moment information. The theoretical static force model of the sensor was established based on the equivalent of a six-bar closed-loop parallel mechanism. The sensor has been experimentally calibrated under a given external load, and the neural network method has been utilized to nonlinearly fit the experimental data and achieve decoupling. Furthermore, a novel gravity compensation method for the six-dimensional force sensor of the wrist of a robot has been proposed based on the CAD variable geometry method. The positive solution of the position of the parallel robot is simulated through a wire-frame diagram, enabling accurate estimation and correction of the sensor. Experimental validation has confirmed the feasibility of the compensation algorithm.

Influence of Gating Geometry Variations on Flow Balancing of Horizontal Multi-gate Systems in Casting

Influence of Gating Geometry Variations on Flow Balancing of Horizontal Multi-gate Systems in Casting

Predictive control method for mode transition process of multi-mode turbine engine based on onboard adaptive composite model

In order to achieve precise control of thrust and flow during the mode transition(MT) process of multi-mode turbine engine(MMTE) within the switching envelope and under the condition of engine performance degradation, research on multi-mode model predictive control method is conducted. A mode transition trajectory optimization method based on SQP is explored, and a small range of adjustable parameters that ensure the continuous thrust and flow is obtained. Based on this, a multi-mode onboard modeling approach based on the directional adjustment law scheduling of the variable geometry adjustment mechanism is proposed. Furthermore, an investigation into a predictive control method for MT process based on onboard adaptive composite model is conducted. The simulation results demonstrate that the proposed method exhibits a maximum thrust fluctuation of less than 0.66 % during MT process, under both normal and degraded engine component performance conditions, which is significantly superior to the conventional PID control of 2.8 %. Compared to the average single step calculation time of 7.24 ms using the SQP optimization method, the proposed approach only requires 0.204 ms. The methodology presented takes into consideration of control accuracy and computing efficiency, thereby offering promising prospects for engineering applications in MMTE MT control system design.

Modeling heat and mass transfer in metal hydride hydrogen storage systems: Impact of operating parameters and reactor geometry

This work introduces a transient 2D axis-symmetrical model for hydrogen absorption in a cylindrical LaNi5 reactor employing finite volume method with a fully implicit Euler's time integration scheme, coupling equations for heat, mass, and momentum transport. The validated model is used to investigate the impacts of pressure, cooling fluid temperature, and variations in reactor geometry and size on temperature and reacted fraction profiles. The findings reveal that the charging pressure affects both peak temperature and reaction kinetics, whereas cooling fluid temperature predominantly impacts the absorption kinetics. A comparative analysis of two models, one incorporating Darcy's velocity and one without, demonstrates that while Darcy's law introduces numerical instability in the coupled equations, its impact on the model outcomes is negligible. The effect of changing the non-homogeneous Neumann to Dirichlet boundary condition is also demonstrated to anticipate the utilization of phase change materials (PCM) instead of the cooling fluid.

Geomechanical modeling to assess the injection-induced fracture slip-potential and subsurface stability of the Cambro-Ordovician reservoirs of Hassi Terfa field, Algeria

The in-situ stress state and the distribution of the critically stressed fractures have significant implications on optimum wellbore placement, production enhancement, fluid injection, and induced seismicity which largely influence the reservoir management strategies. This study presents a comprehensive geomechanical modeling to infer the likelihood of shear slippage of the optimally oriented weak planes in response to water injection in the deep Paleozoic oil reservoirs from the Hassi Terfa field, central Algerian Sahara. The ‘B-quality’ compressive failures, i.e., breakouts from the acoustic image log indicate the maximum horizontal stress azimuth as N114°E. The inferred in-situ stress magnitudes indicate a strike-slip tectonic regime in the study area. The reservoir is generally tight (porosity <8 %, permeability <0.4 mD) due to extensive silica cementation, however pre-existing closed to partially open natural fractures of variable geometries are identified on cores, thin sections, and image logs. The stress-based slip assessment indicates that none of the fracture geometries is critically stressed and hydraulically conductive at the initial reservoir stress state. The onset of slip on the critically oriented vertical fractures can initiate at 1200 psi of fluid injection at the reservoir level of ∼3500 m. The E-W to EES-WWN oriented fractures, parallel to the maximum horizontal stress azimuth, have a higher likelihood of being critically stressed during injection and therefore can contribute to the permeability enhancement. We restrict the practical injection threshold at 3000 psi, which can create tensile failures on the shale caprocks. We infer that the NE-SW and NNE-SSW striking, steeply dipping fractures and regional faults being perpendicular or at high angles to the regional maximum horizontal stress azimuth, are the most stable ones and therefore, less likely to slip within the practical injection limit.

Improving part-load performance of combined-cycle gas turbines by optimizing variable geometry control strategy for compressor and power turbine combined adjustment

The variable geometry methods currently used in combined-cycle gas turbines are compressor variable inlet guide vanes (VIGV) or power turbine variable area nozzles (VAN). On this basis, this study presents the optimal variable geometry control strategy for compressor and power turbine combined adjustment ([Formula: see text]) using the Differential Evolutionary Algorithm with the LM2500+ gas turbine. The aim is to further improve the part-load performance of the combined-cycle gas turbine. Firstly, a part-load performance prediction model for variable geometry gas turbines is established based on the component method. Subsequently, a variable geometry gas turbine part-load performance optimization model is developed by combining the Differential Evolution Algorithm. Finally, the optimum combination of stagger angles for the compressor inlet vane and power turbine nozzle is calculated at each part-load condition. Compared to the VIGV and VAN control strategies, the [Formula: see text] control strategy proposed in this paper shows a higher stability margin and better economy. The [Formula: see text] control strategy maintains a constant exhaust temperature within a part load range from 20% to 100% with the stability margin exceeding 14%. In comparison with the VAN control strategy, the fuel flow rate decreases by 1.152% at 45% relative load power and by 3.435% at 20.0% relative load power with the [Formula: see text] control strategy.

Cross-species variability in lobular geometry and cytochrome P450 hepatic zonation: insights into CYP1A2, CYP2D6, CYP2E1 and CYP3A4.

There is a lack of systematic research exploring cross-species variation in liver lobular geometry and zonation patterns of critical drug-metabolizing enzymes, a knowledge gap essential for translational studies. This study investigated the critical interplay between lobular geometry and key cytochrome P450 (CYP) zonation in four species: mouse, rat, pig, and human. We developed an automated pipeline based on whole slide images (WSI) of hematoxylin-eosin-stained liver sections and immunohistochemistry. This pipeline allows accurate quantification of both lobular geometry and zonation patterns of essential CYP proteins. Our analysis of CYP zonal expression shows that all CYP enzymes (besides CYP2D6 with panlobular expression) were observed in the pericentral region in all species, but with distinct differences. Comparison of normalized gradient intensity shows a high similarity between mice and humans, followed by rats. Specifically, CYP1A2 was expressed throughout the pericentral region in mice and humans, whereas it was restricted to a narrow pericentral rim in rats and showed a panlobular pattern in pigs. Similarly, CYP3A4 is present in the pericentral region, but its extent varies considerably in rats and appears panlobular in pigs. CYP2D6 zonal expression consistently shows a panlobular pattern in all species, although the intensity varies. CYP2E1 zonal expression covered the entire pericentral region with extension into the midzone in all four species, suggesting its potential for further cross-species analysis. Analysis of lobular geometry revealed an increase in lobular size with increasing species size, whereas lobular compactness was similar. Based on our results, zonated CYP expression in mice is most similar to humans. Therefore, mice appear to be the most appropriate species for drug metabolism studies unless larger species are required for other purposes, e.g., surgical reasons. CYP selection should be based on species, with CYP2E1 and CYP2D6 being the most preferable to compare four species. CYP1A2 could be considered as an additional CYP for rodent versus human comparisons, and CYP3A4 for mouse/human comparisons. In conclusion, our image analysis pipeline together with suggestions for species and CYP selection can serve to improve future cross-species and translational drug metabolism studies.

Single-molecule fluorescence multiplexing by multi-parameter spectroscopic detection of nanostructured FRET labels

Multiplexed, real-time fluorescence detection at the single-molecule level can reveal the stoichiometry, dynamics and interactions of multiple molecular species in mixtures and other complex samples. However, fluorescence-based sensing is typically limited to the detection of just 3–4 colours at a time due to low signal-to-noise ratio, high spectral overlap and the need to maintain the chemical compatibility of dyes. Here we engineered a palette of several dozen composite fluorescent labels, called FRETfluors, for multiplexed spectroscopic measurements at the single-molecule level. FRETfluors are compact nanostructures constructed from three chemical components (DNA, Cy3 and Cy5) with tunable spectroscopic properties due to variations in geometry, fluorophore attachment chemistry and DNA sequence. We demonstrate FRETfluor labelling and detection for low-concentration (<100 fM) mixtures of mRNA, dsDNA and proteins using an anti-Brownian electrokinetic trap. In addition to identifying the unique spectroscopic signature of each FRETfluor, this trap differentiates FRETfluors attached to a target from unbound FRETfluors, enabling wash-free sensing. Although usually considered an undesirable complication of fluorescence, here the inherent sensitivity of fluorophores to the local physicochemical environment provides a new design axis complementary to changing the FRET efficiency. As a result, the number of distinguishable FRETfluor labels can be combinatorically increased while chemical compatibility is maintained, expanding prospects for spectroscopic multiplexing at the single-molecule level using a minimal set of chemical building blocks.

Data-assisted training of a physics-informed neural network to predict the separated Reynolds-averaged turbulent flow field around an airfoil under variable angles of attack

Physics-informed neural networks are a promising method to yield surrogate models of flow fields. We present a metamodeling technique for variable geometries based on physics-informed neural networks. The method was applied to the DU99W350 airfoil at a Reynolds number of 1×105\\documentclass[12pt]{minimal} \\usepackage{amsmath} \\usepackage{wasysym} \\usepackage{amsfonts} \\usepackage{amssymb} \\usepackage{amsbsy} \\usepackage{mathrsfs} \\usepackage{upgreek} \\setlength{\\oddsidemargin}{-69pt} \\begin{document}$$1\ imes 10^{5}$$\\end{document}. Using our technique, the angle of attack was introduced as an additional input parameter of the network and the model was trained to predict the Reynolds-averaged velocity and pressure fields around the airfoil for arbitrary angles of attack between 10.0 and 17.5∘\\documentclass[12pt]{minimal} \\usepackage{amsmath} \\usepackage{wasysym} \\usepackage{amsfonts} \\usepackage{amssymb} \\usepackage{amsbsy} \\usepackage{mathrsfs} \\usepackage{upgreek} \\setlength{\\oddsidemargin}{-69pt} \\begin{document}$$^{\\circ }$$\\end{document}. Furthermore, we present an effective method to generate the training points for the parameterized geometry. The model was trained with data from simulations for a limited set of angles of attack. Additionally, satisfaction of the a priori known boundary conditions as well as the Reynolds-averaged Navier–Stokes equations was attained. A sensitivity analysis concerning the Reynolds number, the amount and distribution of training data, and the turbulence model was conducted showing the superiority of the pseudo-Reynolds stress method and the demand for labeled training data in the domain. The trained network was capable of predicting the flow separation progressing with angle of attack on the suction surface and exhibited excellent agreement with numerically simulated results, even in the proximity of the wall for interpolations as well as extrapolations from the labeled data set. Our study demonstrates that physics-informed neural networks can be used to obtain accurate flow field surrogate models of variable geometries.

Development and validation of a test facility for bending corrosion fatigue of hybrid laminates

Development and validation of a test facility for bending corrosion fatigue of hybrid laminates

Influence of subtle inherited basement structures on thin-skinned thrust systems: The Caledonian Thrust Front in Lapland (CaTFLap)

Thin-skinned fold-thrust belts are defined by an extensive detachment surface, “the sole thrust’. The sole thrust is typically assumed to be sub-planar beneath the fold-thrust belt. The model of a planar sole thrust and, by inference, planar basement is often applied rather uncritically, whereas experimental and field studies show that basement topography is not only varied but crucial for the geometrical and kinematic evolution of fold-thrust belts. Basement topography controls on the thrust dynamics remains the least well understood parameter in fold-thrust belts, and more case studies are needed to underpin further understanding. We present field evidence from the well-exposed Caledonian Thrust Front in Lapland, showing the influence of inherited, orogen-perpendicular basement structures on the subsequent structural evolution of the Caledonian sole thrust and its underlying sedimentary rocks. Inherited orogen-perpendicular basement structures created open corrugations in the foreland that directed thrust allochthons and controlled the geometry and strain state of the sole thrust and associated rocks. We propose that even relatively small-scale structures can have a significant control on the geometry and strain state of an evolving thrust system, and that variations in thrust geometries are not simply explained by inversion or coincidental heterogeneous internal thickening (imbrication) of thrust-related units.

Comprehensive analysis of two-phase liquid-gas flow structures in varied channel geometries and thermal environments

Two-phase liquid-gas flows are very often used in practice. It is a branch of knowledge that has been extensively studied for many years. The extensiveness of the topic results from the fact that two-phase flows differ quite significantly, depending on the geometry, hydraulic diameter orientation of the channel, and possible thermal processes occurring in the flow. These differences affect the formation of various flow structures and thus flow resistance and heat transfer if the flow is non-adiabatic. In addition to the impact on the energy consumption of the machines in which the phenomenon occurs, the flow structures affect the stability of the equipment operation. This article presents a literature review and knowledge analysis of flow structures in both adiabatic and non-adiabatic flows in channels of different dimensions, geometry, and orientation. The authors also present the results of their research in flow structures in the liquefaction process, carried out in minichannels, as well as a summary of knowledge in the field of liquid-gas flow structures.

Theoretical spectroscopic electronic elucidation with polar and non-polar solvents (IEFPCM model), molecular docking and molecular dynamic studies on bendiocarb -antiallergic drug agent

The potential antiallergic compound bendiocarb was studied theoretically by polar and non-polar (six) solvents (IEFPCM model) by quantum chemical DFT calculations. Rotational potential barriers were estimated for water, acetone, THF, chloroform, benzene, and toluene are 12.62, 12.45, 12.55, 12.69, 12.74 and 12.57 kJ/mol. Analysis was done on the variations in geometries brought about by the electronegative atom’s replacement as well as the intramolecular interactions caused by the benzodioxol ring. NBO analysis as well as geometrical equilibrium have been performed using DFT employing the B3LYP technique with the 6-311G++(d, p) basis set. In vibrational analysis, CH stretching of bendiocarb was theoretically estimated within 3207–3181 cm−1 (gas), 3207–3184 cm−1 (acetone and water), 3207–3182 cm−1 (benzene and toluene), and 3207–3183 cm−1 (chloroform and THF) due to CN vibrations is challenging because of the overlapping and appearance of multiple bands in similar regions. Energy gaps for Bendiocarb in different solvents for water (5.719 eV), acetone (5.716 eV), THF (5.722 eV), chloroform (5.724 eV), benzene (5.731 eV), toluene (5.730 eV), and gas phase (5.746 eV). Lipinski’s rule of five was exploited to guide research on drug similarity and oral action. Using docking simulation against the antiallergic protein, a binding energy of −5.22 kcal/mol, 4P5M has been examined. The protein 4P5M exhibits variations between 0.12 and 0.155 nm for RMSD in molecular dynamic simulation. One can infer information about the pharmacokinetic features of the target molecule from its drug similarity, absorption, distribution, metabolism, excretion, and toxicity properties.