Study Of Dynamics Research Articles

Identification of naturally occurring flavonoids as anticancer agents: In silico studies

It is recognized that flavonoids have a variety of functions in nature, including anti-inflammatory, antibacterial, antioxidant, anticancer, anti-HIV and neuroprotective properties. In the present study, molecular docking experiment was performed on 15 naturally occurring flavonoids as anticancer agents. The analysis of results was performed on the basis of docking score, glide energy and interaction with amino acids. Each flavonoid showed a specific interaction with target protein. Naringin showed interactions with amino acids GLN131, ASP145, PHE80, VAL83, GLU8, ILE10, THR89 (docking score −12.48) involved with the protein PDB ID: 1gij (inhibitor of cyclin-dependent kinase 4). Naringin further showed interactions with THR887, THR886, LYS833, ASP836 amino acids (docking score −15.078) involved with PDB ID: 5jhb (inhibitor of PI3K and tubulin). Orientin showed interactions with amino acids ASN150, ASP163, LYS43, VAL101 (docking score −13.89) with PDB ID: 2euf as inhibitor of cyclin-dependent kinase 6. Quercetin showed interactions with amino acids PHE1047, LEU840, CYS919, GLU917 (docking score −11.7) with PDB ID: 4agd as inhibitor of VEGF receptor tyrosine kinase inhibitor. Epigallocatechin gallate showed interactions with amino acids LYS868, GLU885, THR916, ASP1046 using protein PDB ID: 3ewh (docking score −10.004) as inhibitor of Tie-2 kinase. The given flavonoid drugs interaction with cancer targets shows their possible potential against various forms of cancer. Epigallocatechin gallate when docked with 3ewh showed best docking score with important interaction required for anticancer activity. In molecular dynamic study, Epigallocatechin gallate in complex with VEGFR2 kinase protein (PDB ID: 3ewh) with RMSD indicates the protein remained stable through the simulation of 100ns with fluctuation in the range of 1.5–3.5 Å. The provided docking results may be useful for the development of novel drug candidate for anticancer targets.

An unsupervised machine learning approach to the spatial analysis of urban systems through neighbourhoods’ dynamics

Urban systems’ dynamics are the result of two intertwined processes that operate at different rhythms: their physical structure and underlying social processes. This paper suggests a novel approach to the spatial analysis of urban systems, using neighborhoods as a basic building block. Neighborhoods are usually the minimal homogeneous geographical unit in urban areas, both regarding their physical, and social characteristics, and the availability of governmental data. Using unsupervised machine learning algorithm, an extensive real-estate transaction dataset, and census data, a multi-scale analysis of neighborhoods’ dynamics in England and Wales is performed. The spatial and temporal dynamics of the resulting clusters of neighborhoods highlights the urban challenges faced by entire urban systems. The results suggest that processes triggered by urban inequalities may affect not only the social structure of cities (for example, through gentrification and displacement), but also the environmental sustainability of the whole urban system at a much larger scale: Suburbanization pressures seem to threaten rural areas at an unprecedented magnitude. The identification of the areas where this pressure is acute allows for the design of appropriate urban policy responses. The main message for the analysis of urban dynamics is that physical transformations and socio-political rearrangements that are intrinsically intertwined: Therefore, the joint management of the both aspects is the key to a sustainable future. The analysis also highlights the potential of machine learning algorithms for the benefit of urban science in general, and the study of urban dynamics in particular.

Bridging the Gap: Integrating Knowledge from the Study of Social Network Analysis and Infectious Disease Dynamics in Human and Nonhuman Primates

Primates live in complex social systems, and social contact and disease interact to shape the evolution of animal (including human) sociality. Researchers use social network analysis (SNA), a method of mapping and measuring contact patterns within a network of individuals, to understand the role that social interactions play in disease transmission. Here, we review lessons learned from SNA of humans and nonhuman primates (NHPs) and explore how they can inform health and wildlife conservation. Utilizing the breadth of knowledge in human systems and outlining how we can integrate that knowledge into our understanding of NHP sociality will add to our comprehension of disease transmission in NHP social networks and, in turn, will reveal more about human disease and well-being.

Diffusion of curcumin in PLGA-based carriers for drug delivery: a molecular dynamics study

Context:The rapid growth and diversification of drug delivery systems have been significantly supported by advancements in micro- and nano-technologies, alongside the adoption of biodegradable polymeric materials like poly(lactic-co-glycolic acid) (PLGA) as microcarriers. These developments aim to reduce toxicity and enhance target specificity in drug delivery. The use of in silico methods, particularly molecular dynamics (MD) simulations, has emerged as a pivotal tool for predicting the dynamics of species within these systems. This approach aids in investigating drug delivery mechanisms, thereby reducing the costs associated with design and prototyping. In this study, we focus on elucidating the diffusion mechanisms in curcumin-loaded PLGA particles, which are critical for optimizing drug release and efficacy in therapeutic applications.Methods:We utilized MD to explore the diffusion behavior of curcumin in PLGA drug delivery systems. The simulations, executed with GROMACS, modeled curcumin molecules in a representative volume element of PLGA chains and water, referencing molecular structures from the Protein Data Bank and employing the CHARMM force field. We generated PLGA chains of varying lengths using the Polymer Modeler tool and arranged them in a bulk-like environment with Packmol. The simulation protocol included steps for energy minimization, T and p equilibration, and calculation of the isotropic diffusion coefficient from the mean square displacement. The Taguchi method was applied to assess the effects of hydration level, PLGA chain length, and density on diffusion.Results:Our results provide insight into the influence of PLGA chain length, hydration level, and polymer density on the diffusion coefficient of curcumin, offering a mechanistic understanding for the design of efficient drug delivery systems. The sensitivity analysis obtained through the Taguchi method identified hydration level and PLGA density as the most significant input parameters affecting curcumin diffusion, while the effect of PLGA chain length was negligible within the simulated range. We provided a regression equation capable to accurately fit MD results. The regression equation suggests that increases in hydration level and PLGA density result in a decrease in the diffusion coefficient.

Effect of bismuth on the mechanical properties and microstructure evolution of iron matrix during drawing: a molecular dynamics study

This paper investigates the effects of bismuth nanoparticles on the mechanical properties and microstructure evolution of single-crystal iron matrix materials during the drawing process using molecular dynamics methods, and also explores the effects of different drawing speeds and loading methods on the drawing process. The results show that the incorporation of bismuth nanoparticles has a significant effect on the axial drawing force, dislocation, shear strain and crystal evolution during the drawing process. When the bismuth nanoparticles started to deform under the action of drawing force, the atomic shear strain and crystal evolution were concentrated around them, which hindered the generation of dislocations and led to the reduction of their axial drawing force. In addition, the degree of atomic shear strain and crystal evolution increases with the increase of drawing speed, leading to work hardening of the material, and thus increasing the axial drawing force. Finally, when the loading mode is positioned at the rear end, shear strain becomes more concentrated around the bismuth nanoparticles, hindering dislocation generation and increasing the material’s hardness and axial drawing force. This study is important for understanding the mechanism of bismuth nanoparticles on the iron matrix of single-crystal during the drawing process.

The development of an automated microscope image tracking and analysis system.

Microscopy image analysis plays a crucial role in understanding cellular behavior and uncovering important insights in various biological and medical research domains. Tracking cells within the time-lapse microscopy images is a fundamental technique that enables the study of cell dynamics, interactions, and migration. While manual cell tracking is possible, it is time-consuming and prone to subjective biases that impact results. In order to solve this issue, we sought to create an automated software solution, named cell analyzer, which is able to track cells within microscopy images with minimal input required from the user. The program of cell analyzer was written in Python utilizing the open source computer vision (OpenCV) library and featured a graphical user interface that makes it easy for users to access. The functions of all codes were verified through closeness, area, centroid, contrast, variance, and cell tracking test. Cell analyzer primarily utilizes image preprocessing and edge detection techniques to isolate cell boundaries for detection and analysis. It uniquely recorded the area, displacement, speed, size, and direction of detected cell objects and visualized the data collected automatically for fast analysis. Our cell analyzer provides an easy-to-use tool through a graphical user interface for tracking cell motion and analyzing quantitative cell images.

The basic‐reproduction number of infectious diseases in spatially structured host populations

The spatial structure of a host population has a profound effect on the dynamics of infectious diseases. The basic reproduction number, a central quantity in the study of epidemic dynamics, is affected by host clustering as well as host density. Several authors have developed methods to quantify the basic reproduction number in a spatially structured host population. The methods used and the expressions derived are however difficult to apply to real life spatial host structures. In this paper we introduce an explicit expression for the basic reproduction number using the O‐ring statistic, developed in spatial statistics, that quantifies the host density as a function of the distance from a randomly selected host individual. The O‐ring statistic is frequently used in the study of the ecology of spatially structured plant populations, being a convenient summary of the properties of a landscape by way of a single function. The connection we develop between spatial statistics and epidemic dynamics can be used to study the effect of host spatial pattern on the basic reproduction number of infectious diseases. As well as showing how explicit expressions for the basic reproduction number can be derived for landscapes with standard structures, our expression for the basic reproduction number is tested against a simulation model. The model structure in our simulation is motivated by the spread of a plant disease epidemic, although it is applicable more broadly. The agreement between our analytic expression for the basic reproduction number and the corresponding numeric quantity extracted from simulations is close to perfect across a wide range of landscape structures and model parameterisations, and including cases in which more than one species of host is at risk of infection.

Two rhenium compounds with benzimidazole ligands: synthesis and DNA interactions.

Two rhenium compounds: cis-tetrachlorotetrabenzimidazoldirhenium(iii) chloride - I and tetrabenzimidazoldioxorhenium(v) - II have been synthesized and characterized. X-ray data are presented for the new complex II. I and II show strong emission that has been used to investigate their interaction with several non-canonical DNA structures. Both compounds have a quenching effect on the fluorescence intensity upon addition of the investigated oligonucleotides; I was more selective for binding G4-than II. Association constant values obtained for I and II with G-quadruplexes reached 106 M-1, which suggests a strong interaction between both complexes and these sequences. FRET-melting assays show that I and II have a rather high level of stabilization of ckit1 and ckit2 quadruplexes. I is toxic against macrophages RAW267.7 only in high concentrations, while complex II shows no toxicity against these cells. I and II accumulate inside cells in different degrees. Molecular dynamic simulation studies have provided insights into the binding modes of II with ckit1 and ckit2 G-quadruplexes. The results obtained show the DNA binding activity of the rhenium complexes and their ability to be players in the anti-cancer fight since they can bind to non-canonical DNA forms in oncogene promoters, accumulate in some cancer cells, and influence the cancer cells microenvironment.

Research on the RZB-Type Three-Dimensional Drilling Strain Measurement System.

Borehole strain gauges play a crucial role in geophysical, seismological, and crustal dynamics studies. While existing borehole strain gauges are proficient in measuring horizontal strains within vertical boreholes, their effectiveness in capturing vertical and oblique strains is limited due to technical constraints arising from the cylindrical probe's characteristics. However, the accurate measurement of three-dimensional strain is essential for a comprehensive understanding of crustal tectonics, dynamics, and geophysics, particularly considering the diverse geological structures and force sources within the crustal medium. In this study, we present a novel approach to address this challenge by enhancing an existing horizontal-component borehole strain gauge with a bellows structure and line strain measurement technology to enable vertical and borehole oblique strain measurements. Integrating these enhancements with horizontal strain measurement capabilities enables comprehensive three-dimensional borehole strain measurements within the same hole section. The system was deployed and tested at the Gongxian seismic station in Sichuan Province. Clear observations of solid tides were recorded across horizontal, oblique, and vertical measurement units, with the tidal morphology and amplitude being consistent with the theoretical calculations. The achieved measurement sensitivity of 10-10 meets the requirements for borehole strain measurement, enabling the characterization of three-dimensional strain states within boreholes through association methods.

Quantum Dynamics Studies of the Li + Na2 (V = 0, j = 0) → Na + NaLi Reaction on a New Neural Network Potential Energy Surface.

The ultracold reaction offers a unique opportunity to elucidate the intricate microscopic mechanism of chemical reactions, and the Na2Li system serves as a pivotal reaction system in the investigation of ultracold reactions. In this work, a high-precision potential energy surface (PES) of the Na2Li system is constructed based on high-level ab initio energy points and the neural network (NN) method, and a proper asymptotic functional form is adopted for the long-range interaction, which is suitable for the study of cold or ultracold collisions. Based on the new NN PES, the dynamics of the Li + Na2 (v = 0, j = 0) → Na + NaLi reaction are studied in the collision energy range of 10-7 to 80 cm-1. In the high collision energy range of 8 to 80 cm-1, the dynamics of the reaction is studied using the time-dependent wave packet method and the statistical quantum mechanical (SQM) method. Comparing the results of the two methods, it is found that the SQM method provides a rough description of the product ro-vibrational state distribution but overestimates the integral cross-section values. With the decrease of collision energy, the reaction differential cross section gradually changes from forward-backward symmetric scattering to predominant forward scattering. In the low collision energy range from 10-7 to 8 cm-1, the SQM method is used to study the reaction dynamics, and the rate constant in the Wigner threshold region is estimated to be 2.87 × 10-10 cm3/s.

Dynamical study of optical soliton structure to the nonlinear Landau–Ginzburg–Higgs equation through computational simulation

Dynamical study of optical soliton structure to the nonlinear Landau–Ginzburg–Higgs equation through computational simulation

Synthesis, molecular dynamics simulation, and evaluation of biological activity of novel flurbiprofen and ibuprofen-like compounds.

The frequent use of anti-inflammatory drugs and the side effects of existing drugs keep the need for new compounds constant. For this purpose, flurbiprofen and ibuprofen-like compounds, which are frequently used anti-inflammatory compounds in this study, were synthesized and their structures were elucidated. Like ibuprofen and flurbiprofen, the compounds contain a residue of phenylacetic acid. On the other hand, it contains a secondary amine residue. Thus, it is planned to reduce the acidity, which is the biggest side effect of NSAI drugs, even a little bit. The estimated ADME parameters of the compounds were evaluated. Apart from internal use, local use of anti-inflammatory compounds is also very important. For this reason, the skin permeability values of the compounds were also calculated. And it has been found to be compatible with reference drugs. The COX enzyme inhibitory effects of the obtained compounds were tested by in vitro experiments. Compound 2a showed significant activity against COX-1 enzyme with an IC50 = 0.123 + 0.005 μM. The interaction of the compound with the enzyme active site was clarified by molecular dynamics studies.

Universal Measurement-Based Quantum Computation in a One-Dimensional Architecture Enabled by Dual-Unitary Circuits.

A powerful tool emerging from the study of many-body quantum dynamics is that of dual-unitary circuits, which are unitary even when read "sideways," i.e., along the spatial direction. Here, we show that this provides the ideal framework to understand and expand on the notion of measurement-based quantum computation (MBQC). In particular, applying a dual-unitary circuit to a many-body state followed by appropriate measurements effectively implements quantum computation in the spatial direction. We show how the dual-unitary dynamics generated by the dynamics of the paradigmatic one-dimensional kicked Ising chain with certain parameter choices generate resource states for universal deterministic MBQC. Specifically, after k time steps, equivalent to a depth-k quantum circuit, we obtain a resource state for universal MBQC on ∼3k/4 encoded qubits. Our protocol allows generic quantum circuits to be "rotated" in space-time and gives new ways to exchange between resources like qubit number and coherence time in quantum computers. Beyond the practical advantages, we also interpret the dual-unitary evolution as generating an infinite sequence of new symmetry-protected topological phases with spatially modulated symmetries, which gives a vast generalization of the well-studied one-dimensional cluster state and shows that our protocol is robust to symmetry-respecting deformations.

Simple 3D spheroid cell culture model for studies of prion infection.

Mouse neuronal CAD 5 cell line effectively propagates various strains of prions. Previously, we have shown that it can also be differentiated into the cells morphologically resembling neurons. Here, we demonstrate that CAD 5 cells chronically infected with prions undergo differentiation under the same conditions. To make our model more realistic, we triggered the differentiation in the 3D culture created by gentle rocking of CAD 5 cell suspension. Spheroids formed within 1 week and were fully developed in less than 3 weeks of culture. The mature spheroids had a median size of ~300 μm and could be cultured for up to 12 weeks. Increased expression of differentiation markers GAP 43, tyrosine hydroxylase, β-III-tubulin and SNAP 25 supported the differentiated status of the spheroid cells. The majority of them were found in the G0/G1 phase of the cell cycle, which is typical for differentiated cells. Moreover, half of the PrPC on the cell membrane was N-terminally truncated, similarly as in differentiated CAD 5 adherent cells. Finally, we demonstrated that spheroids could be created from prion-infected CAD 5 cells. The presence of prions was verified by immunohistochemistry, western blot and seed amplification assay. We also confirmed that the spheroids can be infected with the prions de novo. Our 3D culture model of differentiated CAD 5 cells is low cost, easy to produce and cultivable for weeks. We foresee its possible use in the testing of anti-prion compounds and future studies of prion formation dynamics.

Effective intervention of brucellosis prevention in developing countries: A dynamic modelling study

ObjectiveBrucellosis has a considerable impact on human health and the economy in developing countries. In China, the biggest developing country, brucellosis shifted spread of the epidemic from northern to southern regions. Understanding the transmission characteristic of brucellosis on Hunan province, located in central China, is of great significance for successful control. MethodsWe developed a multi-population and multi-route dynamic model (MPMRDM), which is an animal-human-environment coupled model. The model is an extension of the SEIR model, taking into account direct transmission and indirect transmission. We used the model to explore the spread of brucellosis and evaluate the effectiveness of various intervention strategies. ResultsThe animal-to-animal transmission rate was the highest at 5.14 × 10−8, while the environment-to-person transmission rate was the lowest at 9.49 × 10−12. The mean R0 was 1.51. The most effective intervention was taking personal protection, followed by shortening the infection period. Shortening the infection period combined with personal protection is the most effective two-combined intervention strategy. After any comprehensive intervention strategy was implemented, TAR dropped by 90% or more. ConclusionThe results demonstrate that animal transmission route is essential for controlling human brucellosis. Strengthening personal protection, early detection, and early treatment can effectively control the trend of brucellosis. These results can provide an important reference for optimizing brucellosis intervention plans.

Molecular dynamics study of the anticorrosive lubricating effects and interfacial behavior of dicarboxylic acid alcohol amine

In this study, water-soluble additives with excellent performance were designed, and their anticorrosive, tribological characteristics, and antibacterial properties were evaluated. Combined with molecular dynamics (MD), the interfacial behavior of additives on metal surfaces was investigated at the atomic scale. The results showed that the additive molecules could reduce the wear rate of ethylene glycol aqueous (EGaq) by 94.7 %, exhibiting excellent anticorrosive efficiency while also possessing certain antibacterial properties. MD results indicated that the additive could firmly adhere to the metal surface due to its higher electron transfer rate, and the interfacial interaction energy increased with the extension of the carbon chain. The coexistence of longer alkyl chains and frictionally active elements ensured the overall stability of the adsorption film.

Sustaining clean cooking: A system dynamics study of Ghana's rural LPG promotion program

Household air pollution is a pervasive environmental health problem wherever access to cleaner fuels is poor. Despite numerous attempts to transition households away from polluting fuels, interventions are rarely sustainable. This intractability indicates that structural (i.e., systemic) dynamics act to maintain the status quo. In this case study of Ghana's Rural Liquefied Petroleum Gas (LPG) Promotion Program, our objectives were to 1) identify system structures affecting sustained fuel use, and 2) test strategies for improving intervention outcomes. To address these objectives, we applied a system dynamics approach, informed by a systematic literature review. A virtual simulation model was constructed to represent the implementation of the Rural LPG Program and its outcomes. By analyzing the model's structure and behavior, we proposed strategies that would improve the intervention's outcomes and tested the effectiveness of the strategies within the simulation model. Our results show that distributing two LPG cylinders to households (instead of one) contributed toward primary use of the fuel, whereas free weekly delivery of LPG (for up to four years) had limited long-term benefits and diminishing returns. Furthermore, reducing the time for users to perceive the benefits of cleaner fuels enhanced willingness-to-pay, and thereby helped to sustain higher rates of LPG use. This suggests that intervention planners should identify new users' expectations of benefits and proactively design ways to realize those benefits quickly (in a few weeks or less), while policy makers should support this as a design requirement in approval processes.

An innovative joint-space dynamic theory for mobile multi-axis system with unilateral constraint

The wheel-ground unilateral constraint is essential in establishing the complete mobile multi-axis system dynamics. To reduce the calculation complexity and improve the dynamic performance, an innovative joint-space dynamic theory for mobile multi-axis systems with unilateral constraints is proposed. This present study builds on our existing explicit dynamics studies of tree-chain rigid multi-axis systems. By analyzing the formulation of the unilateral constraints, the complexity of establishing the constraint equations is reduced while the physical implications are clear. The constraint equations are derived and established based on the explicit partial derivative equations, where the expression of the constraint equations is greatly simplified. Then, based on the process of backward force iteration and in combination with the derived dynamic and unilateral constraint equations, the solution and analytical procedure for unilateral constraints are presented. The accuracy of the proposed method is proved by the three-wheeled multi-axis system and Mars rover examples. The proposed method is explicit, canonical, and symbolic and has the advantages of simple modeling and low computational complexity, which is analyzed by comparing it with the Open Dynamic Engine's approach.

ANALYSIS OF THE WIND REGIME OF LUTSK IN THE CONTEXT OF REGIONAL MANIFESTATIONS OF CLIMATE CHANGES

Introduction. Setting objectives. The environment of our life activities, its comfort and favorability largely depend on the parameters of the microclimate. One of these parameters is the wind mode. The scientific study is devoted to the topical issues of studying the wind regime of Lutsk during the last 50 years in the context of global climate changes and microclimatic features of the wind profile in the area of influence of the Beehive House. Purpose of the article. The purpose of the work is to study the wind regime in the city of Lutsk, its ecological impact, bio-ecological impact on humans and changes occurring in the context of global warming processes and restructuring of the typical course of meteorological indicators in the region. Results of the research: Changes in the wind regime of Lutsk during 1971-2020 were determined; three periods with different nature of indicators are highlighted; the peculiarities of the city's influence on the wind regime and the reverse influence of the wind on the city's microclimate were evaluated using the example of studying the wind profile in the area of influence of the Beehive House; a number of graphs, diagrams, tables were built; a number of measures are proposed that will help improve the ecological condition of the city's territory in the context of climate change. The wind regime of the city of Lutsk is formed under the influence of general circulation factors, as well as the nature of the underlying surface, the type of urban development, the topography of the city, available green areas and water bodies. In general, the wind regime of Lutsk is favorable, average wind speeds vary between 3.5-4.0 m/s, maximum gusts reach 16-20 m/s, during the year the prevailing winds are from the west, north-west, south-west directions, which is consistent with the general type of westerly transfer of air masses. The development of the city, its shape, location, configuration of individual buildings has a significant impact on the wind profile, as research in the area adjacent to the Beehive House has shown. The study of the annual dynamics of average wind speeds for 1971-2020 showed that three different periods can be distinguished in this time interval: the first period: 1971-1981, had a wind regime typical of the climatic norm, with average annual speeds of 3-3.3 m/s and increased maximum wind speeds. The second period: 1982-2000, had uneven dynamics of average annual wind speeds, their increase or decrease in individual years by 30-50% compared to the norm; the nature of the maximum values of wind speeds was also uneven. The third period: 2001-2020, which continues, is characterized by a decrease in average annual and average maximum wind speeds by 10-20% below the climatic norm, smoothed nature of the wind regime in the city. This is, in general, a favorable wind regime for human health and well-being and for carrying out economic activities of various kinds. The scientific novelty: for the first time for the city of Lutsk, a comprehensive statistical and graphic analysis of wind regime indicators and their changes over 50 years (1971 - 2020) was carried out, and the features of the impact on the microclimate of a complex architectural structure - the Beehive House, the largest residential building in Europe - were assessed. Practical significance: the results of the conducted research can be used in educational and training activities, to solve the tasks of planning the urban area, planning the construction of new industrial facilities or increasing the capacities of existing ones, building and reconstruction of quarters and microdistricts of the city of Lutsk, to assess the wind energy potential, to assess the spread of pollutants substances from generators, many of which appeared in our city this winter due to the war, from communal and industrial facilities. Keywords: wind, wind regime, average wind speed, repeatability of wind direction, microclimate of the city, environmental impact.

Strength and functionalized borage biochar for effective elimination of nickel contamination: Insight into batch and dynamic flow mode treatment applications

A silica gel-modified borage biochar (BB@Si) was first produced and used as a binding agent for potentially hazardous Ni2+ ions in aqueous systems. The recommended biochar was more effective in eliminating Ni2+ than pristine biochar (BB). Its maximum qm could reach up to 1.39 × 10−3 mol/g at 30 °C, and sorption isotherms showed that the Langmuir model could more accurately define its sorption behavior. The Dubinin-Radushkevich isotherm also revealed that the average sorption energy ranged from 11.00 to 11.14 kJ/mol. Zeta potential tests, SEM images, and FT-IR scans confirmed the interactions between BB@Si and Ni2+ ions. Dynamic flow treatment studies showed high uptake effectiveness when the flow rate and amount of BB@Si were suitable. Nickel desorption yield of around 80% from BB@Si was noted with 0.01 M HCl. The BB@Si column's breakthrough and exhausted points were identified to be 45 and 352 min, respectively. Its maximum exhaustion capacity value was determined to be 52.73 mg/g. Ni2+ removal from the actual wastewater sample exceeded 75%. The resulting outcomes imply the immense potential of employing BB@Si in the treatment of Ni2+– contaminated aqueous systems.