Direct Coordination Research Articles

Advances in the modeling and dynamic simulation of reeving systems using the arbitrary Lagrangian–Eulerian modal method

This paper presents new advances in the arbitrary Lagrangian–Eulerian modal method (ALEM) recently developed for the systematic simulation of the dynamics of general reeving systems. These advances are related to a more convenient model of the sheaves dynamics and the use of axial deformation modes to account for non-constant axial forces within the finite elements. Regarding the sheaves dynamics, the original formulation uses kinematic constraints to account for the torque transmission at the sheaves by neglecting the rotary inertia. One of the advances described in this paper is the use of the rotation angles of the sheaves as generalized coordinates together with the rope-to-sheave no-slip assumption as linear constraint equations. This modeling option guarantees the exact torque balance at the sheave without including any nonlinear kinematic constraint. Numerical results show the influence in the system dynamics of the sheave rotary inertia. Regarding the axial forces within the finite elements, the original formulation uses a combination of absolute position coordinates and transverse local modal coordinates to account for the rope absolute position and deformation shape. The axial force, which only depends on the absolute position coordinates, is constant along the element because linear shape functions are assumed to describe the axial displacements. For reeving systems with very long rope spans, as the elevators of high buildings, the constant axial force is inaccurate because the weight of the ropes becomes important and the axial force varies approximately linearly within the rope free span. To account for space-varying axial forces, this paper also introduces modal coordinates in the axial direction. Numerical results show that a set of three modal coordinates in the axial direction is enough to simulate linearly varying axial forces.

Photocatalytic Multielectron Reduction of Nitroarenes to Anilines by Utilizing an Electron-Storable Polyoxometalate-Based Metal-Organic Framework.

A powerful approach to generate photocatalysts for the highly selective reduction of nitrobenzene using light as the driving force is a combination of photosensitizers and electron-storable components in a cooperative photocatalysis fashion. Herein, a new precious metal-free photocatalyst, {ZnW-TPT}, was prepared by incorporating a Zn-substituted monovacant Keggin polyanion [SiZnW11O39]6- and a photoactive organic bridging link 2,4,6-tri(4-pyridyl)-1,3,5-triazine (TPT) into a framework. In this structure, the direct coordination bond between [SiZnW11O39]6- and the TPT ligand and the π-π interactions between TPT molecules help separate and migrate photogenerated carriers, which improves the photocatalytic activity of {ZnW-TPT}. The photoelectrochemical properties of {ZnW-TPT} were well studied by solid UV-vis absorption, fluorescence, transient photocurrent response, and electrochemical impedance spectroscopy tests. {ZnW-TPT} efficiently converts using hydrazine hydrate with 99% conversion and 99% selectivity for anilines under mild conditions.

Functional Disruption of Gli1-DNA Recognition via a Cobalt(III) Complex.

The aberrant activation of the Gli family of zinc finger transcription factors (ZFTFs) is associated with several types of human cancer, including medulloblastoma and basal cell carcinoma. We have reported the use of cobalt(III) Schiff-base complexes (Co(III)-sb) as potent inhibitors of ZFTFs in vivo. These complexes inhibit transcription by displacing the zinc finger domain's structural Zn(II) ion, destabilizing the alpha helix necessary for DNA recognition. Here, we describe the use of Co(III)-sb complexes for the selective inhibition of Gli1. Spectroscopic and computational studies of the Gli1 DNA binding domain found that Co(III)-sb displaced Zn(II) through direct coordination with the His residues of the Cys2 His2 Zn(II) binding site. As a result, there is a dose-dependent degradation of the alpha-helix content in the DNA binding domain of Gli1 and corresponding inhibition of consensus sequence recognition. We conclude that this strategy is well suited for the development of new and potent inhibitors of Gli1.

Designing a Polyoxometalate-Incorporated Metal-Organic Framework for Reduction of Nitroarenes to Anilines by Sequential Proton-Coupled Electron Transfers.

Developing new photocatalysts for reduction of nitroarenes to anilines under mild conditions is very significant. Herein, a new polyoxometalate-based metal-organic framework (POMOF), {[Co(H2O)]2[Co2(H2O)6(TPT)][Co(TPT)PW11O39]}·3H2O·TPT (namely, CoW-TPT, TPT = 2,4,6-tri(4-pyridyl)-1,3,5-triazine), was prepared by incorporating Co(II)-substituted Keggin-type anions [PCoW11O39]5- and a photosensitizer (TPT) into a framework. In this structure, the direct coordination bond between [PCoW11O39]5- and TPT ligand and π···π interactions between TPT molecules are beneficial for the separation and migration of photogenerated carriers, thus improving the photocatalytic activity of CoW-TPT. The combination of both photosensitizer TPT and the electron-storable component [PCoW11O39]5- in a cooperative photocatalysis fashion is conducive to the photocatalytic multielectron reduction of nitroarenes. CoW-TPT provided a high conversion of 94.71% in the photocatalytic reduction of nitroarenes to anilines utilizing triethanolamine as the proton source and electron donor by sequential proton-coupled electron transfers.

Pseudo-Kähler-Einstein geometries

Solutions to vacuum Einstein field equations with cosmological constant, such as the de Sitter space and the anti-de Sitter space, are basic in different cosmological and theoretical developments. It is also well known that complex structures admit metrics of this type. The most famous example is the complex projective space endowed with the Fubini-Study metric. In this work, we perform a systematic study of Einstein complex geometries derived from a logarithmic K\"ahler potential. Depending on the different contribution to the argument of such logarithmic term, we shall distinguish among direct, inverted and hybrid coordinates. They are directly related to the signature of the metric and determine the maximum domain of the complex space where the geometry can be defined.

The Interactive Relationships between the Tourism-Transportation-Ecological Environment System of Provinces along the ‘Silk Road Economic Belt’ in China

Taking nine provinces and cities along the ‘Silk Road Economic Belt’ as an example, this paper constructs an evaluation index system of the coupling coordination degree of the tourism–transportation–ecological environment system (TTE system), analyzes the spatial–temporal evolution and regional differences of the coupling coordination level of the TTE system from 2004 to 2016 using the mean square error index model and the scissor difference model, and uses the EKC curve model to further verify the interactive relationship between the tourism economy and the ecological environment. The results show the following. (1) The comprehensive evaluation values of the tourism subsystem and transportation subsystem are on an overall upward trend and the comprehensive evaluation value of the ecological environment subsystem is in constant flux. (2) The coupling coordination degree of the TTE system generally develops in a good coordination direction, but the conversion rate of the coupling coordination degree of each province is different. (3) Regarding the north–south region divergence, the degree of coupling and coordination within the region is “strong in the south and weak in the north”. (4) The tourism subsystem and the transportation subsystem are interdependent and mutually restrictive. (5) There is a strong correlation between tourism, economic growth, and environmental quality, but in most provinces, the relationship between them does not accord with the inverted U-shaped environmental Kuznets curve.

Assessment of scientific gaps related to the effective environmental management of deep-seabed mining

A comprehensive understanding of the deep-sea environment and mining’s likely impacts is necessary to assess whether and under what conditions deep-seabed mining operations comply with the International Seabed Authority’s obligations to prevent ‘serious harm’ and ensure the ‘effective protection of the marine environment from harmful effects’ in accordance with the United Nations Convention on the Law of the Sea. A synthesis of the peer-reviewed literature and consultations with deep-seabed mining stakeholders revealed that, despite an increase in deep-sea research, there are few categories of publicly available scientific knowledge comprehensive enough to enable evidence-based decision-making regarding environmental management, including whether to proceed with mining in regions where exploration contracts have been granted by the International Seabed Authority. Further information on deep-sea environmental baselines and mining impacts is critical for this emerging industry. Closing the scientific gaps related to deep-seabed mining is a monumental task that is essential to fulfilling the overarching obligation to prevent serious harm and ensure effective protection, and will require clear direction, substantial resources, and robust coordination and collaboration. Based on the information gathered, we propose a potential high-level road map of activities that could stimulate a much-needed discussion on the steps that should be taken to close key scientific gaps before any exploitation is considered. These steps include the definition of environmental goals and objectives, the establishment of an international research agenda to generate new deep-sea environmental, biological, and ecological information, and the synthesis of data that already exist.

Enhanced anisotropic block-based adaptive mesh refinement for three-dimensional inviscid and viscous compressible flows

A parallel anisotropic block-based adaptive mesh refinement (AMR) algorithm is proposed for the prediction of physically complex flow problems having disparate spatial and temporal scales and exhibiting highly anisotropic features on three-dimensional multi-block body-fitted hexahedral meshes with non-uniform grid blocks. The proposed AMR scheme makes use of a binary tree hierarchical data structure to permit anisotropic refinement of grid blocks in a preferred coordinate direction as dictated by appropriately selected physics-based refinement criteria. The anisotropic coarsening of the grid blocks in a manner that is independent of the refinement history allows the mesh to rapidly re-adapt for evolving unsteady flow applications. Moreover, the proposed anisotropic AMR scheme adopts a non-uniform representation of the cells within each block by directly using the neighboring cells as the ghost cells, even at a grid resolution change. This affords a number of computational advantages especially related to evaluating the solution in the ghost cells as well as to ensuring flux conservation at block interfaces. A modified upwind-based finite-volume spatial discretization scheme is applied in conjunction with the AMR scheme to the solution of Euler and Navier-Stokes equations for inviscid and viscous compressible gaseous flows. Steady-state and time-varying flow problems are considered on anisotropic adapted meshes. The potential flexibility and efficiency of the proposed enhanced anisotropic AMR scheme are demonstrated for the simulation of a number of representative flows of varying complexity.

Automation of aeronautical information processing based on multi-agent technologies

Progress in the development of computer engineering provides an opportunity to address a wider variety of challenges using computer software systems. The task of automatic aeronautical navigation information processing is referred to the number of such issues. This stipulates the necessity to adopt new approaches to design and develop similar systems. One of these approaches is based on the application of the collective activity idea of a set of agents – multi-agent technologies. In this regard, the purpose of the article is to consider the features of the automated aeronautical navigation information processing implementation on the basis of multi-agent technologies. To achieve this goal, the problem-structural methodology of hybrid systems synthesis, which allows us to create self-organizing models, was selected. Each element of which develops, obtaining data and knowledge from other elements. In the research process, a formal definition of the multi-agent system of automatic aeronautical information processing is presented, which involves a set of agents, environment of agent functioning, a set of permissible relations between agents, description of rules for forming a network of agents, a set of individual and joint actions, communication interactions, behavior and actions strategies, a possibility of system evolution. Furthermore, an emphasis is placed on the description of each agent. For this purpose, the authors propose to use four elements: a set of variables, inputs and outputs, an autonomous technique that performs appropriate changes over a set of variables. As agents, the paper comes up with the idea to use the following: Pilots Notification Agent, Preflight Information Bulletin Agent, Data Generation Agent, Aviation Processes Agent, Aviation Database Generation Agent, Aeronautical Maps Creation Agent, Aeronautical Data Set Export/Import Agent, Publications and References Agent. In addition, the article presents the multi-agent system diagram of automated aeronautical information processing and describes in detail processing an application in the agent using the mathematical expression. The results, obtained in the course of investigations, can be used to improve the effectiveness of the analytical component in the structure of the system to form the direct and reverse coordination relationship while solving aerial navigation problems.

Examination and Forecast of Relationship among Tourism, Environment, and Economy: A Case Study in Shandong Province, China.

Correctly understanding and handling the relationship of tourism industry, ecological environment, and regional economy is an important prerequisite and foundation for realizing regional ecological protection and high-quality development. Based on the entropy method and the coupling coordination model, this paper conducts quantitative research on the coupling coordination relationship and development law of tourism industry–ecological environment–regional economic (TEE) in various cities in Shandong Province. First, a coupling coordination evaluation system of TEE was constructed to evaluate the comprehensive development level of the three systems in each city in Shandong Province from 2010 to 2017; secondly, based on the coupling coordination model, the relationship among the three systems of each city was analyzed using spatial and temporal dimensions; finally, the gray GM (1, 1) model was used to predict the future coupling coordination degree of the three systems in Shandong Province. The research results show that: (1) the development of the economy and tourism industry of cities in Shandong Province is highly correlated, and the overall trend is increasing. The ecological environment mainly changes first, and then rises. (2) From the perspective of time, the changes in the coupling coordination degree of the three systems are mainly to maintain stability and increase fluctuations, and generally develop in the direction of benign coordination. From a spatial perspective, the coupling coordination degree of the three systems shows significant regional integrity and differences, showing a pattern of high in the east and low in the west. (3) In the next few years, the coupling coordination degree of the three systems will roughly continue the characteristics of changes from 2010 to 2017.

Separation of minor actinides from highly acidic solutions using diglycolamide modified mesoporous silica synthesized via a novel “ring-opening click” reaction

Solid-phase extraction represents a promising approach for partitioning of trivalent minor actinides (MAs) from high-level liquid waste, which is crucial for the decontamination of radioactive waste. However, highly acidic effluents poseaformidablechallengefor extraction materials. Herein, the diglycolamide ligands functionalized mesoporous silica robust matrixs were prepared, resulting in rapid and efficient separation of MAs from strong nitric acid media. This paper reports the first modification of SBA-15-type mesoporous silica through a “ring-opening click” reaction under mild conditions. Five modified silica materials with monolayer diglycolamide ligands containing different terminal groups were obtained using low temperature (0–25 °C) procedures. The rigid and open pore structure of SBA-15 is retained under such mild conditions, allowing facile diffusion and open access to the monolayer ligands. The functionalized product SBA-15-DEDGA exhibited a strong affinity for trivalent MAs in highly acidic solutions and could separate trace amounts of radioactive Am(III) from 1 to 8 M nitric acid solutions with high efficiency (> 98%) within 1 min; the largest distribution coefficient exceeded 5 × 104 mL/g. Solid-state nuclear magnetic resonance spectroscopy combined with X-ray photoelectron spectroscopy of Eu(III) revealed that the binding mechanism involves direct coordination of Eu(III) to a tridentate oxygen-binding site. Additionally, selective separation of americium from curium was achieved with separation factors up to 191 ± 20 through oxidation of Am(III) by sodium persulfate. The superlative and efficient sorption performance of these materials demonstrates their utility in the immobilization of trivalent actinides and the separation of americium from curium.

Prickle isoform participation in distinct polarization events in the Drosophila eye.

Planar cell polarity (PCP) signaling regulates several polarization events during development of ommatidia in the Drosophila eye, including directing chirality by polarizing a cell fate choice and determining the direction and extent of ommatidial rotation. The pksple isoform of the PCP protein Prickle is known to participate in the R3/R4 cell fate decision, but the control of other polarization events and the potential contributions of the three Pk isoforms have not been clarified. Here, by characterizing expression and subcellular localization of individual isoforms together with re-analyzing isoform specific phenotypes, we show that the R3/R4 fate decision, its coordination with rotation direction, and completion of rotation to a final ±90° rotation angle are separable polarization decisions with distinct Pk isoform requirements and contributions. Both pksple and pkpk can enforce robust R3/R4 fate decisions, but only pksple can correctly orient them along the dorsal-ventral axis. In contrast, pksple and pkpk can fully and interchangeably sustain coordination of rotation direction and rotation to completion. We propose that expression dynamics and competitive interactions determine isoform participation in these processes. We propose that the selective requirement for pksple to orient the R3/R4 decision and their interchangeability for coordination and completion of rotation reflects their previously described differential interaction with the Fat/Dachsous system which is known to be required for orientation of R3/R4 decisions but not for coordination or completion of rotation.

A Semi-Lagrangian Computation of Front Speeds of G-equation in ABC and Kolmogorov Flows with Estimation via Ballistic Orbits

The Arnold-Beltrami-Childress (ABC) flow and the Kolmogorov flow are three dimensional periodic divergence free velocity fields that exhibit chaotic streamlines. We are interested in front speed enhancement in G-equation of turbulent combustion by large intensity ABC and Kolmogorov flows. We give a quantitative construction of the ballistic orbits of ABC and Kolmogorov flows, namely those with maximal large time asymptotic speeds in a coordinate direction. Thanks to the optimal control theory of G-equation (a convex but non-coercive Hamilton-Jacobi equation), the ballistic orbits serve as admissible trajectories for front speed estimates. To study the tightness of the estimates, we compute the front speeds of G-equation based on a semi-Lagrangian (SL) scheme with Strang splitting and weighted essentially non-oscillatory (WENO) interpolation. Time step size is chosen so that the Courant number grows sublinearly with the flow intensity. Numerical results show that the front speed growth rate in terms of the flow intensity may approach the analytical bounds from the ballistic orbits.

SPECIFICS OF CALCULATING AREAS OF CITY BLOCKS BY UTILIZING THE PHOTOGRAMMETRIC (PHOTOTHEODOLITE) METHOD

The definition of the territory of urban development by various methods, including such as geodetic, photogrammetric and cartographic, is considered. It is found that the use of geodetic methods with direct coordination of contour points of the figure on the ground allows to obtain the most accurate and reliable result. The advantages and disadvantages of using photogrammetric method of research located in a closed area, where you can not always see the entire contour of the area. It is noted that when processing aerial photographs, regardless of what they were obtained, there are questions of correct decoding. In the process of decoding is finding the right area, which is associated with the correct location of the contour surrounding the area. It is proved that photogrammetric methods for determining the area remain priority methods that helps to proper allocation of time and funding through the use of such an approach. Problems of using quasi-aerial photographs taken from a height of about 2 km are described. The main obstacles that arise when processing aerial photographs are analyzed, namely - correct decoding, which depends on the openness of the territory in which the city district is located, that is the presence of dead zones. Recommendations are given to eliminate problems that occur in dead zones where 3D measurements are virtually impossible, for example, in this case, you can use either multiple measurements or a comparative method with other methods of determining areas.

A Hermite Method with a Discontinuity Sensor for Hamilton–Jacobi Equations

We present a Hermite interpolation based partial differential equation solver for Hamilton-Jacobi equations. Many Hamilton-Jacobi equations have a nonlinear dependency on the gradient, which gives rise to discontinuities in the derivatives of the solution, resulting in kinks. We built our solver with two goals in mind: 1) high order accuracy in smooth regions and 2) sharp resolution of kinks. To achieve this, we use Hermite interpolation with a smoothness sensor. The degrees-of freedom of Hermite methods are tensor-product Taylor polynomials of degree $m$ in each coordinate direction. The method uses $(m+1)^d$ degrees of freedom per node in $d$-dimensions and achieves an order of accuracy $(2m+1)$ when the solution is smooth. To obtain sharp resolution of kinks, we sense the smoothness of the solution on each cell at each timestep. If the solution is smooth, we march the interpolant forward in time with no modifications. When our method encounters a cell over which the solution is not smooth, it introduces artificial viscosity locally while proceeding normally in smooth regions. We show through numerical experiments that the solver sharply captures kinks once the solution losses continuity in the derivative while achieving $2m+1$ order accuracy in smooth regions.

Artificial Intelligence Resolves Kinetic Pathways of Magnesium Binding to RNA.

Magnesium is an indispensable cofactor in countless vital processes. In order to understand its functional role, the characterization of the binding pathways to biomolecules such as RNA is crucial. Despite the importance, a molecular description is still lacking since the transition from the water-mediated outer-sphere to the direct inner-sphere coordination is on the millisecond time scale and therefore out of reach for conventional simulation techniques. To fill this gap, we use transition path sampling to resolve the binding pathways and to elucidate the role of the solvent in the binding process. The results reveal that the molecular void provoked by the leaving phosphate oxygen of the RNA is immediately filled by an entering water molecule. In addition, water molecules from the first and second hydration shell couple to the concerted exchange. To capture the intimate solute–solvent coupling, we perform a committor analysis as the basis for a machine learning algorithm that derives the optimal deep learning model from thousands of scanned architectures using hyperparameter tuning. The results reveal that the properly optimized deep network architecture recognizes the important solvent structures, extracts the relevant information, and predicts the commitment probability with high accuracy. Our results provide detailed insights into the solute–solvent coupling which is ubiquitous for kosmotropic ions and governs a large variety of biochemical reactions in aqueous solutions.

Thermally Induced Flexural Vibration Problem of Inhomogeneous Rectangular Plates: When Temperature Change at the Bottom Surface Is Kept at Zero

Herein, a thermally induced flexural vibration problem of inhomogeneous rectangular plates in which the material constants are given as a power of the coordinate in the thickness direction is considered. Assuming that the top surface of the plate uniformly receives cyclic heat supply and that the bottom surface is kept at zero temperature change, a problem of 1D heat conduction in an unsteady state in the inhomogeneous plate is analyzed theoretically. Analytical solutions of temperature change, deflection, and stresses in the plate with simply supported edges in which power exponents in the material constants are free from any constraints are derived. Performing numerical calculations, an effect of inhomogeneity in the specific heat capacity on amplitude and phase shift in temperature change inside of plate is clarified. To evaluate the influence of inhomogeneity in the material constants on the inertia effect in the thermoelastic response of the plate, amplification factors are defined as ratios of maximum amplitudes in dynamic solutions of deflection and stresses to those in quasistatic solutions. It is clarified that amplification factors in deflection and stresses of the plate are significantly affected by inhomogeneity in the Young's modulus of elasticity and the mass density.

Comparison between terbium-doped carbon dots and terbium-functionalized carbon dots: Characterization, optical properties, and applications in anthrax biomarker detection

Rare earth-carbon dots (RE-CDs) nanomaterials combine the merits of both RE and CDs, which have been the promising candidates in the biochemical sensing field. Owing to the diversity of synthetic methods and precursors, the electronic structure, optical properties and sensing performances of RE-CDs vary greatly. Nevertheless, a comparing study focusing on the synthetic methods of RE-CDs using same precursors has not been reported to date. To facilitate the exploration of the interaction mechanisms for RE–CDs, same precursors (folic acid and terbium nitrate) were used to synthesize RE-CDs via two most common fabrication methodologies (doping and direct coordination) in this study. The morphologies, surface groups, and optical properties of the as-prepared terbium-doped CDs (Tb-CDs) and terbium functionalized CDs (Tb@CDs) were comprehensively compared and analyzed. The anthrax biomarker (dipicolinic acid, DPA) sensing performances of both RE-CDs were also evaluated. Taking the original CDs without terbium as control, the Tb-CDs had higher quantum yield (QY) and longer fluorescence lifetime, and the fluorescence emission peak was red-shifted, suggesting the effective passivation of surface defects. On the contrary, QY and fluorescence lifetime of Tb@CDs decreased, and the emission peak remained unchanged, indicating that interaction between free Tb3+ and CDs led to the less excited electrons, similar to the fluorescence quenching behavior of metal ions on CDs. Further characterization also helped in demonstrating the different interaction mechanisms. Moreover, for the superior performance in DPA detection, Tb-CDs was chosen as the probe for the follow-up application. The Tb-CDs exhibited a sensitive response to DPA in the concentration range of 0.05–8 μM with the detection limit of 44 nM. In addition, it was successfully applied to real samples of running water and lake water.

High‐Voltage Aqueous Mg‐Ion Batteries Enabled by Solvation Structure Reorganization

AbstractHerein, an eco‐friendly and high safety aqueous Mg‐ion electrolyte (AME) with a wide electrochemical stability window (ESW) ≈3.7 V, containing polyethylene glycol (PEG) and low‐concentration salt (0.8 m Mg(TFSI)2), is proposed by solvation structure reorganization of AME. The PEG agent significantly alters the Mg2+ solvation and hydrogen bonds network of AMEs and forms the direct coordination of Mg2+ and TFSI‐, thus enhancing the physicochemical and electrochemical properties of electrolytes. As an exemplary material, V2O5 nanowires are tested in this new AME and exhibit initial high discharge/charge capacity of 359/326 mAh g‐1 and high capacity retention of 80% after 100 cycles. The high crystalline α‐V2O5 shows two 2‐phase transition processes with the formation of ε‐Mg0.6V2O5 and Mg‐rich MgxV2O5 (x ≈1.0) during the first discharge. Mg‐rich MgxV2O5 (x ≈1.0) phase formed through electrochemical Mg‐ion intercalation at room temperature is for the first time observed via XRD. Meanwhile, the cathode electrolyte interphase (CEI) in aqueous Mg‐ion batteries is revealed for the first time. MgF2 originating from the decomposition of TFSI‐ is identified as the dominant component. This work offers a new approach for designing high‐safety, low‐cost, eco‐friendly, and large ESW electrolytes for practical and novel aqueous multivalent batteries.

Nickel (II), copper (II), and vanadyl (II) complexes with tridentate nicotinoyl hydrazone derivative functionalized as effective catalysts for epoxidation processes and as biological reagents

BackgroundThe purpose of this research is to illustrate the synthesis, characterization, and reactivity of three new mononuclear complexes (NiSniL, CuSniL, and VOSniL) from the direct coordination of sodium sulfonate pyridylhydrazone (H2SniL) to Ni2+, Cu2+, and VO2+ ions, respectively. The reactivity was studied catalytically and biologically considering the type and nature of the central metal ion. MethodsThe spectral analysis of IR, NMR, and mass spectra, in addition, other essential tools (e.g., elemental and thermogravimetric analyses) were used as the main methods in the characterization of all studied compounds. All M2+-complexes showed high catalytic efficiency towards the 1,2-cyclooctene epoxidation with H2O2, in which the central metal ion presented an effective action in its complex catalyst for such catalytic processes. The significant findingsThe significant findings of the catalytic studies are summarized that VO-complex catalyst (95% after 2 h at 70 °C), with the high valence of VO2+ ion (V4+ ion), exhibited a little more efficiency than that of NiSniL and CuSniL (90 and 94% after 4 h at 70 °C) within low valence of Ni2+ and Cu2+ ion, respectively. The valid oxidation state (V4+/V5+) interchangeable behavior of V4+ ion, the high electrochemical reversibility, and the strong Lewis acid feature gave additional catalytic activity to VOSinL over the other studied complex catalysts. Catalytically, VOSniL catalyst could be assigned as a candidate for further industrial catalytic application, homogeneously. The effect of M2+ ion in their complexes was also biologically investigated. The reactivity of H2SniL, NiSniL, CuSniL, and VOSniL towards ctDNA was investigated spectrophotometrically and evaluated with viscosity which assigned valuable interaction. The interaction of the current compounds was estimated with the binding constant (4.11, 6.01, 6.15, and 6.22 × 108 mol−1 dm3, respectively), which referred to their high reactivity towards ctDNA. Also, the Gibbs’ free energy values for such interaction supported their high potential against ctNDA (-32.03, -32.96, -33.02, and -33.06 kJ mol−1, respectively). The investigated compounds were enhanced bioaction with ctDNA over their free ligand, which was observed with various potentials based on the M2+ type and displayed significant antimicrobial, antioxidant, and anticancer activities, and that were also supported within the molecular docking assessment. Therefore, from the obtained results, it could be suggested that our M-complexes with their effective antimicrobial, antioxidant, and cytotoxicity activity would be probably nominated for treatment of bacterial and fungal infections and could be also appraised clinically for further applications.