Multispectral analysis and molecular docking of a zinc (II) complex interaction with bovine serum albumin and studies on antibacterial properties, and catecholase mimicry of the complex.

This paper presents the synthesis process of a ligand known as 2-(naphthalene-1-yl)-1H-phenanthro[9,10-d]imidazole (NIP) and its metal complex with zinc (II), denoted as FA-128. The structural validation of FA-128 is accomplished through single-crystal X-ray diffraction (XRD). To explore the biological implications, FA-128's interaction with BSA is investigated.

Functional metal-organic frameworks derived electrode materials for electrochemical energy storage: a review.

Pristine metal-organic frameworks (MOFs) are built through self-assembly of electron rich organic linkers and electron deficient metal nodes coordinate bond. Due to the unique properties of MOFs like highly tunable frameworks, huge specific surface areas, flexible chemical composition, flexible structures and a large volume of pores, they are being used to design the electrode materials for electrochemical energy storage devices. As per the literature, MOFs (including manganese, nickel, copper, and cobalt-based zeolitic imidazolate frameworks (ZIFs), University of Oslo (UiO) MOFs, Hong Kong University of Science and Technology (HKUST) MOFs and isoreticular MOFs (IRMOFs)) have attracted much attention in the field of supercapacitors (SCs)/batteries.

SMOTE-Based Automated PCOS Prediction Using Lightweight Deep Learning Models.

Background: The reproductive age of women is particularly vulnerable to the effects of polycystic ovarian syndrome (PCOS). High levels of testosterone and other male hormones are frequent contributors to PCOS. It is believed that miscarriages and ovulation problems are majorly caused by PCOS.

Fabrication of Unique Mixed-Valent CoCo and CuCu Metal-Organic Frameworks (MOFs) for Desulfurization of Fuels: A Combined Experimental and Theoretical Approach toward Green Fuel.

Herein, metal-organic framework (MOF)-based adsorbents are designed with distinct hard and soft metal building units, namely, [CoCo(PD)(BP)] () and [CuCu(PD)(BP)] (), where HPD = pyrazine-1,4-diide-2,3-dicarboxylic acid and BP = 4,4'-bipyridine. The designed MOFs were characterized via spectral and SCXRD techniques, which confirm the mixed-valent states (+1 and +2) of the metal ions. Topological analysis revealed the rare and topologies for Co MOF, while Cu-MOF exhibits a unique topology in the 8-c net (point symbol for net: {4·6}).

AuCFSR: Authentication and Color Face Self-Recovery Using Novel 2D Hyperchaotic System and Deep Learning Models.

Color face images are often transmitted over public channels, where they are vulnerable to tampering attacks. To address this problem, the present paper introduces a novel scheme called Authentication and Color Face Self-Recovery (AuCFSR) for ensuring the authenticity of color face images and recovering the tampered areas in these images. AuCFSR uses a new two-dimensional hyperchaotic system called two-dimensional modular sine-cosine map (2D MSCM) to embed authentication and recovery data into the least significant bits of color image pixels.

Bifunctional Cu(II)-based 2D coordination polymer and its composite for high-performance photocatalysis and electrochemical energy storage.

Coordination polymers (CPs) have been widely proven as sacrificial electrode materials for energy storage applications because of their high porosity, specific surface area and tunable structural topology. In this work, a new 2D Cu(II)-based CP, formulated as [Cu(btc)(μ-Cl)(HO)] (CP-1) (Hbtc = benzene-1,3,5-tricarboxylic acid), fabrication of copper oxide nanoparticles (CuO NPs) and its composite (CuO@CP-1) were successfully synthesized using solvothermal, precipitation and mechanochemical grinding approaches. Single-crystal X-ray analysis authenticated a two-dimensional (2D) layered network of CP-1.

Suppression of human lysozyme aggregation by a novel copper-based complex of 3,4-dimethoxycinnamic acid.

In this work, a new Cu(II)-based complex as a chemotherapeutic drug agent, formulated as[Cu(DCA)(HO)]⋅4HO⋅4MeOH, (DCA = 3,4-dimethoxycinnamic acid), namely was successfully synthesized utilizing DCA as a ligand to arrest fibrillation in Human lysozyme. The was thoroughly characterized by single crystal X-ray diffraction (SC-XRD), spectroscopic (UV-Vis and FTIR) techniques, PXRD, and TGA analysis. Its crystal structure reveals a paddle wheel network around central copper metal ions.

A 3D copper (II) coordination polymer based on sulfanilic acid ligand (CP 1) for efficient biomolecular interaction with bovine serum albumin: spectroscopic, molecular modelling and DFT analysis.

Several biochemical reactions occur during the interaction of metal complexes and proteins due to conformational modifications in the structure of the protein, which provide fundamental knowledge of the effect, mechanism, and transport of many drugs throughout the body. Here, we report the synthesis, identification, and impact of the 3-dimensional Copper(II)sulfanilic acid coordination polymer (CP 1) on interactions with bovine serum albumin (BSA). The CP 1 was synthesized a simple hot stirring method, and the single crystal XRD confirms the effective bonding interactions between metal and organic ligand, forming a crystalline polymeric chain and the topological study shows the sql type of underlying net topology.

Studying the Symphonizing Effect of NLO Properties in Hydrated and Non-hydrated Donor Acceptor Complexes Formed Via Charge Transfer.

The present work intended to report the synthesis of newly designed donor-acceptor complexes of the pyrimidine-based system namely TAPHIA 1 and TAPHIA 2, which are symphonized to give the NLO properties. The methodologies adopted for both complexes were different and hence influenced their geometrical properties. The synthesized complexes were characterized using different techniques including SCXRD, FTIR, UV, PXRD, and TGA to confirm their formation.

Secure communication through reliable S-box design: A proposed approach using coset graphs and matrix operations.

Protection of sensitive information has been always the major security concern since decades to withstand against illegitimate access and usage. Substitution-boxes (S-boxes) are vital components of any modern day cryptographic system that allows us to ensure its resistance to attacks. The prime problem with creating S-box is that we are generally unable to discover a consistent distribution among its numerous features to withstand diverse cryptanalysis attacks.

Synthesis of 2D Metal-Organic Nanosheets (MONs) by Liquid Phase Exfoliation: Applications in Effective Delivery of Antiulcer Drugs and Selective Adsorption and Removal of Cationic Dyes.

Nowadays, the fabrication of 2D metal-organic nanosheets (2D MONs) has entered the research arena fascinating researchers worldwide. However, a lack of efficient and facile methods has remained a bottleneck for the manufacturing of these 2D MONs. Herein, a 2D metal-organic framework (MOF), i.

A bifunctionalised Pb-based MOF for iodine capture and dye removal.

A 2-dimensional Pb(II) metal-organic framework, [Pb(bdc)(py-Phen)NO] (SM-3), was synthesized under solvothermal conditions using a mixed ligand approach. SM-3 was assembled using dinuclear SBUs [Pb(COO)], an oxygen donor Hbdc = 1,4-benzene dicarboxylic acid, and nitrogen donor py-Phen = pyrazino[2,3-][1,10]-phenanthroline linkers. SM-3 was characterized by elemental analysis, FT-IR, powder-X-ray diffraction, thermal gravimetric analysis, SEM, EDS, TEM, and single-crystal X-ray diffraction techniques.

Ratiometric luminescent sensing of a biomarker for sugar consumption in an aqueous medium using a Cu(II) coordination polymer.

An innovative [Cu(Hadp)(Bimb)] (KA@CP-S3) coordination polymer expands its dimensionality from a 1D chain to a 2D network. The topological analysis reveals that KA@CP-S3 has 2-connected uninodal 2D topology. KA@CP-S3 has capable luminescent sensing for volatile organic compounds (VOCs), nitroaromatics, heavy metal ions, anions, disposed antibiotics (nitrofurantoin and tetracycline) and biomarkers.

Carbon Nanotubes Decorated with Coordination Polymers for Fluorescence Detection of Heavy-Metal Ions and Nitroaromatic Chemicals.

Herein, [Nd(NO)(Hpzdca)] (MA-1) was synthesized from a reaction of 2,3-pyrazinedicarboxylic acid [HPzdca] as an organic linker with salt of Nd(III) under solvothermal conditions. The detailed structural analysis for crystals was performed utilizing single-crystal X-ray diffraction (SCXRD). After that, the neodymium-based coordination polymer (MA-1) crystal was directly generated upon the surface of functionalized carbon nanotubes (F-CNTs) through bonds or affinity between F-CNTs and MA-1 via the solvothermal approach.

Synthesis of a Mixed-Ligand H-Bonded Cu Coordination Polymer: Exploring the pH-Dependent High Photocatalytic Degradation of Rhodamine 6G, Methyl Violet, Crystal Violet, and Rose Bengal Dyes under Room Illumination.

A new mixed-ligand H-bonded coordination polymer {[Cu(Or)(Bimb)]·4HO} () has been prepared hydrothermally using basic copper carbonate with 1,4-bis[(1-imidazol-1-yl)methyl]benzene (Bimb) and potassium orotate (OrK) ligands. According to topological studies, has a new topology with a three-connected uninodal net with point symbol (PS) {8·12}{8}. The was employed as a catalyst for screening of a series of harmful cationic, anionic, and neutral organic dyes in contaminated water.

Dual-Ligand Strategy Employing Rigid 2,5-Thiophenedicarboxylate and 1,10-Phenanthroline as Coligands for Solvothermal Synthesis of Eight Lanthanide(III) Coordination Polymers: Structural Diversity, DFT Study, and Exploration of the Luminescent Tb(III) Coordination Polymer as an Efficient Chemical Sensor for Nitroaromatic Compounds.

Lanthanide coordination polymers (Ln-CPs) are potential chemosensors when fabricated to depict a detectable change in optical properties on interaction with target analytes. This work investigates the interaction of nitroaromatic compounds with Ln-CPs leading to induced changes in fluorescence emission intensity, a crucial strategy to develop a selective and sensitive system for the sensing of nitroaromatics. Approaching toward this objective, solvothermal reactions of 2,5-thiophenedicarboxylic (2,5-TDC) acid, 1,10-phenanthroline (1,10-Phen), and Ln(NO)·HO are carried out to assemble eight Ln(III) coordination polymers [Ln(2,5-TDC)(1,10-Phen)(HO)] [Ln = Pr (), Nd ()], {[Tb(2,5-TDC)(1,10-Phen)(HO)]·DMF} (), and [Ln(2,5-TDC)(1,10-Phen)]·HO (Ln = Tb (), Dy (), Ho (), Er (), and Yb ()); = 0 for CP , , , and and = 1 for CP with two different space groups and dimensions.

Crystal structure and Hirshfeld surface analysis of 2,4,6-tri-amino-pyrimidine-1,3-diium dinitrate.

The title compound, CHN ·2NO , crystallizes in the monoclinic crystal system, space group 2/. The asymmetric unit, which comprises a diprotonated tri-amino-pyrimidine dication and two nitrate anions, has an almost planar geometry with a dihedral angle of 0.92 (4)° between the mean plane of the cation and that defined by both anions.

Construction of a 3D Metal-Organic Framework and Its Composite for Water Remediation via Selective Adsorption and Photocatalytic Degradation of Hazardous Dye.

In this work, a new bimetallic Na(I)-Zn(II) metal-organic framework (MOF), formulated as [NaZn(btc)(μ-HCOO)(μ-HO)] () (Hbtc = benzene tricarboxylic acid), and its composite (ZnO@) have been successfully synthesized using solvothermal and mechanochemical solid grinding methods. and ZnO@ were characterized by diffraction [single-crystal X-ray diffraction (XRD) and powder XRD], spectroscopic (ultraviolet-visible diffuse reflectance spectroscopy and Fourier transform infrared spectroscopy), microscopic (transmission electron microscopy), and thermal (thermogravimetric analysis) methods. The surface area and porosity of were determined using a Brunauer-Emmett-Teller analyzer.

RAPCHI: Robust authentication protocol for IoMT-based cloud-healthcare infrastructure.

With the fast growth of technologies like cloud computing, big data, the Internet of Things, artificial intelligence, and cyber-physical systems, the demand for data security and privacy in communication networks is growing by the day. Patient and doctor connect securely through the Internet utilizing the Internet of medical devices in cloud-healthcare infrastructure (CHI). In addition, the doctor offers to patients online treatment.

How to identify a smoker: a salient crystallographic approach to detect thiocyanate content.

There is an increasing demand for monitoring environmental pollutants and the control requires new sensing materials with better sensitivity, selectivity and reliability. In this study, a series of Co clusters incorporating various flexible polyhydroxyamine ligands are explored, with the first report of thiocyanate recognition triggered by crystal formation using a Co crystal (1). For this, we have fortunately synthesized three new mixed metal Co clusters with fascinating structural features.

Ligand substituent effect on the cytotoxicity activity of two new copper(ii) complexes bearing 8-hydroxyquinoline derivatives: validated by MTT assay and apoptosis in MCF-7 cancer cell line (human breast cancer).

In this study, we have examined the effect of ligand substituent on the structure-cytotoxicity relationships of the MCF-7 cancer cell line (human breast cancer), by two copper(ii) complexes {[Cu(qmbn)(Hqmba)(q)]·NO·2HO} (1) and {[Cu(Hqmba)(q)]·NO·2HO} (2) (where, qmbn = 2-(quinolin-8-yloxy)(methyl) benzonitrile (L1); Hqmba = 2-((quinolin-8-yloxy)methyl)benzoic acid (L2) and q = quinolin-8-olate). The structural analysis reveals that both the complexes exhibit distorted octahedral (CuNO) configuration which is further corroborated by density functional theory (DFT) calculations. The cytotoxicity impact of ligands (L1 and L2) and complexes (1 and 2) was screened against the MCF-7 cell line (human breast cancer).

Crystal Structure, Topology, DFT and Hirshfeld Surface Analysis of a Novel Charge Transfer Complex (L3) of Anthraquinone and 4-{[(anthracen-9-yl)meth-yl] amino}-benzoic Acid (L2) Exhibiting Photocatalytic Properties: An Experimental and Theoretical Approach.

Here, we report a facile route to the synthesizing of a new donor-acceptor complex, L3, using 4-{[(anthracen-9-yl)meth-yl] amino}-benzoic acid, L2, as donor moiety with anthraquinone as an acceptor moiety. The formation of donor-acceptor complex L3 was facilitated via H-bonding and characterized by single-crystal X-ray diffraction. The X-ray diffraction results confirmed the synthesized donor-acceptor complex L3 crystal belongs to the triclinic system possessing the P-1 space group.

An Integrated Approach for Cancer Survival Prediction Using Data Mining Techniques.

Ovarian cancer is the third most common gynecologic cancers worldwide. Advanced ovarian cancer patients bear a significant mortality rate. Survival estimation is essential for clinicians and patients to understand better and tolerate future outcomes.