Multidrug resistant (MDR) pathogens have become a major global health challenge and have severely threatened the health of society. Current conditions have become worse as a result of the COVID-19 pandemic, and infection rates in the future will rise. It is necessary to design, respond effectively, and take action to address these challenges by investigating new avenues. In this regard, the fabrication of metal NPs utilized by various methods, including green synthesis using mushroom, is highly versatile, cost-effective, eco-compatible, and superior. In contrast, biofabrication of metal NPs can be employed as a powerful weapon against MDR pathogens and have immense biomedical applications. In addition, the advancement in nanotechnology has made possible to modify the nanomaterials and enhance their activities. Metal NPs with biomolecules composite prevent the microbial adhesion and kills the microbial pathogens through biofilm formation. Bacteriocin is an excellent antimicrobial peptide that works well as an augmentation substance to boost the antimicrobial effects. As a result, we concentrate on the creation of new, eco-compatible mycosynthesized metal NPs with bacteriocin nanocomposite via electrostatic, covalent, or non-covalent bindings. The synergistic benefits of metal NPs with bacteriocin to combat MDR pathogens and COVID-19, as well as other biomedical applications, are discussed in this review. Moreover, the importance of the adverse outcome pathway (AOP) in risk analysis of manufactured metal nanocomposite nanomaterial and their future possibilities were also discussed.

Coronavirus causes the majority of common colds and is spread in the same way that all viruses attack the respiratory system. Despite the trials and efforts to produce a suitable vaccine, there are solutions for the quick, effective and efficient use of existing drugs to prevent infections and improve the condition of patients. In this study, we synthesized mSiO NPs doped with Fe(III) (Fe(III)-mSiO) and loaded with Rd, and then the NPs coated with PDA as gatekeeper. The several surface methods successfully approved fabrication of the nanosystem. Finally, the application of nanosystem as theranostic system was studied. The DLS measurements showed the average sizes of 115 ± 2 and 124 ± 3.6 nm for Fe-SiO and Fe-SiO@PDA NPs, respectively, suitable for theranostic intentions. The drug release experiments, the in-vitro MRI measurements and MTT test were accomplished, respectively, to show applicability of the nanosystem as a biodegradable Rd delivery system, MRI contrast agent, and the biocompatibility nanocarrier. The results achieved through in-vitro tests exhibited that the Fe-SiO system has potential application as a contrast agent in MRI with relaxivity (r) of 14 ± 1 mM s. The Rd drug was released from the Fe-SiO(Rd)@PDA system more efficient and faster than SiO(Rd)@PDA at 7.4, supporting the doping of Fe in SiO induces a biodegradability feature in that. The in-vitro biocompatibility studies showed that the Fe-SiO NPs (without drug) is not toxic.

Research has shown that chloroquine (CQ) can effectively help control COVID-19 infection. BN nanocage is a drug delivery system. Thus, through density functional theory, the present study analyzed pristine nanocage-CQ interaction and CQ interaction with Si- and Al -doped nanocage. The findings revealed that nanocage doping, particularly with Si and Al, yields more satisfactory drug delivery for CQ due to their greater electronic and energetic characteristics with CQ.

A new rhodamine 6G derivative has been synthesized by condensation of rhodamine hydrazide and 6-hydroxymethyl-pyridine using microwave-assisted reaction. Naked-eye colorimetric and photo physical studies show the synthesized compound is selectively sensing Cu in CHCN/HO (9:1, v/v) solution. Upon coordination with Cu ion, the spirolactam of is opened, which results in a formation of highly fluorescent complex and change in color of the solution. The Job's plot indicates 1:2 binding stoichiometry between Cu ion and Limit of detection for Cu was determined to be 1.23 μM. The sensor was successfully applied to fluorescent imaging of Cu ion in living cells.

In recent decades, the use of engineered nanoparticles has been increasing in various sectors, including biomedicine, diagnosis, water treatment, and environmental remediation leading to significant public concerns. Among these nanoparticles, magnetic nanoparticles (MNPs) have gained many attentions in medicine, pharmacology, drug delivery system, molecular imaging, and bio-sensing due to their various properties. In addition, various studies have reviewed MNPs main applications in the biomedical engineering area with intense progress and recent achievements. Nanoparticles, especially the magnetic nanoparticles, have recently been confirmed with excellent antiviral activity against different viruses, including SARS-CoV-2(Covid-19) and their recent development against Covid-19 also has also been discussed. This review aims to highlight the recent development of the magnetic nanoparticles and their biomedical applications such as diagnosis of diseases, molecular imaging, hyperthermia, bio-sensing, gene therapy, drug delivery and the diagnosis of Covid-19.

A water-soluble binuclear organometallic Ru--cymene complex [Ru(η--cymene)(η-L)] () was prepared from ()-2-((1H-indol-3-yl)methylene)--phenylhydrazine-1-carbothioamide (HL) and [RuCl(cymene)] in methanol at room temperature under inert atmosphere. The structure of binuclear complex was analyzed by UV-Visible, FT-IR, NMR and mass spectroscopic methods. The solid-state structure of the complex was ascertained by single crystal X-ray diffraction technique. The complex exhibited -octahedral (piano-stool) geometry around Ru(II) ion. The cytotoxic property of the ligand and complex along with cisplatin was investigated against A549-lung, MCF-7-breast, HeLa-cervical, HepG-2-liver, T24-urinary bladder and EA.hy926-endothelial cancer cells, and Vero-kidney epithelial normal cells. The complex exhibited superior activity than cisplatin against A549, HeLa and T24 cancer cells with the IC values of 7.70, 11.2, and 5.05 µM, respectively. The complexes were cytotoxic specifically to the cancer cells. Molecular docking studies showed good binding potential of the ligand and complex with the spike protein and main protease of SARS-CoV-2, indicating the promising role of these compounds as antiviral compounds.

The salt of Aurintricarboxylic acid (ATA) was utilized in this study to synthesize new alkaline earth metal ion complexes. The analytical results proposed the isolation of mononuclear (Sr&Ba) and binuclear complexes (Mg&Ca). These complexes were analyzed by available analytical and spectral techniques. The tetrahedral geometry was suggested for all complexes (SP) through bidentate binding mode of ligand with each central atom. UV-Vis spectra reveal the influence of L → M charge transfer and the estimated optical band gap mostly appeared close to that for known semiconductors. XRD, SEM and TEM studies were executed for new complexes and reflects the nano-crystallinity and homogeneous morphology. The structural forms of ATA and its complexes were optimized by DFT/B3LYP under 6-31G and LANL2DZ basis sets. The output files (log, chk &fchk) were visualized on program screen and according to numbering scheme, many physical features were obtained. It is worthy to note that, a virtual simulation for the inhibition affinity towards COVID-19 proteins as proactive study before the actual application, was done for ATA and its complexes. This was done in addition to drugs currently applied in curing (Hydroxychloroquine & Lopinavir), for comparison and recommendation. Drug-likeness parameters were obtained to evaluate the optimal pharmacokinetics to ensure efficacy. Furthermore, simulated inhibition for COVID-19 cell-growth, was conducted by MOE-docking module. The negative allosteric binding mode represents good inhibitory behavior of ATA, Ba(II)-ATA complex and Lopinavir only. All interaction outcomes of Hydroxychloroquine drug reflect unsuitability of this drug in treating COVID-19. On the other hand, there is optimism for ATA and Lopinvir behaviors in controlling COVID-19 proliferation.

A novel sensor (RD) bearing rhodamine B and 4-tert-Butyl phenol unit have been designed and synthesized using microwave irradiation. The sensor allows selective detection of Cu by forming absorptive complex and trigger the formation of highly colored ring-open spirolactam. The recognition ability of the sensor was investigated by absorbance, Job's plot, infrared (IR) and time dependent-density functional theory (TD-DFT) calculations.

In this work, an environmentally friendly microwave method was employed to rapidly synthesize a single-walled carbon nanotube-Ru nanoparticle (SWCNT-Ru) catalyst utilizing ethanol as the reducing agent. In general, the SWCNT-Ru nanoparticle catalyst facilitated the degradation of Congo red dye solutions, of both low and high concentrations, within eight minutes at room temperature, and possessed great recoverability and reusability properties. High-resolution transmission electron microscopy (HR-TEM) analysis of the SWCNT-Ru nanoparticle catalyst, which was synthesized with 0.05 wt. % RuCl in ethanol, revealed highly dispersed Ru nanoparticles of the averaged size of 2.0 nm ± 0.5 nm onto the single-walled carbon nanotube bundles. Raman spectroscopy analysis indicated that there was no alteration to the nanotube structural framework upon the formation of the Ru nanoparticles. UV-Visible spectroscopy analysis indicated that the electronic properties of both smaller and larger diameters of SWCNTs were altered upon the coordination of the Ru nanoparticles. In addition, studies showed that when using ethanol as a reducing agent, concentrations of the RuCl salt must remain below 0.10 wt. % to facilitate the production of Ru nanoparticles with efficient catalytic properties.

Two thiophene-based monocyclic receptors and have been studied for phosphate binding in solutions (DO and DMSO- ) by H NMR and P NMR titrations, and in the solid state by single crystal X-ray analysis. Results from H NMR titrations suggest that the ligands bind phosphate anions in a 1:2 binding mode in DMSO- , with the binding constants of 5.25 and 4.20 (in log ), respectively. The binding of phosphate to and was further supported by P NMR in DO at pH = 5.2. The crystal structure of the phosphate complex of reveals unambiguous proof for the formation of a ditopic complex multiple hydrogen bonds from NH···O and CH···O interactions.

A novel complex, [Cu(acetylethTSC)Cl]Cl•0.25CHOH (where acetylethTSC = ()--ethyl-2-[1-(thiazol-2-yl)ethylidene]hydrazinecarbothioamide), was shown to have anti-proliferative activity against various colon and aggressive breast cancer cell lines. studies showed that complex acted as a poison inhibitor of human topoisomerase IIα, which may account for the observed anti-cancer effects.

The first 2-pyridylmethyl pendant armed structurally reinforced cyclam ligand has been synthesized and successfully complexed to Mn, Fe, and Cu cations. X-ray crystal structures were obtained for the diprotonated ligand and its Cu complex demonstrating pentadentate binding of the ligand with configuration of the side-bridged cyclam ring, leaving a potential labile binding site to the pyridine donor for interaction of the complex with oxidants and/or substrates. The electronic properties of these complexes were determined by means of solid state magnetic moment, with a low value of μ = 3.10 μ for the Fe complex suggesting it has a trigonal bipyramidal coordination geometry, matching the crystal structure of the Cu complex, while the μ = 5.52 μ value for the Mn complex suggests it is high spin octahedral. Cyclic voltammetry in acetonitrile revealed reversible redox processes in all three complexes, suggesting catalytic reactivity involving electron transfer processes are possible for these complexes. Screening for oxidation catalysis using hydrogen peroxide as the terminal oxidant identified the Fe complex as the oxidation catalysts most worthy of continued development.

For the first time oxidative quenching of OsPN chromophores by reactive Pt or Pd sites containing , , -1,2,3,4-tetrakis(diphenylphosphino)cyclobutane (dppcb) is directly observed despite the presence of a saturated cyclobutane backbone "bridge". This dramatic effect is measured as a sudden temperature-dependent onset of a reduction in phosphorescence lifetime in [Os(bpy)(dppcb)MCl](SbF) (M = Pt, ; Pd, ). The appearance of this additional energy release is not detectable in [Os(bpy)(dppcbO)](PF) (), where dppcbO is , , -1,2-bis(diphenylphosphinoyl)-3,4-bis(diphenylphosphino)cyclobutane. Obviously, the square-planar metal centers in and are responsible for this effect. In line with these observations, the emission quantum yields at room temperature for and are drastically reduced compared with . Since this luminescence quenching implies strong intramolecular interaction between the Os excited states and the acceptor sites and depends on the metal⋯metal distances, also the single crystal X-ray structures of - are given.

Synthesis and characterization of a novel type of ambident bridging ligands joining together the functional prerequisites for visible-light absorption, photoinduced electron transfer and catalytic proton reduction is presented. This class of compounds consists of a chromophoric 1,2-diimine-based π-acceptor site and a rigid polyaromatic dithiolate chelator. Due to the presence of a common conjugated linker moiety with an intrinsic two-electron redox reactivity and a suitable orbital coupling of the subunits, a favourable situation for vectorial multielectron transfer from attached electron donors to a catalytic acceptor site is provided. As an example for the application of this kind of bifunctional ligand systems, a [FeFe]-hydrogenase enzyme model compound is prepared and structurally characterized. Electrocatalytic hydrogen formation with this complex is demonstrated.

Structural characterization of the phosphate complex with a thiophene-based macrocycle suggests that two dihydrogen phosphates in a dimeric form are encapsulated in the cavity via several hydrogen bonds from NH···O and CH···O interactions. In the lattice framework, the two dimers are linearly hydrogen-bonded to form a tetramer. H NMR titrations suggest that the host forms a 1:1 complex with phosphate, showing an association constant of 120 M in DO at pH = 5.5. The host guest complexation was further confirmed by ESI-MS in a gas phase.

An improved synthesis of a 3,4 hydroxypyridinone (HOPO) functionalized mesoporous silica is described. Higher 3,4-HOPO monolayer ligand loadings have been achieved, resulting in better performance. Performance improvements were demonstrated with the capture of U(VI) from human blood, plasma and filtered river water.

In this paper we report the enzymatic properties of Ti-doped CeO(2) nanoparticles. The superoxide dismutase activity of Ti-doped nanoparticles is reduced in comparison to undoped nanoceria. In contrast, the oxidase activity of these nanoparticles was unchanged. The change in enzymatic activity was accompanied by a dramatic change in shape to a spherical nanostructure. In addition to reporting a new type of enzymatically-active nanoparticle, Ti-doped cerium oxide nanoparticles are well suited for biological applications.

A series of copper complexes were synthesized from benzo[d][1,3]dioxole-5-carbaldehyde (piperonal) thio-semicarbazones (RHpTSC where R=H, CH3, C2H5 or C6H5 (Ph)). The complexes show interesting variations in geometry depending on the thiosemicarbazone; a dinuclear complex [Cu(HpTSC)Cl]2, a mononuclear complex [Cu(RHpTSC)2Cl2] (R=CH3 or C2H5) and another mononuclear complex [Cu(PhHpTSC)(PhpTSC)Cl] was generated. The complexes bind in a moderately strong fashion to DNA with binding constants on the order of 10(4)M(‒1). They are also strong binders of human serum albumin with binding constants near 10(4) M(‒1). The complexes show good in vitro cytotoxic profiles against two human colon cancer cell lines (HCT-116 and HT29) and two human breast cancer cell lines (MCF-7 and MDA-MB-231) with IC50 values in the low millimolar concentration range.

Disproportionation of oxoiron(IV) porphyrin (Compound II) to oxoiron(IV) porphyrin radical cation (Compound I) was studied in three P450 model systems with different electronic structures. Direct conversion of Compound II to Compound I has been observed for 5,10,15,20-tetrakis(2,6-dichlorophenyl)porphyrin (TDCPP) in acid-catalyzed reactions in a mixed solvent of acetonitrile and water (1:1, v/v) containing excess m-CPBA oxidant, with a second-order rate constant of (1.3 ± 0.2) × 10(2) M(-1) s(-1). The acid-catalyzed disproportionation heavily depends on the electron demand of the substituted aryl groups on the porphyrin macrocycle. The disproportionation equilibrium constants show drastic change for the three porphyrin systems.

Manganese(II) chloride reacts with trimethylsilyl triflate (TMS(OTf) where OTf = (-)OSO(2)CF(3)) in a 1:1 mixture of acetonitrile and tetrahydrofuran, and after recrystallization affords the linear coordination polymer [Mn(II)(CH(3)CN)(2)(OTf)(2)](n). Each distorted octahedral manganese(II) center in the polymeric chain has trans-acetonitriles and the remaining equatorial coordination positions are occupied by the bridging triflate anions. Dissolving [Mn(II)(CH(3)CN)(2)(OTf)(2)](n) in equal volumes of acetonitrile and pyridine followed by recrystallization with diethyl ether yields trans-[Mn(II)(C(5)H(5)N)(4)(OTf)(2)]. The distorted octahedral geometry of the manganese center features monodentate trans-triflate anions and four equatorial pyridines. Exposure of either [Mn(II)(CH(3)CN)(2)(OTf)(2)](n) or [Mn(II)(C(5)H(5)N)(4)(OTf)(2)] to water readily gives [Mn(II)(H(2)O)(6)](OTf)(2). XRD reveals hydrogen-bonding interactions between the [Mn(II)(H(2)O)(6)](2+) cation and the triflate anion. All three of these species are easily crystallized and provide convenient sources of manganese(II) for further synthetic elaboration.

An expanded azamacrocycle L, containing four secondary and two tertiary amines was synthesized, and its binding ability towards chloride, bromide, iodide, sulfate, nitrate and perchlorate were determined by (1)H NMR titrations in D(2)O at pH 1.7. The results suggest that the ligand is capable of forming a complex with each of the anions examined, showing the selectivity for sulfate in water. X-ray diffraction analysis of the perchlorate complex of L suggests that the ligand is tetraprotonated and is involved in interacting anions from both sides forming a ditopic complex with strong NH···O bonds. In the packing diagram, the macrocycles and external perchlorates are alternatively linked though hydrogen bonding to form a 1D chain.