We designed a minimalistic zinc(II)-binding peptide featuring the Cys2His2 zinc-finger motif. To this aim, several tens of thousands of (His/Cys)-Xn-(His/Cys) protein fragments (n=2-20) were first extracted from the 3D protein structures deposited in Protein Data Bank (PDB). Based on geometrical constraints positioning two Cys (C) and two His (H) side chains at the vertices of a tetrahedron, approximately 22 000 sequences of the (H/C)-Xi-(H/C)-Xj-(H/C)-Xk-(H/C) type, satisfying Nmetal-binding H=Nmetal-binding C=2, were processed. Several other criteria, such as the secondary structure content and predicted fold stability, were then used to select the best candidates. To prove the viability of the computational design experimentally, three peptides were synthesized and subjected to isothermal calorimetry (ITC) measurements to determine the binding constants with Zn2+, including the entropy and enthalpy terms. For the strongest Zn2+ ions binding peptide, P1, the dissociation constant was shown to be in the nanomolar range (KD=~220 nM; corresponding to ΔGbind=-9.1 kcal mol-1). In addition, ITC showed that the [P1 : Zn2+] complex forms in 1 : 1 stoichiometry and two protons are released upon binding, which suggests that the zinc coordination involves both cysteines. NMR experiments also indicated that the structure of the [P1 : Zn2+] complex might be quite similar to the computationally predicted one. In summary, our proof-of-principle study highlights the usefulness of our computational protocol for designing novel metal-binding peptides.
- Klíčová slova
- Computer design, Isothermal calorimetry, Metal-binding peptide, NMR, QM modeling, Zinc(II),
- MeSH
- molekulární modely MeSH
- peptidy * chemie metabolismus chemická syntéza MeSH
- sekvence aminokyselin MeSH
- termodynamika MeSH
- vazba proteinů MeSH
- zinek * chemie metabolismus MeSH
- zinkové prsty MeSH
- Publikační typ
- časopisecké články MeSH
- Názvy látek
- peptidy * MeSH
- zinek * MeSH
The copper(II), cobalt(II), and zinc(II) complexes with 2-(1H-benzimidazol-2-ylmethylsulfanylmethyl)-1H-benzimidazole (tbb) and 2-[2-[2-(1H-benzimidazol-2-yl)ethylsulfanyl]ethyl]-1H-benzimidazole (tebb), [Cu(tbb)Cl2] (1), [Co(tbb)Cl2] (2), [Zn(tbb)Cl2] (3), [Cu(tebb)Cl(H2O)]Cl (4), [Co(tebb)Cl2]n·nCH3OH (5) and [Zn(tebb)Cl(H2O)]Cl (6), have been prepared and evaluated for antiproliferative activity. The structure of (4) was proved by X-ray diffraction crystallography. The coordination compounds were tested for their cytotoxic activities in cancer cell lines in vitro. The lower IC50 values were obtained for Co(II), Cu(II), and Zn(II) complexes with tebb in comparison with tbb complexes. Complex 2 showed strong antiproliferative selectivity for leukemia CEM cells and nontoxicity towards other tested cell lines and normal human cells (BJ and RPE-1). Proapoptotic activity of 2 and 5 were weaker than positive control cisplatin, but the big advantage of these complexes was their zero-cytotoxicity for normal healthy cells in contrast to the high cytotoxicity of cisplatin. The activation of apoptotic initiation phase was detected in neuroblastoma cancer cell line SH-SY5Y where 5 was cytotoxic without fragmentation of cells. Interestingly, complexes 5, 6, and tebb, together with cisplatin, dramatically impaired the mitochondrial membrane potential of SH-SY5Y after 72 h. Taken together, we demonstrated that our compounds trigger apoptosis via the mitochondrial pathway.
- Klíčová slova
- Antiproliferative activity, Apoptosis, Benzimidazole, Biocompatibility, Coordination compound, Mitochondria,
- MeSH
- apoptóza * účinky léků MeSH
- benzimidazoly * chemie farmakologie MeSH
- kobalt chemie farmakologie MeSH
- komplexní sloučeniny * farmakologie chemie chemická syntéza MeSH
- krystalografie rentgenová MeSH
- lidé MeSH
- měď chemie farmakologie MeSH
- mitochondrie * metabolismus účinky léků MeSH
- nádorové buněčné linie MeSH
- protinádorové látky * farmakologie chemie chemická syntéza MeSH
- zinek chemie farmakologie MeSH
- Check Tag
- lidé MeSH
- Publikační typ
- časopisecké články MeSH
- Názvy látek
- benzimidazoly * MeSH
- kobalt MeSH
- komplexní sloučeniny * MeSH
- měď MeSH
- protinádorové látky * MeSH
- zinek MeSH
Bacterial biofilms are complex multicellular communities that adhere firmly to solid surfaces. They are widely recognized as major threats to human health, contributing to issues such as persistent infections on medical implants and severe contamination in drinking water systems. As a potential treatment for biofilms, this work proposes two strategies: (i) light-driven ZnFe2O4 (ZFO)/Pt microrobots for photodegradation of biofilms and (ii) magnetically driven ZFO microrobots for mechanical removal of biofilms from surfaces. Magnetically driven ZFO microrobots were realized by synthesizing ZFO microspheres through a low-cost and large-scale hydrothermal synthesis, followed by a calcination process. Then, a Pt layer was deposited on the surface of the ZFO microspheres to break their symmetry, resulting in self-propelled light-driven Janus ZFO/Pt microrobots. Light-driven ZFO/Pt microrobots exhibited active locomotion under UV light irradiation and controllable motion in terms of "stop and go" features. Magnetically driven ZFO microrobots were capable of maneuvering precisely when subjected to an external rotating magnetic field. These microrobots could eliminate Gram-negative Escherichia coli (E. coli) biofilms through photogenerated reactive oxygen species (ROS)-related antibacterial properties in combination with their light-powered active locomotion, accelerating the mass transfer to remove biofilms more effectively in water. Moreover, the actuation of magnetically driven ZFO microrobots allowed for the physical disruption of biofilms, which represents a reliable alternative to photocatalysis for the removal of strongly anchored biofilms in confined spaces. With their versatile characteristics, the envisioned microrobots highlight a significant potential for biofilm removal with high efficacy in both open and confined spaces, such as the pipelines of industrial plants.
- Klíčová slova
- biofilm, collective motion, magnetically driven, micromotors, microrobots, photocatalysis,
- MeSH
- antibakteriální látky * chemie farmakologie MeSH
- biofilmy * účinky záření MeSH
- Escherichia coli * fyziologie MeSH
- fotolýza účinky záření MeSH
- mikrosféry MeSH
- platina chemie MeSH
- reaktivní formy kyslíku metabolismus MeSH
- robotika přístrojové vybavení MeSH
- ultrafialové záření MeSH
- železité sloučeniny chemie MeSH
- zinek chemie MeSH
- Publikační typ
- časopisecké články MeSH
- Názvy látek
- antibakteriální látky * MeSH
- platina MeSH
- reaktivní formy kyslíku MeSH
- železité sloučeniny MeSH
- zinek MeSH
Nanostructured materials have been suggested to be used as a source of dietary zinc for livestock animals. In this study, we assessed the cytotoxicity of newly synthesized nanostructured zinc carbonate hydroxide (ZnCH) Zn5(CO3)(OH)6microflakes. Cytotoxicity of the microflakes was assessed against murine L929 cell line and rat mature erythrocytes. Viability, motility, cell death pathways, implication of Ca2+, reactive oxygen species and reactive nitrogen species (RNS) signaling, caspases, and alterations of cell membranes following exposure of L929 cells to the microflakes were assessed. To assess hemocompatibility of the Zn-containing microflakes, osmotic fragility and hemolysis assays were performed, as well as multiple eryptosis parameters were evaluated. Our findings indicate a dose-response cytotoxicity of ZnCH microflakes against L929 cells with no toxicity observed for low concentrations (10 mg l-1and below). At high concentrations (25 mg l-1and above), ZnCH microflakes promoted nitrosyl stress, Ca2+- and caspase-dependent apoptosis, and altered lipid order of cell membranes in a dose-dependent manner, evidenced by up to 7-fold elevation of RNS-dependent fluorescence, 2.9-fold enhancement of Fura 2-dependent fluorescence, over 20-fold elevation of caspases-dependent fluorescence (caspase-3, caspase-8, and caspase-9), and up to 4.4-fold increase in the ratiometric index of the NR12S probe. Surprisingly, toxicity to enucleated mature erythrocytes was found to be lower compared to L929 cells. ZnCH microflakes induced eryptosis associated with oxidative stress, nitrosyl stress, Ca2+signaling and recruitment of caspases at 25-50-100 mg l-1. Eryptosis assays were found to be more sensitive than evaluation of hemolysis. Zn5(CO3)(OH)6microflakes show no cytotoxicity at low concentrations indicating their potential as a source of zinc for livestock animals.
- Klíčová slova
- cytotoxicity, eryptosis, erythrocytes, reactive oxygen species, regulated cell death,
- MeSH
- apoptóza účinky léků MeSH
- buněčné linie MeSH
- eryptóza účinky léků MeSH
- erytrocyty * účinky léků MeSH
- hemolýza účinky léků MeSH
- hydroxidy chemie toxicita MeSH
- kaspasy metabolismus MeSH
- krysa rodu Rattus MeSH
- myši MeSH
- nanostruktury * toxicita chemie MeSH
- reaktivní formy dusíku metabolismus MeSH
- reaktivní formy kyslíku metabolismus MeSH
- sloučeniny zinku toxicita chemie MeSH
- uhličitany chemie MeSH
- viabilita buněk účinky léků MeSH
- zinek chemie toxicita MeSH
- zvířata MeSH
- Check Tag
- krysa rodu Rattus MeSH
- myši MeSH
- zvířata MeSH
- Publikační typ
- časopisecké články MeSH
- Názvy látek
- hydroxidy MeSH
- kaspasy MeSH
- reaktivní formy dusíku MeSH
- reaktivní formy kyslíku MeSH
- sloučeniny zinku MeSH
- uhličitany MeSH
- zinek MeSH
Three novel complexes of deprotonated diflunisal (dif) with neocuproine (neo) were synthesized and characterized via elemental, spectral (UV-vis, FTIR, fluorescence, and mass spectrometry), and single-crystal X-ray diffraction analyses. Although the compounds shared a similar composition of [MCl(dif)(neo)], where M represents Zn(II) (1), Co(II) (2) and Cu(II) (3), only 1 and 2 were isostructural, while 3 differed in both the molecular and supramolecular structures. In all three complex molecules, the central atom is coordinated by two nitrogen atoms of neo in a bidentate chelate mode, and one chlorido ligand and dif is bonded in either a monodentate mode via one oxygen atom of the carboxylate in 1 and 2 or in a bidentate chelate mode via both carboxylate oxygen atoms in 3. All three compounds demonstrated remarkable antiproliferative activity against human prostate (PC-3), colon (HCT116) and breast (MDA-MB-468) cancer cell lines with IC50 values in the nanomolar range, with the lowest values observed in the case of PC-3 and MDA-MB-468 with 2 (20.0 nM) and 3 (31.1 nM), respectively. Moreover, complex 2, as the most active, was further investigated for its potential to induce perturbations in the cell cycle of PC-3 cells. The results indicated an induction of caspase-independent apoptosis. The interaction of the complexes with genomic DNA isolated from the respective cancer cell lines was evaluated for the intercalative mode, with binding strength correlated with the antiproliferative activity against PC-3 and MDA-MB-468 cancer cell lines.
- MeSH
- apoptóza účinky léků MeSH
- fenantroliny chemie farmakologie MeSH
- kobalt * chemie farmakologie MeSH
- komplexní sloučeniny * farmakologie chemie chemická syntéza MeSH
- lidé MeSH
- měď * chemie farmakologie MeSH
- molekulární modely MeSH
- nádorové buněčné linie MeSH
- proliferace buněk * účinky léků MeSH
- protinádorové látky * farmakologie chemie chemická syntéza MeSH
- screeningové testy protinádorových léčiv MeSH
- zinek * chemie farmakologie MeSH
- Check Tag
- lidé MeSH
- Publikační typ
- časopisecké články MeSH
- práce podpořená grantem MeSH
- Názvy látek
- fenantroliny MeSH
- kobalt * MeSH
- komplexní sloučeniny * MeSH
- měď * MeSH
- neocuproine MeSH Prohlížeč
- protinádorové látky * MeSH
- zinek * MeSH
Cd toxicity emerges as a major environmental concern with detrimental impacts on global agricultural systems and food safety. Therefore, there is an urgent need to cope with the high concentration of Cd in the soil and crops. This study elucidates the potential of iron (FeBC) and zinc doped biochar (ZnBC) on the growth and yield of chickpea (Cicer arietinum L.) in Cd-contaminated soil. The parallels of biochemical attributes and Cd absorption of Cicer arietinum L. were investigated after a 120-day pot trial under 1% (w/w) biochar doses and two Cd concentrations (25 and 50 mg kg-1). The results demonstrated that FeBC was more effective in promoting plant growth by reducing Cd mobility in soil than ZnBC and normal biochar (NBC). Additionally, the application of FeBC resulted in significant improvement in photosynthesis rate (53.98%), transpiration rate (91.53%), stomatal conductance (197%), and sub-stomatal conductance (213.33%) compared to other applied treatments. Cd uptake in roots, shoots, and grains was reduced by 44.19%, 56.89%, and 88.25% respectively with the application of FeBC. Notably, the highest decrease in Cd bioaccumulation factor (99.72% and 99.65%) and Cd translocation factor (99.89% and 99.85%) were recorded under FeBC application in 25 and 50 mg kg-1 Cd-contaminated soils, respectively. The improved plant growth and reduced Cd buildup with FeBC under Cd stress suggest that FeBC is a promising strategy to remediate Cd-contaminated soil and simultaneously promote sustainable production of legume crops in Cd-contaminated soils.
- Klíčová slova
- Adsorption, Bioremediation, Cadmium, Iron and zinc doped biochar, Risk assessment,
- MeSH
- Cicer * účinky léků růst a vývoj MeSH
- dřevěné a živočišné uhlí * chemie MeSH
- fotosyntéza účinky léků MeSH
- kadmium * toxicita MeSH
- kořeny rostlin metabolismus MeSH
- látky znečišťující půdu * toxicita MeSH
- půda * chemie MeSH
- regenerace a remediace životního prostředí metody MeSH
- železo * chemie MeSH
- zinek * toxicita chemie MeSH
- Publikační typ
- časopisecké články MeSH
- Názvy látek
- biochar MeSH Prohlížeč
- dřevěné a živočišné uhlí * MeSH
- kadmium * MeSH
- látky znečišťující půdu * MeSH
- půda * MeSH
- železo * MeSH
- zinek * MeSH
Addressing the increasing demand for green additives in drilling fluids is essential for the sustainable development of the oil and gas industry. Fluid loss into porous and permeable formations during drilling presents significant challenges. This study introduced an innovative, environmentally sustainable drilling fluid known as nano-biodegradable drilling fluid (NBDF). The NBDF formulation incorporates greenly synthesized zinc nanorods (ZNRs) and gundelia seed shell powder, with ZNRs derived from Cydonia oblonga plant extracts using an eco-friendly method. The research developed multiple drilling fluid variants for experimentation: a reference drilling fluid (BM); biodegradable drilling fluid (BDF) with particle sizes of 75, 150, 300, and 600 µm at concentrations ranging from 0.5 to 1 wt% (GSMs); a drilling nanofluid (DNF) with ZNRs at a 0.1 wt% concentration (ZNR); and NBDF combining both nano and gundelia waste (GS-ZNR). Experimental tests were conducted under various temperature and pressure conditions, including low temperature and low pressure (LTLP) and high temperature and high pressure (HTHP). Rheological and filtration measurements were performed to assess the impact of the nano-biodegradable additives on flow behavior and fluid loss. Results indicated that incorporating 1 wt% of gundelia seed shell powder with a particle size of 75 µm led to a 19.61% reduction in fluid loss compared to BM at 75 °C and 200 psi. The performance of the same GSM improved by 31% under identical conditions when 1 wt% of zinc ZNRs was added. Notably, the GS-ZNR formulation demonstrated the most effective performance in reducing fluid loss into the formation, decreasing mud cake thickness, and enhancing the flow behavior of the non-Newtonian reference drilling fluid. This study highlights the relevance of particle size in the effectiveness of biodegradable additives and underscores the potential of NBDF to address environmental concerns in the oil and gas drilling industry.
- Klíčová slova
- Biodegradable, Drilling fluid, Fluid loss, Nanorods, Rheology, Sustainability,
- MeSH
- nanotrubičky * chemie MeSH
- semena rostlinná * chemie MeSH
- technologie zelené chemie MeSH
- zinek * chemie MeSH
- Publikační typ
- časopisecké články MeSH
- Názvy látek
- zinek * MeSH
Structurally diverse zinc(II) complexes with tripodal tetradentate phenolic-amines of variable substituents in the phenol and amine moieties were synthesized and thoroughly characterized. The two dinuclear [Zn2(L1)2](ClO4)2·MeOH (1), [Zn2(L2)2](ClO4)2 (2), and four mononuclear [Zn(L3)(H2O)]·MeOH (3), [Zn(L4)] (4), [Zn(L5)] (5) and [Zn(L6)] (6) complexes revealed distorted octahedral, trigonal-bipyramidal or tetrahedral geometries. The free HL1 and H2L3-6 ligands, and complexes 1-6 were evaluated for in vitro cytotoxicity against human cancer cell lines (A2780, A2780R, PC-3 and 22Rv1) and normal healthy MRC-5 cells. Overall results revealed high-to-moderate cytotoxicity (with the best IC50 values for complex 6 ranging from 2.4 to 4.5 μM), which is however, significantly higher than that of the reference drug cisplatin. The moderately active complexes 1-4 showed considerable selectivity on A2780 cells (IC50 ≈ 16.3-19.5 μM) over MRC-5 ones (with IC50 >50 μM for 1, 2 and 4, and with IC50 >25 μM for 3). The complexes 1, 2, and 6 and the ligand H2L6 were chosen for subsequent deeper biological evaluations. Their time-resolved cellular uptake and other cellular effects in A2780 cells were studied, such as cell cycle profile, intracellular ROS production, induction of apoptosis and activation of caspases 3/7. Complexes 1 and 2 caused significant G0/G1 cell cycle arrest in A2780 cells and antioxidant effects at normal conditions. They showed only limited effects on cellular processes connected with cytotoxicity, i.e. induction of apoptosis, depletion of mitochondrial membrane potential, and autophagy. These findings can be at least partly attributed to the low ability of the complexes to enter the A2780 cells and the depression of metabolic activity of the target cancer cells.
- MeSH
- aminy * chemie farmakologie MeSH
- apoptóza * účinky léků MeSH
- fenoly chemie farmakologie chemická syntéza MeSH
- komplexní sloučeniny * farmakologie chemie chemická syntéza MeSH
- lidé MeSH
- membránový potenciál mitochondrií účinky léků MeSH
- molekulární struktura MeSH
- nádorové buněčné linie MeSH
- proliferace buněk * účinky léků MeSH
- protinádorové látky * farmakologie chemie chemická syntéza MeSH
- reaktivní formy kyslíku metabolismus MeSH
- screeningové testy protinádorových léčiv MeSH
- vztahy mezi strukturou a aktivitou MeSH
- zinek * chemie farmakologie MeSH
- Check Tag
- lidé MeSH
- Publikační typ
- časopisecké články MeSH
- práce podpořená grantem MeSH
- Názvy látek
- aminy * MeSH
- fenoly MeSH
- komplexní sloučeniny * MeSH
- protinádorové látky * MeSH
- reaktivní formy kyslíku MeSH
- zinek * MeSH
While zinc protects plants from copper in hydroponics, its behavior in soil remains unclear. We investigated the potential of zinc sulfate to protect ryegrass from copper toxicity in contaminated soil. Twelve soil treatments combined varying levels of copper oxide (CuO) and zinc sulfate (ZnSO4). Increasing CuO significantly stunted ryegrass, but adding ZnSO4 mitigated the effects at each CuO level. ZnSO4 had no effect in unpolluted conditions. These results, supported by the Terrestrial Biotic Ligand Model, indicate that zinc competes with copper for binding sites, reducing copper uptake by ryegrass and mitigating its toxicity. Application of zinc sulfate to copper-contaminated soils appears promising for ryegrass growth, although field studies are critical to confirm real-world efficacy.
- Klíčová slova
- Alleviating affect, Antagonism, Lolium perenne, Protective effect,
- MeSH
- jílek * MeSH
- látky znečišťující půdu * analýza MeSH
- měď analýza MeSH
- půda MeSH
- síran zinečnatý metabolismus MeSH
- zinek chemie MeSH
- znečištění životního prostředí MeSH
- Publikační typ
- časopisecké články MeSH
- Názvy látek
- látky znečišťující půdu * MeSH
- měď MeSH
- půda MeSH
- síran zinečnatý MeSH
- zinek MeSH
An important deliberation of this current work is the impending applications of bivalent transition metals doped with nano ferrites and to study their emerging properties of magnetically active ferrites, which constitute oxides of iron (different conformers most demanding γ-Fe2O3) and transition metal complexes of bivalent metal oxides like cobalt (Co(II)) and magnesium (Mg(II)). Fe3+ ions occupy tetrahedral sites; the rest of Fe3+ and the Co2+ ions occupy octahedral sites. For the synthesis, a self-propagating method of combustion at lower temperature was used. Zinc and cobalt nano ferrites are synthesized from the chemical coprecipitation method of 20 to 90 nm in average size, characterized thoroughly employing FTIR and PXRD and surface morphology studied using SEM. These results explain the existence of ferrite nanoparticles in cubic spinel. Magnetically active metal oxide nanoparticles are now commonly employed in main studies of sensing, absorption, and other properties. All studies showed the interesting results.
- Klíčová slova
- Adsorption studies, Chemical vapor sensor, Coprecipitation, Nano ferrites, Transition-metal, Water analysis,
- MeSH
- adsorpce MeSH
- ionty MeSH
- kobalt * chemie MeSH
- kovové nanočástice * chemie MeSH
- zinek chemie MeSH
- Publikační typ
- časopisecké články MeSH
- Názvy látek
- cobalt ferrite MeSH Prohlížeč
- ferrite MeSH Prohlížeč
- ionty MeSH
- kobalt * MeSH
- zinek MeSH
