Search results for "complexes"

showing 10 items of 875 documents

Zn(II)-alloferon complexes - Similar sequence, different coordination modes, no antibacterial activity.

2020

Often, in the search for a highly defined scientific phenomenon, a different one becomes apparent. This was also the case of this work, in the scope of which we planned to search for metal-enhanced, novel antibacterial/ antifungal compounds. Instead, we denied the existence of such and revealed the details of the bioinorganic chemistry of Zn(II)-alloferon complexes. Zinc(II) complexes of alloferon 1 and 2, ligands with a sequential difference of one amino acid only, show a substantially different coordination pattern at physiological pH. In the case of Zn(II)-alloferon 1 species, a histamine-like binding mode is observed (N-terminal amine and imidazole of His-1) and the coordination sphere …

Coordination sphereAlloferon; Metal-antimicrobial peptide complex; Metal-peptide thermodynamics; Zinc(II)StereochemistryProton Magnetic Resonance Spectroscopychemistry.chemical_elementZincMicrobial Sensitivity Tests010402 general chemistryLigands01 natural sciencesBiochemistryMass SpectrometryInorganic ChemistryAlloferonchemistry.chemical_compoundStructure-Activity RelationshipCoordination ComplexesImidazoleMetal-antimicrobial peptide complexHistidineAmino Acid Sequencechemistry.chemical_classificationMetal-peptide thermodynamics010405 organic chemistryBioinorganic chemistryZinc(II)0104 chemical sciencesAmino acidAnti-Bacterial AgentsZincchemistryThermodynamicsChemical stabilityAmine gas treatingAntibacterial activityPeptidesJournal of inorganic biochemistry
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C−C Cross-Couplings from a Cyclometalated Au(III) C∧ N Complex: Mechanistic Insights and Synthetic Developments

2021

Abstract In recent years, the reactivity of gold complexes was shown to extend well beyond π‐activation and to hold promises to achieve selective cross‐couplings in several C−C and C−E (E=heteroatom) bond forming reactions. Here, with the aim of exploiting new organometallic species for cross‐coupling reactions, we report on the Au(III)‐mediated C(sp2)−C(sp) occurring upon reaction of the cyclometalated complex [Au(CCH2N)Cl2] (1, CCH2N=2‐benzylpyridine) with AgPhCC. The reaction progress has been monitored by NMR spectroscopy, demonstrating the involvement of a number of key intermediates, whose structures have been unambiguously ascertained through 1D and 2D NMR analyses (1H, 13C, 1H‐1H CO…

Coordination sphereHeteroatom010402 general chemistry01 natural sciencesCatalysisReductive eliminationNMR spectroscopyNucleophilecross-couplingReactivity (chemistry)Full Paper010405 organic chemistryChemistry[CHIM.ORGA]Chemical Sciences/Organic chemistryOrganic Chemistryreductive eliminationGeneral ChemistryNuclear magnetic resonance spectroscopy[CHIM.CATA]Chemical Sciences/CatalysisFull PapersTransition state0104 chemical sciencesgold cyclometalated complexesCrystallographyZincSettore CHIM/03 - Chimica Generale E InorganicaGoldTwo-dimensional nuclear magnetic resonance spectroscopyorganometallics
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Organoplatinum(II) Complexes Self-Assemble and Recognize AT-Rich Duplex DNA Sequences

2021

The specific recognition of AT-rich DNA sequences opens up the door to promising diagnostic and/or therapeutic strategies against gene-related diseases. Here, we demonstrate that amphiphilic PtII complexes of the type [Pt(dmba)(N∧N)]NO3 (dmba = N,N-dimethylbenzylamine-κN, κC; N∧N = dpq (3), dppz (4), and dppn (5)) recognize AT-rich oligonucleotides over other types of DNA, RNA, and model proteins. The crystal structure of 4 shows the presence of significant π-stacking interactions and a distorted coordination sphere of the d8 PtII atom. Complex 5, containing the largest π-conjugated ligand, forms supramolecular assemblies at high concentrations under aqueous environment. However, its aggreg…

Coordination sphereOrganoplatinum CompoundsStereochemistrySupramolecular chemistryDMBAElectrophoretic Mobility Shift Assay010402 general chemistryCrystallography X-RayLigands01 natural sciencesArticleInorganic Chemistrychemistry.chemical_compoundCoordination ComplexesHumansPhysical and Theoretical ChemistryDNA • light-switch • platinum • pseudo-tetrahedral • antitumor agent • DFTOrganoplatinumGel electrophoresisMolecular Structure010405 organic chemistryChemistryOligonucleotideLigandSpectrum AnalysisStereoisomerismDNAIntercalating Agents0104 chemical sciencesA549 CellsSettore CHIM/03 - Chimica Generale E InorganicaDNA
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Photomagnetic properties of an Iron(II) low-spin complex with an unusually long-lived metastable LIESST state

2007

A comprehensive study of the photomagnetic behavior of the [Fe(L222N5)(CN)2].H2O complex has been carried out. This complex is characterized by a low-spin (LS) iron(II)-metal center up to 400 K and exhibits at 10 K the well-known Light-Induced Excited Spin State Trapping (LIESST) effect. The critical LIESST temperature (T(LIESST)) has been measured to be 105 K. The kinetics of the transition from the metastable high-spin (HS) state to the low-spin state have been determined and used for reproducing the experimental T(LIESST) curve. This study represents a second example of a fully low-spin iron(II)-metal complex up to 400 K, which can be photoexcited at low temperature with an atypical long…

Coordination sphereSpin states010405 organic chemistryChemistryKineticsCyanideTrappingMacrocyclic Schiff-base ligand[CHIM.MATE]Chemical Sciences/Material chemistryIron complexes010402 general chemistry01 natural sciencesLIESST0104 chemical sciencesInorganic ChemistryCrystallographyComputational chemistryExcited stateMetastabilityLIESSTPhysical and Theoretical ChemistrySpin (physics)
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Bridging vs. chelating coordination modes of vinylsilanes in CuI π-Complexes: Structure and stability

2014

Two new copper(I) olefin complexes, [Cu6Cl6(MTrVS)2] (1) and [Cu2Cl2(DMVSP)2] (2), of tridentate bridging methyltrivinylsilane (MTrVS) and bidentate chelating 2-[dimethyl(vinyl)silyl]pyridine (DMVSP) have been synthesized and characterized by single-crystal X-ray structure analysis, IR and 1H NMR spectroscopy. It has been shown that using the alkenylsilanes with required electronic properties, molecular symmetry and conformational flexibility, it is possible to control the formation of optimal copper(I) halide oligomers. The obtained results, together with relevant literature data, also illustrate how the coordination mode of vinylsilanes is related to Cu–(C=C) bond strengthening and, conse…

Copper(I) vinylsilane π;complexes;Crystal structure;Thermal stability and kinetic labilityZeitschrift für Anorganische und Allgemeine Chemie (ZAAC)
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Improving diagnostic accuracy of MDCT coronary angiography in patients with mild heart rhythm irregularities using ECG editing

2006

OBJECTIVE. The objective of our study was to compare diagnostic accuracy of MDCT coronary angiography in a population of patients with mild heart rhythm irregularities before and after editing the ECG. SUBJECTS AND METHODS. Thirty-eight patients who underwent MDCT coronary angiography and conventional coronary angiography were enrolled in the study. The inclusion criterion was the presence of mild heart rhythm irregularities (i.e., premature beats; atrial fibrillation; mistriggering; or low heart rate, defined as 40 beats per minute or less) during the scan. All patients underwent MDCT with the following parameters: 16 detectors; collimation, 0.75 mm; gantry rotation time, 375 msec; 120 kV;…

Coronary angiographyMalemedicine.medical_specialtyCardiac Complexes PrematurePopulationContrast MediaDiagnostic accuracyCoronary AngiographySensitivity and SpecificityElectrocardiographyPredictive Value of TestsInternal medicineHeart rateAtrial FibrillationmedicineBradycardiaHumansRadiology Nuclear Medicine and imagingcardiovascular diseasesProspective Studieseducationeducation.field_of_studymedicine.diagnostic_testCardiac cyclebusiness.industryAtrial fibrillationGeneral Medicinearteriography coronary angiography ECG editing heart rhythm MDCT angiographyMiddle Agedmedicine.diseaseIopamidolHeart Rhythmcardiovascular systemCardiologyFemaleRadiologybusinessTomography X-Ray ComputedElectrocardiography
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Complexation behaviour of hexadentate ligands possessing N2O4and N2O2S2cores: differential reactivity towards Co(ii), Ni(ii) and Zn(ii) salts and str…

2004

Reactions of divalent metal salts of Co, Ni and Zn with 1,2-di(salicylaldimino-o-phenylthio) ethane (H2L1) and 1,2-di(naphthaldimino-o-phenylthio) ethane (H2L2), having N2O2S2 cores, and 1,2-di(O-salicylaldimino-o-hydroxyphenyl) ethane (H2L3), having a N2O4 core, have been explored. Out of the three ligands and the nine products obtained from the corresponding reactions, two ligands and seven products were crystallographically characterized. However, all the ligands and the products were characterized by analytical and spectral methods. Reaction of H2L1 and H2L2 with Co(II) salts results in oxidative cleavage of the C-S bond to produce a Co(III) product bound to two dissimilar tridentate li…

Crystal-StructureC-SChemistryInorganic chemistrySize-Specific TransformationsNso-Donor LigandsNickel(Ii) ComplexesCobaltGeneral ChemistryCrystal structureBaseS Bond-CleavageThioethersChemical reactionCatalysisBond lengthCrystallographyOctahedronChemical bondMaterials ChemistryChelationReactivity (chemistry)Metal-ComplexesBond cleavageNew J. Chem.
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Structure of mammalian plasma fetuin-B and its mechanism of selective metallopeptidase inhibition

2018

The co-crystal structure of the metallopeptidase astacin with its specific protein inhibitor fetuin-B reveals a novel mechanism of inhibition.

Crystallographymammalian fertilizationmetallopeptidaseResearch Papersstructure determination570 Life sciencesenzyme mechanismsprotein inhibitorQD901-999multi-protein complexessperm–egg fusionpolyspermyprotein structureX-ray crystallography570 Biowissenschaften
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Synthesis, crystal structure and magnetic properties of a new cyanide-bridged mixed-valence copper(I)/copper(II) clathrate

2013

A unique cyanide-bridge mixed-valence CuI/CuII clathrate of formula [CuI2(CN)3][{CuII(tren)}2(μ-CN)](CF3SO3)2 [tren = tris(2-aminoethyl)amine] containing cyanide-bridged [{CuII(tren)}2(μ-CN)]3 + binuclear cations stacked between anionic honeycomb layered copper(I) cyanide networks, was synthesized and structurally characterized by single crystal X-ray diffraction. Variable-temperature magnetic susceptibility studies showed that the cyanide bridge mediates a strong antiferromagnetic interaction between the copper(II) centers (J = − 160 cm− 1, the spin Hamiltonian being defined as H = − JSA⋅SB).

Cyanide bridgeMixed-valence copper(III) complexesValence (chemistry)Binuclear complexCyanideInorganic chemistrychemistry.chemical_elementCrystal structureMagnetic susceptibilityCopperInorganic Chemistrychemistry.chemical_compoundCrystallographychemistryCrystal structuresMagnetic propertiesMaterials ChemistryAntiferromagnetismAmine gas treatingPhysical and Theoretical ChemistrySingle crystalInorganic Chemistry Communications
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Specific recognition of fluoride anion using a metallamacrocycle incorporating a uranyl-salen unit

2008

The design and synthesis of a novel fluoride receptor that uses a salen-complexed Lewis acidic uranyl center as the sole binding site is reported here. This receptor binds fluoride anions in DMSO with a high affinity constant (K > 106 M-1) and exhibits a negligible affinity (K < 10 M-1) towards otherwise effective competitors, such as acetate, phosphate and cyanide anions.

CyanideInorganic chemistryAffinity constantGeneral ChemistryPhosphateUranylMedicinal chemistrysupramolecular chemistryCatalysisIonfluoride recognitionchemistry.chemical_compoundchemistryMaterials Chemistrysalen-complexesBinding siteReceptorFluoride
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