Keywords: MOFs; metalorganic frameworks; PL; photoluminescence; PCPs; porous coordination polymers; LMCT; ligand-to-metal charge transfer; MLCT; metal-to-ligand charge transfer; LUMO; lowest unoccupied molecular orbital; CB; conduction band; SBUs; secondary buildin
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Keywords: AC; alternating current or asymptotically correct; ADF; Amsterdam density functional; AM1; Austin model 1 semi-empirical method; au; atomic units; BBO; β-barium borate; CC; coupled-cluster; CHF; coupled Hartree-Fock; CI; configuration interaction; CNDO
Keywords: AB; ammonia borane; abz; 4-aminobenzoate; AC; acetylacetone; BDA; benzene-1,4-dialdehyde; BET; Brunauer-Emmett-Teller; BMA; benzyl methacrylate; BPDA; 4,4â²-biphenyldicarboxaldehyde; cat; catecholate; cdc; trans-1,4-cyclo-hexanedicarboxylate; COFs; c
Keywords: LE; low-energy; 3CC; triplet cluster-centered; XMCT; halide-to-metal charge transfer; XLCT; halogen-to-ligand charge transfer; MLCT; metal-to-ligand charge transfer; HE; high-energy; DFT; density functional theory; SCO; spin crossover; bib; 1,4-bis(1-imid
Keywords: Arg-Gly-Asp; Arginylglycylaspartic acid; FDA; Food and Drug Administration; DNA; Deoxyribonucleic acid; NCI; National Cancer Institute; SCLC; Small cell lung cancers; NSCLC; Non-small cell lung cancers; 5-FU; 5-Fluorouracil; OTCs; Organic cationic transpo
Keywords: 1,4-biyb; 1,4-bis(imidazol-1-ylmethyl)benzene; 2,6-ndc; 2,6-naphthalenedicarboxylate; 2-cmsnH2; 2-carboxymethylsulfanyl nicotinic acid; 3-dpye; N,Nâ²-bis(3-pyridinecarboxamide)-1,2-ethane; 4,4â²-bpy; 4,4â²-bipyridine; 4,4â²-obb; 4,4â²-oxybis(benzoate
Keywords: ICT; intramolecular charge transfer; MLCT; metal-to-ligand charge transfer; LMCT; ligand-to-metal charge transfer; BODIPY; 4,4-difluoro-4-bora-3a,4a-diaza-s-indacene; ATP; adenosine tri phosphate; SEM; scanning electron microscopy; DPA; di-(2-picolylamine
Keywords: Aβ; amyloid-β peptide; AD; Alzheimer's disease; ASBA; 2-amino-5-sulfobenzoic acid; BDC; 1-4-benzendicarboxylate; BHC; mellitic acid; BIMB; 1,4-bis(1H-imidazol-1-yl)butane; 2,2Ë-Bipy; 2,2â²-Bipyridine; 4,4Ë-Bipy; 4,4â²-Bipyridine; BPTC; 3,3â²,5,
Keywords: MOF; metal-organic framework; UiO; University of Oslo; MIL; Materials of Institut Lavoisier; ZIF; zeolitic imidazolate framework; VB; valence band; CB; conduction band; HOMO; highest occupied molecular orbital; LUMO; lowest unoccupied molecular orbital; U
Keywords: Cobalt ion; Colorimetric chemosensor; LMCT; Solid sensor;
Keywords: Hydrogen peroxide activation; Metal complexes; Photosensitizers; Semiconductors; Redox reactions; Photocatalysis; ROS; reactive oxygen species; SOD; superoxide dismutase; Por; porphyrin; TAML; tetraamido macrocyclic ligand; DFT; density functional theory;
Keywords: AOP; advanced oxidation process; ATP; adenosine triphosphate; CAT; catalase; CDOM; chromoforic dissolved organic matter; CPC; compound parabolic collector; CPD; cyclobutane pyrimidine dimers; DHAD; dihydroxyacid dehydratase; DNA; deoxyribonucleic acid; ES
Keywords: X-ray crystallography; Structural biology; Copper; Enzyme; CuNIR; copper nitrite reductase; T1Cu; type 1 copper; T2Cu; type 2 copper; GtNIR; Geobacillus thermodenitrificans copper nitrite reductase; NeNIR; Nitrosomonas europaea copper nitrite reductase; A
Keywords: Blue Copper Proteins; Azurin; Rusticyanin; Rack/entatic; Cancer therapy; AADH; amine dehydrogenase; Am; amicyanin; Az; azurin; BCPs; Blue Copper Proteins; CPP; cell penetrating peptides; CSP; chemical shift perturbation; EPR; electronic paramagnetic reson
Keywords: AA; ascorbic acid; BSE; Bovine spongiform encephalopathies; B3LYP; Becke 3 parameter Lee Yang Parr; BP86; Becke Perdew86; CD; Circular dichroism; CJD; Creutzfeldt-Jakob disease; CPMD; Car-Parrinello molecular dynamics; DFT; Density functional theory;
The N-terminal domains of Bacillus subtilis CopA do not form a stable complex in the absence of their inter-domain linker
Keywords: CD; Circular dichroism; DTNB; 5,5â²-dithiobis-(2-nitrobenzoic acid); DTT; dithiothreitol; ESI-MS; electrospray ionization mass spectrometry; Hepes; 4-(2-hydroxyethyl)-1-piperazineethanesulfonic acid; HSQC; heteronuclear single quantum correlation; ICP-AE
A new route to constructing rhenium(I)-based 8-hydroxyquinolate complexes: Synthesis, structures and luminescent properties
Keywords: MOMs; metal-organic materials; PXRD; powder X-ray diffraction; LMCT; ligand-to-metal charge transfer; Hydrothermal synthesis; Organometallic complexes; Photoluminescence; Rhenium complexes; Sensors;
Exploring titanium(IV) chemical proximity to iron(III) to elucidate a function for Ti(IV) in the human body
Keywords: ADP; adenosine diphosphate; ATP; adenosine triphosphate; ATCUN; amino terminus copper and nickel; CDCA1; cadmium-containing carbonic anhydrases; EELS; electron energy loss spectroscopy; EPR; electron paramagnetic resonance; ESI; electron spectroscopic ima
Photoluminescence of europium and terbium trifluoroacetylacetonates. Participation of LMCT state in processes of the energy transfer to Eu3+ ion
Keywords: Eu3+; Tb3+; β-diketonate; Trifluoroacetylacetonate; Acetylacetonate; Luminescence; Excitation energy transfer; LMCT;
Binding mode dependent signaling for the detection of Cu2Â +: An experimental and theoretical approach with practical applications
Keywords: Colorimetric sensing; Fluorescence enhancement; Ion detection; Schiff base; LMCT; Test kit;
Sustainable metal complexes for organic light-emitting diodes (OLEDs)
Keywords: 3MLCT; triplet metal-ligand charge transfer; 4MTPD; N,Nâ²-diphenyl-N,Nâ²-(3-methyl)-1,1â²-biphenyl-4,4â²-diamine; acac; acetylacetonate; AIEE; aggregation induced enhanced emission; An; (ortho)-anisyl; BAlq; bis(2-methyl-8-quninolinato)-4-phenylphen
Structured near-infrared Magnetic Circular Dichroism spectra of the Mn4CaO5 cluster of PSII in T. vulcanus are dominated by Mn(IV) d-d 'spin-flip' transitions
Keywords: PSII; Photosystem II; near-IR; near infrared; UV/Vis; ultra violet/visible; CD; circular dichroism; MCD; Magnetic Circular Dichroism; VTVH; variable temperature variable field; EPR; electron paramagnetic resonance; OEC; oxygen evolving complex; LMCT; Liga
Electrochemical reduction of Ttz copper(II) complexes in the presence and absence of protons: Processes relevant to enzymatic nitrite reduction (TtzR,Râ²Â = tris(3-R, 5-Râ²-1, 2, 4-triazolyl)borate)
Keywords: CuNiR; copper nitrite reductase; CV; cyclic voltammetry; FA; formic acid; LMCT; ligand to metal charge transfer; TFA; trifluoroacetic acid; Ttz; tris(triazolyl)borate; Tp; tris(pyrazolyl)borate; Tris(triazolyl)borate ligands; Proton responsive ligands; Ni
Visible light selective photocatalytic conversion of glucose by TiO2
Keywords: Titanium oxide; Photocatalytic oxidation; Glucose oxidation; Biomass; LMCT;
Photoredox reactions of binuclear iron(II) and (III) disulfide complexes. Disulfide as CT acceptor and donor
Keywords: Iron complexes; Disulfide complexes; Photoredox reactions; MLCT; LMCT;
High-nuclearity silver(I) chalcogenide clusters: A novel class of supramolecular assembly
Keywords: nBu; tBu, n-Butyl, tert-Butyl; CV; cyclic voltammetry; DMF; dimethylformamide; dppb; bis(diphenylphosphano)butane; dppe; bis(diphenylphosphano)ethane; dppm; bis(diphenylphosphano)methane; dppp; 1,3-bis(diphenylphosphano)propane; Et; ethyl; Fc; ferrocenyl;
Molecular catalysis of the electrochemical and photochemical reduction of CO2 with Fe and Co metal based complexes. Recent advances
Keywords: TON; turnover number; TOF; turnover frequency; CS; catalytic selectivity; CV; cyclic voltammetry; SHE; standard hydrogen electrode; FE; faradaic efficiency; PS; photosensitizer; SD; sacrificial electron donor; âPS; photosensitizer excited state; PSâ;
Recent developments on optical and electrochemical sensing of copper(II) ion based on transition metal complexes
Keywords: AAS; atomic absorption spectroscopy; AIPE; aggregation-induced phosphorescent emission; bpy; 2,2â²-bipyridine; CT; charge transfer; DFT; density functional theory; DPA; dipicolylamine; EDTA; ethylenediaminetetraacetic acid; EPA; U.S. Environmental Protec
51V NMR, 17O NMR, and UV–Vis computational studies of new VBPO functional models: Bromide oxidation reaction
Keywords: VBPO; 51V NMR; 17O-NMR; LMCT; Tripodal amine ligand
Axially-modified paddlewheel diruthenium(II,III)-ibuprofenato metallodrugs and the influence of the structural modification on U87MG and A172 human glioma cell proliferation, apoptosis, mitosis and migration
Keywords: AAS; Atomic Absorption Spectroscopy; ACN; acetonitrile; ATR; Attenuated Total Reflectance; CNS; Central Nervous System; COX; cyclooxygenase; DCM; dichloromethane; DMEM; Dulbecco's Modified Eagle's Medium; DFT; Density Functional Theory; dmso; dimethylsulf
Castles fall from inside: Evidence for dominant internal photo-catalytic mechanisms during treatment of Saccharomyces cerevisiae by photo-Fenton at near-neutral pH
Keywords: AOPs; advanced oxidation processes; CAT; catalase; CFDA5; carboxyfluorescein diacetate; CPDs; cyclobutane pyrimidine dimers; DNA; deoxyribonucleic acid; Fe/S; iron-sulfur; hv; light; LMCT; ligand-to-metal charge transfer; PI; propidium iodide; ROS; reac
The versatile ruthenium(II/III) tetraazamacrocycle complexes and their nitrosyl derivatives
Keywords: acn; acetonitrile; 4-acpy; pyridine-4-acetyl; acv; (acyclovir), 2-amino-1,9-dihydro-9-[(2-hydroxyethoxy)methyl]-6H-purin-6-one); am(m)ine; ammine, amine, and/or tetraazamacrocycle; ampy; 2-aminomethylpyridine; [15]aneN4; 1,4,8,12-tetraazacyclopentadecane;
Peculiar photoinduced properties of water-soluble, early lanthanide(III) porphyrins
Keywords: Out-of-plane metalloporphyrins; Early lanthanide(III) ions; Tail-to-tail oligomerization; LMCT; Charge separation; Water cleavage
Investigating the influence of histidine residues on the metal ion binding ability of the wheat metallothionein γ-Ec-1 domain
Keywords: 2-PDS; 2,2â²-dithiodipyridine; Cys; cysteine; Ec; early cysteine-labeled; F-AAS; flame atomic absorption spectroscopy; GST; glutathione S-transferase; His; histidine; HSQC; heteronuclear single quantum correlation; LMCT; ligand-to-metal charge transfer;
Optical identification of the long-wavelength (700-1700Â nm) electronic excitations of the native reaction centre, Mn4CaO5 cluster and cytochromes of photosystem II in plants and cyanobacteria
Keywords: PSII; photosystem II; OEC; oxygen evolving centre; Near-IR; near infrared; CD; circular dichroism; MCD; magnetic circular dichroism; EPR; electron paramagnetic resonance; UV/Vis; ultra violet/visible; LMCT; ligand to metal charge transfer; DRS; deep red s
A novel selective colorimetric chemosensor for Cu2Â + in aqueous solution
Keywords: Cu2Â +; Colorimetric sensing; Chemosensor; LMCT; Naked eye; FRIZAWCUWGFLHC-UHFFFAOYSA-M;
Recent advances in phenoxyl radical complexes of salen-type ligands as mixed-valent galactose oxidase models
Keywords: GO; galactose oxidase; GOox; oxidized galactose oxidase; IVCT; intervalence charge transfer; NIR; near-infrared; Th+; thianthrenyl radical; XAS; X-ray absorption spectroscopy; SUMO; singly unoccupied molecular orbital; DFT; density functional theory; EPR;
X-ray absorption near-edge spectroscopy in bioinorganic chemistry: Application to M-O2 systems
Keywords: XAS; X-ray absorption spectroscopy; EXAFS; extended X-ray absorption fine structure; DFT; density functional theory; NMR; nuclear magnetic resonance; XANES; X-ray absorption near-edge spectroscopy; Zeff; effective nuclear charge; LMCT; ligand to metal cha
Kinetics of iron release from transferrin bound to the transferrin receptor at endosomal pH
Keywords: hTF; human serum transferrin; TFR; transferrin receptor; Fe2hTF; diferric hTF; FeNhTF; hTF with iron bound only in the N-lobe; FeChTF; hTF with iron bound only in the C-lobe; LockNhTF; Fe2hTF that cannot release iron from the N-lobe; LockChTF; Fe2hTF that
Spectroscopic and photochemical properties of water-soluble metalloporphyrins of distorted structure
Keywords: Photochemistry; Porphyrins; Out-of-plane; Silver; Gold; Cadmium; Bismuth; Manganese; LMCT; Photodissociation
A report describing the effect of di-2-pyridyl ligand architecture on the coordination properties with gold(III)
Keywords: DPS; di-2-pyridyl sulfide; DPO; di-2-pyridyl ether; DPK; di-2-pyridyl ketone; LMCT; ligand-to-metal-charge transfer; methylbipy; 4,4â²-dimethyl bipyridine; pyz-CH2-pyr; (pyrazolylmethyl)pyridine; Gold(III); Anticancer; Metallotherapy; DNA binding; Di-2-p
Synthesis, characterization and third-order nonlinear optical studies of copper complexes containing 1,10-phenanthroline-5,6-dione and triphenylphosphine ligands
Keywords: Copper complexes; 1,10-Phenanthroline-5,6-dione; LMCT; Two-photon absorption; Z-scan; Degenerate four wave mixing
Hexamethylenetetramine: An old new building block for design of coordination polymers
Keywords: 1D; one-dimensional; 2D; two-dimensional; 3D; three-dimensional; ac; acetate; adca; adamantane-1-carboxylate; alhmt; N-allyl-hexamethylenetetramine(1+); bpbpd; 1,1â²-biphenyl-4,4â²-diylbis(4,4-dimethylpentane-1,3-dione); ctc; cis,cis-1,3,5-cyclohexanetr
Theoretical study on photophysical properties of angular-shaped mercury(II) bis(acetylide) complexes as light-emitting materials
Keywords: Mercury-containing arylacetylenes; TD-DFT; LMCT; Optoelectronic properties;
Size tunable synthesis of silver nanoparticles in water–ethylene glycol mixtures
Keywords: Ag nano-clusters; Polarity; Viscosity; CTTS; LMCT
Thermodynamic and spectroscopic study of the interaction of Cu(II), Ni(II), Zn(II) and Ca(II) ions with 2-amino-N-(2-oxo-2-(2-(pyridin-2-yl)ethyl amino)ethyl)acetamide, a pseudo-mimic of human serum albumin
Keywords: RA; rheumatoid arthritis; HSA; Human serum albumin; ([H2(556)-N]); 2-amino-N-(2-oxo-2-(2-(pyridin-2-yl)ethyl amino)ethyl)acetamide; [H(555)-N]; N-(2-(2-aminoethylamino)ethyl)picolinamide; βpqr; overall formation constant; ESTA; equilibrium simulation
Photophysics and photochemistry of kinetically labile, water-soluble porphyrin complexes
Keywords: Photochemistry; Porphyrins; Sitting-atop; Iron; Mercury; Thallium; LMCT; Photodissociation
Ground vs. excited state interaction in ruthenium-thienyl dyads: implications for through bond interactions in multicomponent systems
Keywords: Ruthenium; Charge transfer states; LMCT; Thienyl; Raman;