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Article ; Online: Bis(2-phenylpyridinato,-C 2′ ,N)[4,4′-bis(4-Fluorophenyl)-6,6′-dimethyl-2,2′-bipyridine] Iridium(III) Hexafluorophosphate

Dimitrios Glykos / John C. Plakatouras / Gerasimos Malandrinos

Molbank, Vol 2023, Iss M1610, p M

2023 Volume 1610

Abstract: A new bis cyclometallated Ir(III) phosphor, [Ir(ppy) 2 L]PF 6 (ppy = 2-phenylpyridine, L = 4,4′-bis(4-fluorophenyl)-6,6′-dimethyl-2,2′-bipyridine was prepared and structurally characterized in the solid state (X-ray diffraction) and solution (1 and 2D ... ...

Abstract	A new bis cyclometallated Ir(III) phosphor, [Ir(ppy) 2 L]PF 6 (ppy = 2-phenylpyridine, L = 4,4′-bis(4-fluorophenyl)-6,6′-dimethyl-2,2′-bipyridine was prepared and structurally characterized in the solid state (X-ray diffraction) and solution (1 and 2D NMR spectroscopy). The compound exhibited yellow photoluminescence (λ em = 562 nm). The quantum yield Φ was solvent-dependent (5% in acetonitrile and 19% in dichloromethane solutions, respectively).
Keywords	heteroleptic iridium(III) complex ; photoluminescence ; cyclometallated ; diimine ligands ; X-ray diffraction ; Inorganic chemistry ; QD146-197
Language	English
Publishing date	2023-03-01T00:00:00Z
Publisher	MDPI AG
Document type	Article ; Online
Database	BASE - Bielefeld Academic Search Engine (life sciences selection)

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Article ; Online: Solution-State Studies, X-ray Structure Determination and Luminescence Properties of an Ag(I) Heteroleptic Complex Containing 2,9-Bis(styryl)-1,10-phenanthroline Derivative and Triphenylphosphine

Dimitrios Glykos / John C. Plakatouras / Gerasimos Malandrinos

Inorganics, Vol 11, Iss 12, p

2023 Volume 467

Abstract: A novel heteroleptic Ag(I) compound, formulated as [AgL(PPh 3 )]BF 4 (1) (where L represents 2,9-bis((E)-4-methoxystyryl)-1,10-phenanthroline and PPh 3 stands for triphenylphosphine), was successfully synthesized and thoroughly characterized. The ... ...

Abstract	A novel heteroleptic Ag(I) compound, formulated as [AgL(PPh 3 )]BF 4 (1) (where L represents 2,9-bis((E)-4-methoxystyryl)-1,10-phenanthroline and PPh 3 stands for triphenylphosphine), was successfully synthesized and thoroughly characterized. The compound’s stability in solution was confirmed through 1D and 2D nuclear magnetic resonance (NMR). The photo-irradiation of the complex in a CDCl 3 solution, utilizing a common portable UV lamp emitting at λ = 365 nm, led to the partial transformation of the E,E-geometric isomer to E,Z, ultimately yielding a 1:1.4 molar ratio of isomers. Its molecular structure was determined via X-ray crystallography, while molecular packing was assessed using Hirshfeld calculations. The most notable interactions (51%) within the cationic inner sphere involved H···H bonds. The photophysical characteristics of the complex and L were evaluated both in the solid state and in solution (dichloromethane). Compound 1 is a weak emitter, with photoluminescence quantum yields of 8.6% and 4.3% in solution and the solid state, respectively.
Keywords	Ag(I) coordination complex ; X-ray ; Hirshfeld analysis ; photoluminescence ; NMR studies ; photo-isomerization ; Inorganic chemistry ; QD146-197
Subject code	540
Language	English
Publishing date	2023-12-01T00:00:00Z
Publisher	MDPI AG
Document type	Article ; Online
Database	BASE - Bielefeld Academic Search Engine (life sciences selection)

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Article ; Online: [6-(Thiophen-2-yl)-2,2′-bipyridine]bis(triphenylphosphine) Copper(I) Tetrafluoroborate

Panagiotis Kouvatsis / Dimitrios Glykos / John C. Plakatouras / Gerasimos Malandrinos

Molbank, Vol 2023, Iss M1605, p M

2023 Volume 1605

Abstract: The novel heteroleptic copper (I) complex [6-(thiophen-2-yl)-2,2′-bipyridine]bis(triphenylphosphine) copper(I) tetrafluoroborate (1), formulated as [CuL(PPh 3 ) 2 ]BF 4 , was synthesized in two steps, utilizing the diimine type ligand L = 6-(thiophen-2- ... ...

Abstract	The novel heteroleptic copper (I) complex [6-(thiophen-2-yl)-2,2′-bipyridine]bis(triphenylphosphine) copper(I) tetrafluoroborate (1), formulated as [CuL(PPh 3 ) 2 ]BF 4 , was synthesized in two steps, utilizing the diimine type ligand L = 6-(thiophen-2-yl)-2,2′-bipyridine and triphenylphosphine (PPh 3 ). The compound was characterized both in the solid state and in solution by employing single crystal X-ray diffraction, IR, UV, and NMR spectroscopies. The complex is an orange emitter that demonstrates a photoluminescence quantum yield of 2.6% in the solid state.
Keywords	heteroleptic copper(I) complexes ; photoluminescence ; diimine ligands ; X-ray diffraction ; Inorganic chemistry ; QD146-197
Language	English
Publishing date	2023-03-01T00:00:00Z
Publisher	MDPI AG
Document type	Article ; Online
Database	BASE - Bielefeld Academic Search Engine (life sciences selection)

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Article ; Online: Coordination properties of Cu(II) ions towards a phosphorylated fragment from the R1 domain of the tau protein and the effect of Ser phosphorylation on Cu(II) binding affinity.

Kyriakou, Dimitra / Bletsa, Eleni / Moussis, Vassilios / Deligiannakis, Yiannis / Malandrinos, Gerasimos

Dalton transactions (Cambridge, England : 2003)

2022

Abstract: Tau hyperphosphorylation plays a key role in Alzheimer's disease, mediating tau protein aggregation and deposition as neurofibrillary tangles in the intracellular space of neurons. The potential implications of Cu(II) ions on the disease have been ... ...

Abstract	Tau hyperphosphorylation plays a key role in Alzheimer's disease, mediating tau protein aggregation and deposition as neurofibrillary tangles in the intracellular space of neurons. The potential implications of Cu(II) ions on the disease have been studied intensively, focusing both on Cu(II)-amyloid and on Cu(II)-tau fragment interactions. Nevertheless, there is still a lack of information concerning the metal binding properties and the affinity of phosphorylated fragments of tau. In this work, the coordination properties of Cu(II) ions toward the peptides Ac-GSTENLKH-NH
Language	English
Publishing date	2022-12-01
Publishing country	England
Document type	Journal Article
ZDB-ID	1472887-4
ISSN	1477-9234 ; 1364-5447 ; 0300-9246 ; 1477-9226
ISSN (online)	1477-9234 ; 1364-5447
ISSN	0300-9246 ; 1477-9226
DOI	10.1039/d2dt02838g
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Article ; Online: DNA strand breakage induced by CuII and NiII, in the presence of peptide models of histone H2B.

Zavitsanos, Kimon / Nunes, Ana Mónica / Malandrinos, Gerasimos / Hadjiliadis, Nick

Journal of inorganic biochemistry

2011 Volume 105, Issue 10, Page(s) 1329–1337

Abstract: In the present study we used the plasmid relaxation assay, a very sensitive method for detection of DNA strand breaks in vitro, in order to evaluate the role of peptide fragments of histone H2B in DNA strand breakage induced by copper and nickel. We have ...

Abstract	In the present study we used the plasmid relaxation assay, a very sensitive method for detection of DNA strand breaks in vitro, in order to evaluate the role of peptide fragments of histone H2B in DNA strand breakage induced by copper and nickel. We have found that in the presence of peptides modeling the histone fold domain (H2B(32-62) and H2B(63-93)) as well as the N-terminal tail (H2B(1-31)) of histone H2B there is an increased DNA damage by Cu(2+)/H(2)O(2) and Ni(2+)/H(2)O(2) reaction mixtures. On the contrary, the C-terminal tail (H2B(94-125)) seems to have a protective role on the attack of ROS species to DNA. We have rendered our findings to the interactions of the peptides with DNA, as well as with the metal.
MeSH term(s)	Copper/chemistry ; Copper/pharmacology ; DNA Damage/drug effects ; Electrophoresis, Agar Gel ; Histones/chemistry ; Hydrogen Peroxide/chemistry ; Hydrogen Peroxide/pharmacology ; Models, Chemical ; Nickel/chemistry ; Nickel/pharmacology ; Peptide Fragments/chemistry
Chemical Substances	Histones ; Peptide Fragments ; Copper (789U1901C5) ; Nickel (7OV03QG267) ; Hydrogen Peroxide (BBX060AN9V)
Language	English
Publishing date	2011-10
Publishing country	United States
Document type	Journal Article ; Research Support, Non-U.S. Gov't
ZDB-ID	162843-4
ISSN	1873-3344 ; 0162-0134
ISSN (online)	1873-3344
ISSN	0162-0134
DOI	10.1016/j.jinorgbio.2011.07.014
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Article ; Online: Copper effective binding with 32-62 and 94-125 peptide fragments of histone H2B.

Zavitsanos, Kimon / Nunes, Ana Mónica / Malandrinos, Gerasimos / Hadjiliadis, Nick

Journal of inorganic biochemistry

2011 Volume 105, Issue 1, Page(s) 102–110

Abstract: In an attempt to investigate the role of histone H2B in Cu(II) induced toxicity and carcinogenesis, we synthesized the terminally blocked peptides H2B(32-62) (SRKESYSVYVYKVLKQVH(48)PDTGISSKAMGIM) and Η2Β(94-125) (IQTAVRLLLPGELAKH(110)AVSEGTKAVTKYTSS), ... ...

Abstract	In an attempt to investigate the role of histone H2B in Cu(II) induced toxicity and carcinogenesis, we synthesized the terminally blocked peptides H2B(32-62) (SRKESYSVYVYKVLKQVH(48)PDTGISSKAMGIM) and Η2Β(94-125) (IQTAVRLLLPGELAKH(110)AVSEGTKAVTKYTSS), mimicking the N-terminal histone-fold domain and C-terminal tail of histone H2B, respectively and studied their interaction with Cu(II) ions by means of potentiometric titrations and spectroscopic techniques (UV-visible, CD and EPR). Both peptides, H2B(32-62) and H2B(94-125), interacted efficiently with Cu(II) ions, forming several species from pH 4 to 11, with His(48) and His(110) serving as anchors for metal binding. In H2B(32-62), the effective Cu(II) binding is emphasized by the formation of a soluble Cu(II)-H2B(32-62) complex, unlike the unbound peptide that precipitated over pH 7.9. At physiological pH, both peptides form tetragonal 3N species with a {N(Im), 2N(-)} coordination mode. At this pH, H2B(32-62) presented the formation of coordination isomers, differentiated by the presence in one of them, of an axial coordination of the carboxylate group of Asp(50). Copper binding with both H2B(32-62) and H2B(94-125) may induce a conformational change in the peptides' original structure. At physiological conditions, this effect may interfere with nucleosome's structure and dynamics, including the ubiquitination of Lys(120) which is linked to gene silencing.
MeSH term(s)	Circular Dichroism ; Copper/chemistry ; Electron Spin Resonance Spectroscopy ; Histones/chemistry ; Models, Molecular ; Peptide Fragments/chemistry ; Potentiometry
Chemical Substances	Histones ; Peptide Fragments ; Copper (789U1901C5)
Language	English
Publishing date	2011-01
Publishing country	United States
Document type	Journal Article ; Research Support, Non-U.S. Gov't
ZDB-ID	162843-4
ISSN	1873-3344 ; 0162-0134
ISSN (online)	1873-3344
ISSN	0162-0134
DOI	10.1016/j.jinorgbio.2010.09.002
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Article ; Online: Coordination of Cu(2+)and Ni(2+) with the histone model peptide of H2B N-terminal tail (1-31 residues): A spectroscopic study.

Nunes, Ana Mónica / Zavitsanos, Kimon / Malandrinos, Gerasimos / Hadjiliadis, Nick

Dalton transactions (Cambridge, England : 2003)

2010 Volume 39, Issue 18, Page(s) 4369–4381

Abstract: The interaction of Cu(2+) and Ni(2+) with the N-terminal tail of histone H2B, the 31 amino acid peptide H2B(1-31) (Ac-PEPAKSAPAPKKG(13)SKKAVTKAQKKD(25)GKKRKR-NH(2)), studied by various spectroscopic techniques (UV/Vis, CD, EPR and NMR) are described. The ...

Abstract	The interaction of Cu(2+) and Ni(2+) with the N-terminal tail of histone H2B, the 31 amino acid peptide H2B(1-31) (Ac-PEPAKSAPAPKKG(13)SKKAVTKAQKKD(25)GKKRKR-NH(2)), studied by various spectroscopic techniques (UV/Vis, CD, EPR and NMR) are described. The results showed the formation of Cu(2+)-H2B(1-31) complexes above pH 7.3 most probably through the beta-carboxylate group of D25. With the increase of the pH, a mixture of 3 N and 4 N species presenting {2N(-), CO, epsilonNH(2)} and {2N(-), OH(2), epsilonNH(2)}{epsilonNH(2)} coordination modes, respectively is formed, while at highly basic solutions the binding of an additional amide donor is suggested. NMR spectroscopy supported by CD spectroscopy indicated that Ni(2+) coordination takes place most likely through Q22-K23-K24-D25 peptide fragment. Direct coordination to Ni(2+), in a {4N(-)} coordination mode, with a severe conformation change in all residues from G13 to G26 was observed. Cu(2+) and Ni(2+) binding to the N-terminal tail of H2B causes a severe conformational change that might interfere with histone post-translational modifications, possibly leading to epigenetic changes.
MeSH term(s)	Amino Acid Sequence ; Binding Sites ; Circular Dichroism ; Copper/chemistry ; Electron Spin Resonance Spectroscopy ; Histones/chemistry ; Hydrogen-Ion Concentration ; Molecular Sequence Data ; Nickel/chemistry ; Nuclear Magnetic Resonance, Biomolecular ; Protein Structure, Tertiary ; Spectrophotometry, Ultraviolet
Chemical Substances	Histones ; Copper (789U1901C5) ; Nickel (7OV03QG267)
Language	English
Publishing date	2010-05-14
Publishing country	England
Document type	Journal Article ; Research Support, Non-U.S. Gov't
ZDB-ID	1472887-4
ISSN	1477-9234 ; 1364-5447 ; 0300-9246 ; 1477-9226
ISSN (online)	1477-9234 ; 1364-5447
ISSN	0300-9246 ; 1477-9226
DOI	10.1039/b927157k
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Article: Thiamine models and perspectives on the mechanism of action of thiamine-dependent enzymes.

Malandrinos, Gerasimos / Louloudi, Maria / Hadjiliadis, Nick

Chemical Society reviews

2006 Volume 35, Issue 8, Page(s) 684–692

Abstract: Thiamine dependent enzymes catalyze ligase and lyase reactions near a carbonyl moiety. Chemical models for these reactions serve as useful tools to substantiate a detailed mechanism of action. This tutorial review covers all such studies performed thus ... ...

Abstract	Thiamine dependent enzymes catalyze ligase and lyase reactions near a carbonyl moiety. Chemical models for these reactions serve as useful tools to substantiate a detailed mechanism of action. This tutorial review covers all such studies performed thus far, emphasizing the role of each part around the active site and the conformation of the cofactor during catalysis.
MeSH term(s)	Binding Sites ; Catalysis ; Coenzymes/chemistry ; Ligases/chemistry ; Lyases/chemistry ; Models, Biological ; Molecular Structure ; Organometallic Compounds/chemistry ; Thiamine Pyrophosphate/analogs & derivatives ; Thiamine Pyrophosphate/chemical synthesis ; Thiamine Pyrophosphate/chemistry
Chemical Substances	Coenzymes ; Organometallic Compounds ; Lyases (EC 4.-) ; Ligases (EC 6.-) ; Thiamine Pyrophosphate (Q57971654Y)
Language	English
Publishing date	2006-08
Publishing country	England
Document type	Journal Article ; Review
ZDB-ID	1472875-8
ISSN	1460-4744 ; 0306-0012
ISSN (online)	1460-4744
ISSN	0306-0012
DOI	10.1039/b514511m
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Article: Thiamine models and perspectives on the mechanism of action of thiamine-dependent enzymes

Malandrinos, Gerasimos / Louloudi, Maria / Hadjiliadis, Nick

Chemical Society reviews. 2006 July 24, v. 35, no. 8

2006

Abstract	Thiamine dependent enzymes catalyze ligase and lyase reactions near a carbonyl moiety. Chemical models for these reactions serve as useful tools to substantiate a detailed mechanism of action. This tutorial review covers all such studies performed thus far, emphasizing the role of each part around the active site and the conformation of the cofactor during catalysis.
Keywords	active sites ; catalytic activity ; ligases ; mechanism of action ; models ; moieties ; thiamin
Language	English
Dates of publication	2006-0724
Size	p. 684-692.
Publishing place	The Royal Society of Chemistry
Document type	Article
ZDB-ID	1472875-8
ISSN	1460-4744 ; 0306-0012
ISSN (online)	1460-4744
ISSN	0306-0012
DOI	10.1039/b514511m
Database	NAL-Catalogue (AGRICOLA)

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Article: Interaction of Lambda- and Delta-[Ru(bpy)2(pbmz)](PF6)2 with the oligonucleotide duplex d(CGCGAATTCGCG)2.

Papakyriakou, Athanasios / Malandrinos, Gerasimos / Garoufis, Achilleas

Journal of inorganic biochemistry

2006 Volume 100, Issue 11, Page(s) 1842–1848

Abstract: The interaction of the enantiomeric complexes Lambda- and Delta-[Ru(bpy)(2)(pbmz)](PF(6))(2) (bpy=2,2'-bipyridine, pbmz=2-(2'-pyridyl)benzimidazole) with the DNA duplex d(CGCGAATTCGCG)(2) was investigated by means of 2D NMR techniques. The synthesis of ... ...

Abstract	The interaction of the enantiomeric complexes Lambda- and Delta-[Ru(bpy)(2)(pbmz)](PF(6))(2) (bpy=2,2'-bipyridine, pbmz=2-(2'-pyridyl)benzimidazole) with the DNA duplex d(CGCGAATTCGCG)(2) was investigated by means of 2D NMR techniques. The synthesis of the enantiomers was based on the optically pure complexes Lambda- and Delta-[Ru(bpy)(2)(py)(2)](2+) and were characterized by CD and NMR spectroscopy. NMR data indicate that both enantiomers bind weakly to the oligonucleotide, approaching from the minor groove at the centre of the helix. The perturbation of the B-DNA conformation is minor with an apparent absence of enantioselectivity. Molecular modelling calculations in conjunction with the NOE data support the suggestion that more than one binding modes are present. The imidazole amine group of the pbmz ligand is probably hydrogen bonded to the DNA phosphodiesteric backbone at the AATT step, and this may provide an explanation for the diminished enantioselectivity observed.
MeSH term(s)	Base Sequence ; Binding Sites ; Circular Dichroism ; DNA/chemistry ; Magnetic Resonance Spectroscopy ; Models, Molecular ; Molecular Structure ; Nucleic Acid Conformation ; Oligonucleotides/chemistry ; Oligonucleotides/genetics ; Ruthenium Compounds/chemistry ; Stereoisomerism
Chemical Substances	Oligonucleotides ; Ruthenium Compounds ; DNA (9007-49-2)
Language	English
Publishing date	2006-11
Publishing country	United States
Document type	Journal Article ; Research Support, Non-U.S. Gov't
ZDB-ID	162843-4
ISSN	1873-3344 ; 0162-0134
ISSN (online)	1873-3344
ISSN	0162-0134
DOI	10.1016/j.jinorgbio.2006.07.008
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