Lili Arabuli
Independent Researcher, Pharmacy, Faculty Member
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This article is an open access article distributed under the terms and conditions of the Creative Commons Attribution (CC BY
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Quaternary arsonium triiodides [(Ph 3 AsCH 2
p-Phenylenebis[diethyl(iso-propyl)arsonium] tetra-N- thiocyanatocobaltate(II) cationic-anionic complex have been synthesized and studied. The X-ray structure of +[(i-Pr) 2(Et) 4As 2(Ph)] +[Co(NCS) 4] 2- have been determined. Crystals... more
p-Phenylenebis[diethyl(iso-propyl)arsonium] tetra-N- thiocyanatocobaltate(II) cationic-anionic complex have been synthesized and studied. The X-ray structure of +[(i-Pr) 2(Et) 4As 2(Ph)] +[Co(NCS) 4] 2- have been determined. Crystals belong to the tetragonal system, space group P-42(1)m) with a = 14.4930(14)Å, b = 14.4930(14)Å, c = 8.7090(19)Å; alfa= 90°, beta= 90°, gamma= 90°. The structures were refined to an R value of 0.063 from 4082 observed reflections. The As atom is coordinated tetrahedraly to the substituents as well as the anion has a tetrahedral configuration. The synthesis and IR spectral characterization of the complex compounds are described.
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DOPA peptidomimetics with stable O–C and N–C covalent bonds between amino acid residues have been prepared by aromatic oxidative functionalization of tyrosine with 2-iodoxybenzoic acid (IBX).
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Research Interests: Chemistry, Russian, Nitrate, Methylene Blue, CHEMICAL SCIENCES, and 3 moreAqueous Solution, Aryl, and Iodide
ABSTRACT
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Potentiometric titrations and (1) H NMR spectroscopic studies of amino acids binding to the [ZnL](2+) -complex where L=cyclen in aqueous solution provide information concerning complexing species identity, their stability, and... more
Potentiometric titrations and (1) H NMR spectroscopic studies of amino acids binding to the [ZnL](2+) -complex where L=cyclen in aqueous solution provide information concerning complexing species identity, their stability, and coordination mode declaration. The amino acids form stable ternary [ZnL(HL(n))](2+) and [ZnL(L(n))](+) complexes. The observations indicate bidentate coordination mode of the deprotonated amino acids, involving both the amine and the carboxylate functions to the [ZnL](2+) complex in pH region of about 7.5-9.5. The determined stability constants indicate that [ZnL](2+) complex is a very efficient receptor for simple amino acids such as glycine and alanine.
Research Interests: Chemistry, Kinetics, Magnetic Resonance Spectroscopy, Medicine, Molecular Recognition, and 13 moreStereochemistry, Zinc, CHEMICAL SCIENCES, Amino Acids, Solutions, Amino Acid Profile, Aqueous Solution, Potentiometric Titration, Hydrogen-Ion Concentration, Protons, Heterocyclic compounds, Titrimetry, and cyclen
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The amyloid cascade is central for the neurodegeneration disease pathology, including Alzheimer’s and Parkinson’s, and remains the focus of much current research. S100A9 protein drives the amyloid-neuroinflammatory cascade in these... more
The amyloid cascade is central for the neurodegeneration disease pathology, including Alzheimer’s and Parkinson’s, and remains the focus of much current research. S100A9 protein drives the amyloid-neuroinflammatory cascade in these diseases. DOPA and cyclen-based compounds were used as amyloid modifiers and inhibitors previously, and DOPA is also used as a precursor of dopamine in Parkinson’s treatment. Here, by using fluorescence titration experiments we showed that five selected ligands: DOPA-D-H-DOPA, DOPA-H-H-DOPA, DOPA-D-H, DOPA-cyclen, and H-E-cyclen, bind to S100A9 with apparent Kd in the sub-micromolar range. Ligand docking and molecular dynamic simulation showed that all compounds bind to S100A9 in more than one binding site and with different ligand mobility and H-bonds involved in each site, which all together is consistent with the apparent binding determined in fluorescence experiments. By using amyloid kinetic analysis, monitored by thioflavin-T fluorescence, and AFM i...
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This article is an open access article distributed under the terms and conditions of the Creative Commons Attribution (CC BY
The new small peptide functionalized cyclen and DOPA derivatives were synthesized: cyclen-HisHis, cyclen-AspHis, cyclen-GluHis, DOPA-HisHis were prepared. The solid-phase synthesis strategy was used for preparation of new compounds.... more
The new small peptide functionalized cyclen and DOPA derivatives were synthesized: cyclen-HisHis, cyclen-AspHis, cyclen-GluHis, DOPA-HisHis were prepared. The solid-phase synthesis strategy was used for preparation of new compounds. Synthesized cyclen-and DOPA-oligopeptide hybrid conjugations were purified by HPLC and analyzed using MALDI-TOF MS spectrometer. The toxic effect was determined against mammalian cells human embryonic kidney cell line HEK293T ATCC®CLR-11268TM for each new compound. The inhibition effect of all tested cyclen– dipeptides on kidney cells was approximately about 30% after 24 hours. The minimal rate of toxicity against human liver cells showed all tested dipeptides with DOPA, their inhibition effect was maximal 10%. The acute inhibition effect of sample DOPA-GluHis-DOPA was 14% imme¬diately after adding. The antioxidant and anticancer activity studies will be next part of the ongoing project.
ChemInform is a weekly Abstracting Service, delivering concise information at a glance that was extracted from about 100 leading journals. To access a ChemInform Abstract of an article which was published elsewhere, please select a “Full... more
ChemInform is a weekly Abstracting Service, delivering concise information at a glance that was extracted from about 100 leading journals. To access a ChemInform Abstract of an article which was published elsewhere, please select a “Full Text” option. The original article is trackable via the “References” option.
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DOPA peptidomimetics with stable O-C and N-C covalent bonds between amino acid residues have been prepared by aromatic oxidative functionalization of tyrosine with 2-iodoxybenzoic acid (IBX). The reaction involves the Michael-like... more
DOPA peptidomimetics with stable O-C and N-C covalent bonds between amino acid residues have been prepared by aromatic oxidative functionalization of tyrosine with 2-iodoxybenzoic acid (IBX). The reaction involves the Michael-like nucleophilic addition of differently oxygen and nitrogen protected amino acids on reactive DOPA quinone intermediate. Similar results were obtained in heterogeneous conditions using supported IBX-amide for more runs. Among the novel derivatives, compounds containing glycine residues showed a more pronounced antioxidant activity in the 2,2-diphenyl picrylhydrazyl (DPPH) radical scavenging cell free assay. Instead, valine derivatives showed the highest biological effect in L5178Y mouse lymphoma cells, by assessing the ability to reduce H2O2 induced DNA breakage in the alkaline comet assay.
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The aromatic synthetic arsenobetaines were prepared and their coordination to the metal ions (Mg and Cu(II)) was studied using IR, MS-EI (ES), UV-vis. and EPR spectroscopic methods. The lower calculated separation value (Δ) between... more
The aromatic synthetic arsenobetaines were prepared and their coordination to the
metal ions (Mg and Cu(II)) was studied using IR, MS-EI (ES), UV-vis. and EPR spectroscopic
methods. The lower calculated separation value (Δ) between asymmetric
and symmetric stretching vibrations of the carboxylate moiety predicted the bidentate
coordination mode of the synthesised coordination compounds. The EPR spectrum
showed square-planar coordination mode of the copper(II) central atom as well. The
DFT method was used for optimisation of crystal structure of the metal(II)-arsenobetaine
complex cations. The testing of antimicrobial and antifungicidal bioactivity
of the novel synthesised compounds will be next task of these studies.
Keywords: arsenobetaine, metal complexation, spectral analysis, optimised structure
metal ions (Mg and Cu(II)) was studied using IR, MS-EI (ES), UV-vis. and EPR spectroscopic
methods. The lower calculated separation value (Δ) between asymmetric
and symmetric stretching vibrations of the carboxylate moiety predicted the bidentate
coordination mode of the synthesised coordination compounds. The EPR spectrum
showed square-planar coordination mode of the copper(II) central atom as well. The
DFT method was used for optimisation of crystal structure of the metal(II)-arsenobetaine
complex cations. The testing of antimicrobial and antifungicidal bioactivity
of the novel synthesised compounds will be next task of these studies.
Keywords: arsenobetaine, metal complexation, spectral analysis, optimised structure
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The infrared spectra, elemental and thermal (TG/DTG and DTA) analyses of novel [Zn(cyclen- 4N1,4,7,10)(HGly-2O,O)](ClO4)2 (1), and [Zn2(cyclen-4N1,4,7,10)2(-S-Ala-2N,O)](ClO4)3·2H2O (2) complexes (cyclen –... more
The infrared spectra, elemental and thermal (TG/DTG and DTA) analyses of novel [Zn(cyclen-
4N1,4,7,10)(HGly-2O,O)](ClO4)2 (1), and [Zn2(cyclen-4N1,4,7,10)2(-S-Ala-2N,O)](ClO4)3·2H2O (2)
complexes (cyclen – 1,4,7,10-tetraazacyclododecane) were recorded and analyzed in the relation to their
structural peculiarities. IR spectral data indicate both mono- or bidentate coordination mode of a carboxylate
group in the prepared complexes (at pH≈9). The results indicate unusual bidentate carboxylate
coordination mode (in complex (1)) toward to Zn2+–cyclen unit. Therefore the crystal structure determination
of the crystalline complex [Zn(cyclen-4N1,4,7,10)(NO3-2O,O)](NO3) was attached in order to
support the coordination mode assignment in complex (1).
4N1,4,7,10)(HGly-2O,O)](ClO4)2 (1), and [Zn2(cyclen-4N1,4,7,10)2(-S-Ala-2N,O)](ClO4)3·2H2O (2)
complexes (cyclen – 1,4,7,10-tetraazacyclododecane) were recorded and analyzed in the relation to their
structural peculiarities. IR spectral data indicate both mono- or bidentate coordination mode of a carboxylate
group in the prepared complexes (at pH≈9). The results indicate unusual bidentate carboxylate
coordination mode (in complex (1)) toward to Zn2+–cyclen unit. Therefore the crystal structure determination
of the crystalline complex [Zn(cyclen-4N1,4,7,10)(NO3-2O,O)](NO3) was attached in order to
support the coordination mode assignment in complex (1).
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Potentiometric titrations and 1H NMR spectroscopic studies of amino acids binding to the [ZnL]2R-complex where L¼cyclen in aqueous solution provide information concerning complexing species identity, their stability, and coordination mode... more
Potentiometric titrations and 1H NMR spectroscopic studies of amino acids binding to the [ZnL]2R-complex where
L¼cyclen in aqueous solution provide information concerning complexing species identity, their stability, and
coordination mode declaration. The amino acids form stable ternary [ZnL(HLn)]2R and [ZnL(Ln)]R complexes. The
observations indicate bidentate coordination mode of the deprotonated amino acids, involving both the amine and
the carboxylate functions to the [ZnL]2R complex in pH region of about 7.5–9.5. The determined stability constants
indicate that [ZnL]2R complex is a very efficient receptor for simple amino acids such as glycine and alanine.
L¼cyclen in aqueous solution provide information concerning complexing species identity, their stability, and
coordination mode declaration. The amino acids form stable ternary [ZnL(HLn)]2R and [ZnL(Ln)]R complexes. The
observations indicate bidentate coordination mode of the deprotonated amino acids, involving both the amine and
the carboxylate functions to the [ZnL]2R complex in pH region of about 7.5–9.5. The determined stability constants
indicate that [ZnL]2R complex is a very efficient receptor for simple amino acids such as glycine and alanine.
Research Interests:
p-Phenylenebis[diethyl(izo-propyl)arsonium] tetra-N-thiocyanatocobaltate(II) cationic-anionic complex have been synthesized and studied. The X-ray structure of +[(i-Pr)2(Et)4As2(Ph)]+[Co(NCS)4]2- have been determined. Crystals belong to... more
p-Phenylenebis[diethyl(izo-propyl)arsonium] tetra-N-thiocyanatocobaltate(II) cationic-anionic complex have been synthesized and studied.
The X-ray structure of +[(i-Pr)2(Et)4As2(Ph)]+[Co(NCS)4]2- have been determined. Crystals belong to the tetragonal system, space
group P-42(1)m) with a = 14.4930(14)Å, b = 14.4930(14)Å, c = 8.7090(19)Å; a = 90°, b = 90°, g = 90°. The structures were refined to
an R value of 0.063 from 4082 observed reflections. The As atom is coordinated tetrahedraly to the substituents as well as the anion has
a tetrahedral configuration. The synthesis and IR spectral characterization of the complex compounds are described.
The X-ray structure of +[(i-Pr)2(Et)4As2(Ph)]+[Co(NCS)4]2- have been determined. Crystals belong to the tetragonal system, space
group P-42(1)m) with a = 14.4930(14)Å, b = 14.4930(14)Å, c = 8.7090(19)Å; a = 90°, b = 90°, g = 90°. The structures were refined to
an R value of 0.063 from 4082 observed reflections. The As atom is coordinated tetrahedraly to the substituents as well as the anion has
a tetrahedral configuration. The synthesis and IR spectral characterization of the complex compounds are described.
Research Interests:
Synthesis and characterization of a series of novel Zn–cyclen–aminoacid complexes are reported and non-covalent interactions were used for the conformation changes description. In addition to the TRANS-I ++++ (same position of NH hydrogen... more
Synthesis and characterization of a series of novel Zn–cyclen–aminoacid complexes are reported and
non-covalent interactions were used for the conformation changes description. In addition to the
TRANS-I ++++ (same position of NH hydrogen atoms in both isomers) configuration we observed two different
isomers in the case of the [{Zn(D-cyclen)(HGly)}{Zn(K-cyclen)(HGly)}](ClO4)4 2H2O (1), [{Zn(Dcyclen)(
S-HPhe)}{Zn(K-cyclen)(S-HPhe)}](ClO4)4 (2) and [Zn(D-cyclen)(S-HAla)](ClO4)2 (3) complexes
with pentacoordinated zinc atom. Moreover, work also deals with the correlation between spectral
and structural properties of the prepared complexes and their thermal stability.
non-covalent interactions were used for the conformation changes description. In addition to the
TRANS-I ++++ (same position of NH hydrogen atoms in both isomers) configuration we observed two different
isomers in the case of the [{Zn(D-cyclen)(HGly)}{Zn(K-cyclen)(HGly)}](ClO4)4 2H2O (1), [{Zn(Dcyclen)(
S-HPhe)}{Zn(K-cyclen)(S-HPhe)}](ClO4)4 (2) and [Zn(D-cyclen)(S-HAla)](ClO4)2 (3) complexes
with pentacoordinated zinc atom. Moreover, work also deals with the correlation between spectral
and structural properties of the prepared complexes and their thermal stability.