A5051385677- Electrochemical Analysis and Applications
- Electrochemical sensors and biosensors
- Molecular Junctions and Nanostructures
- Synthesis and Characterization of Heterocyclic Compounds
- Quantum Dots Synthesis And Properties
- Gold and Silver Nanoparticles Synthesis and Applications
- Molecular Sensors and Ion Detection
- Magnetism in coordination complexes
- N-Heterocyclic Carbenes in Organic and Inorganic Chemistry
- Lipid Membrane Structure and Behavior
- Fluorine in Organic Chemistry
- Metal complexes synthesis and properties
- Microwave-Assisted Synthesis and Applications
- Spectroscopy and Quantum Chemical Studies
- Analytical Chemistry and Sensors
- Synthesis and Biological Evaluation
- Advanced biosensing and bioanalysis techniques
- Synthesis and Reactivity of Heterocycles
- Fuel Cells and Related Materials
- Structural and Chemical Analysis of Organic and Inorganic Compounds
- Conducting polymers and applications
- Synthesis and biological activity
- Synthesis and Reactions of Organic Compounds
- Advanced Photocatalysis Techniques
- Photoreceptor and optogenetics research
Center for Physical Sciences and Technology
2011-2023
Institute of Chemistry
2001-2010
Vilnius University
2006
Lithuanian Academy of Sciences
1999
Different cysteamine (H2N-CH2-CH2-SH) ionization forms have been studied by polarized Raman spectroscopy in solutions prepared with H2O and D2O DFT calculations at the B3LYP/6-31++G(d,p) level. To account for solvation effects, we employed integral equation formalism polarizable continuum model (IEFPCM) option explicit water molecules. Calculated relative energies spectra revealed that gauche rotamers around C-C bond are most stable conformers solution. The experimental pKa values of various...
Bifunctional self-assembled monolayers (SAMs) are widely used for construction of surfaces with desirable properties. To predict and control the function SAMs, molecular level understanding monolayer architecture is required. In this work, structure bonding positive charge bearing SAM N-(6-mercapto)hexylpyridinium (MHP) on Au Ag electrodes was probed by SERS, first-principles calculations, isotopic substitution, reductive desorption voltammetry. Based analysis immersion time-...
This study presents the synthesis of graphitic carbon nitride (g-C3N4) and its nanostructures with cobalt ferrite (CoFe2O4) silver nanocubes (Ag) when using combined pyrolysis melamine polyol method. The resulted were tested as electrocatalysts for hydrogen oxygen evolution reactions in alkaline media. It was found that Ag@CoFe2O4/g-C3N4 showed highest current density gave lowest overpotential −259 mV HER to reach a 10 mA cm−2 1 M KOH. overpotentials reaching mA·cm−2 OER 370.2 382.7...
Abstract Direct electron transfer (DET) between cellobiose dehydrogenase from Humicola insolens ascomycete ( Hi CDH) and gold nanoparticles (AuNPs) was achieved by modifying AuNPs with a novel, positively charged thiol N‐(6‐mercapto)hexylpyridinium (MHP). The DET enabled the use of CDH enzyme as an anodic biocatalyst in design mediatorless carbohydrate/oxygen enzymatic fuel cell (EFC). A biocathode EFC based on bilirubin oxidase Myrothecium verrucaria Mv BOx) directly immobilised surface...
Abstract New hydrazones of 2-(5-thioxo-4,5-dihydro-1,3,4-thiadiazol-2-ylthio)acetohydrazide have been obtained and the percentages anti/syn - conformers were determined. Based on analyses 1H NMR spectra, it was concluded that for from 2- hydroxybenzaldehydes 2’-hydroxycetophenones ratio between anti-and syn-conformers depends strength intramolecular hydrogen bond (IMHB) nitrogen atom imino group proton 2-hydroxy group. It shown increase in IMHB results stabilization anti-conformer solution.
Water is required for biological function of tethered bilayer lipid membranes (tBLMs) consisting a anchored by mixed self-assembled monolayer (SAM) to solid support. In this work, water-induced structural changes in SAMs and bonding with gold substrate were probed situ the isotope-edited SERS coupled first-principles calculations. The assignment bands was based on experimental analysis deuterated 2-mercaptoethanol (ME-D4) quantum chemical modeling adsorption complexes Au cluster 10 atoms....
Multifunctional amide-containing self-assembled monolayers (SAMs) provide prospects for the construction of interfaces with required physicochemical properties and distinctive stability. In this study, we report synthesis thiols terminal phenylalanine (Phe) ring functionality (HS(CH2)7CONH(CH2)2C6H5) characterization formation SAMs from these on gold by reflection absorption infrared spectroscopy (RAIRS). For reliable assignments vibrational bands, deuterated analogs were synthesized studied...
An unusually low frequency (near 2820 cm−1) C–H stretching band of methylene groups was detected using the SERS technique at initial stage formation self-assembled monolayers on Au and Ag substrates from bifunctional alkanethiol molecules containing indole phenol ring terminal groups. Based sensitivity parameters to nature substrate, potential temperature, observed attributed vibration –CH2 directly contacting metal surface.
Electrode potential effect on the molecular structure of adsorbed species at an interface is one most important issues in physical electrochemistry. In this study, shell-isolated nanoparticle-enhanced Raman spectroscopy (SHINERS) was used to probe electrochemical bonding with surface, ion-pairing, and a positive charge bearing self-assembled monolayer formed from N-(6-mercapto)hexylpyridinium (MHP) smooth gold electrode aqueous perchlorate solutions. situ SHINERS results show that Au–S...
The formation of a covalent bond between the copper electrode and adsorbate bearing an imidazole ring is experimentally theoretically evidenced by isotopic <sup>63</sup>Cu/<sup>65</sup>Cu frequency shift Cu–N stretching mode at 222 cm<sup>−1</sup>.
This study presents the synthesis of graphitic carbon nitride (g−C3N4) and its nanostructures with cobalt ferrite oxide (CoFe2O4) silver nanocubes (Ag) using combined pyrolysis melamine polyol method. The resulted were tested as electrocatalysts for hydrogen oxygen evolution reactions in alkaline media. It was found that Ag/CoFe2O4/g−C3N4 shows highest current density gives lowest overpotential −259 mV HER to reach a 10 mA cm−2 1 M KOH. Overpotentials mA·cm−2 OER are 370.2 382.7...
The adsorption of cysteamine on a roughened polycrystalline copper electrode in acidic solution has been studied, in‐situ, using surface‐enhanced Raman spectroscopy (SERS). It was shown that gauche/trans rotational isomerization the adsorbate depends concentration cysteamine. Coadsorption oxyanions (ClO4 − and SO4 2 −) with detected spectroscopically. At relatively high concentrations (10− 4 M) physisorption evidenced by minor shift (within 5 cm− 1) totally symmetric vibrational frequency,...
New 4-cyclo(propyl-and butyl)pyridinium salts have been prepared by alkylation of 4picolinium salt with α,ω-dibromoalkanes under phase-transfer catalysis conditions.The influence the nature and concentration was investigated.The experimentally determined H C NMR chemical shifts were compared values calculated using GIAO/DFT HF approach in gas-phase and/or methanol IEF-PCM method.