A5044604307- Crystallization and Solubility Studies
- X-ray Diffraction in Crystallography
- Crystallography and molecular interactions
- NMR spectroscopy and applications
- Petroleum Processing and Analysis
- Hydrocarbon exploration and reservoir analysis
- Spectroscopy and Chemometric Analyses
- Analytical Chemistry and Chromatography
- Crystal structures of chemical compounds
- Analytical Methods in Pharmaceuticals
- Computational Drug Discovery Methods
- Synthesis and Characterization of Heterocyclic Compounds
- Metal-Organic Frameworks: Synthesis and Applications
- RNA and protein synthesis mechanisms
- Organic Chemistry Cycloaddition Reactions
- Various Chemistry Research Topics
- Synthesis and biological activity
- Chemical Reactions and Isotopes
- Chemical Reaction Mechanisms
- Structural and Chemical Analysis of Organic and Inorganic Compounds
- Molecular spectroscopy and chirality
- Metabolomics and Mass Spectrometry Studies
- Synthesis and Reactions of Organic Compounds
- Molecular Spectroscopy and Structure
- Cancer therapeutics and mechanisms
University of Zagreb
2014-2024
In this study, the hydrothermal co-carbonization (co-HTC) of residues from vegetable oil industry (pumpkin cake – PC, hemp HC) and sewage sludge (SS) was investigated for first time. The co-HTC performed at 250 °C a treatment time 5 h. effects mass ratio feedstocks (1:1, 1:3 3:1) on properties HTC products were using various analytical methods (NMR, XRD, 3D-EEM, FTIR, etc.). SS with cakes resulted in improved fuel hydrochar an increase C content 36.9 to 53.7 wt%, higher heating value (HHV)...
An approach that combines NMR spectroscopy and inductively coupled plasma mass spectrometry (ICP-MS) advanced tensor decomposition algorithms with state-of-the-art deep learning procedures was applied for the classification of Croatian continental sparkling wines by their geographical origin. It has been demonstrated complex high-dimensional or ICP-MS data cannot be classified higher-order alone. Extension procedure reinforcement resulted in an exquisite neural network predictive model...
Pyridoxal hydrazonato molybdenum(VI) complexes were prepared by the reaction of corresponding hydrazone (H2L1 = pyridoxal isonicotinic acid hydrazone, H2L2 benzhydrazone, H2L3 4-hydroxy benzhydrazone) and [MoO2(acac)2] under appropriate conditions. The can be classified into three categories: mononuclear [MoO2(L1–3)(MeOH)], polynuclear [MoO2(L1–3)]n hybrid organic–inorganic compounds with Lindqvist polyoxomolybdate [MoO2(HL1–3)]2Mo6O19. A unique example a cationic polymer assembly anions is...
Brewer's spent grain (BSG) is an important secondary raw material that provides a readily available natural source of nutraceuticals. It finds its largest application as animal feed and part the human diet, while future perspective predicts in production value-added products. In order to investigate sustainable BSG treatment method, two samples (BSG1 BSG2) were evaluated substrates for hydrolytic (xylanase, β-glucosidase cellulase) lignolytic enzymes (laccase, manganese peroxidase lignin...
The development of a quantitative in-line Raman spectroscopic method for the monitoring active pharmaceutical ingredient, omeprazole synthesis reaction, and characterization reaction components is described. In-line was performed both with Fourier transform dispersive spectrometers. Prior to monitoring, were characterized off-line by means NMR spectroscopy, in solution solid state. To unequivocally confirm presence each component mixture, state art LC-SPE/NMR methodology also used. Owing its...
Several phenylenediamine derivatives of dehydroacetic acid, 3-acetyl-4-hydroxy-6-methyl-2Hpyran-2-one have been synthesized and their structure elucidated by using NMR IR spectroscopies mass spectrometry.Spectral analyses pointed toward the localized keto-amine form as predominant tautomeric in solution solid-state which was agreement with X-ray data.The relatively broad N-H stretching bands observed spectra significant proton down-field keto C=O up-field shifts indicated presence...
1,5-Bis(salicylidene)carbohydrazide, prepared by a condensation reaction of salicylaldehyde and carbohydrazide, afforded diversity crystalline forms depending on crystallization conditions: three polymorphs (I, II, III) two solvates (IV V). All solid phases comprise the same tautomer title compound, which bears salicylidene residues in enol-imino form carbamide fragment keto form, as established via X-ray crystallography, IR spectroscopy, cross-polarization magic-angle spinning (CP MAS) NMR...
The condensation reaction between carbohydrazide and salicylaldehyde in different solvents gave mono(salicylidene)carbohydrazide (1).The structure of 1 solution has been determined by using experimental (NMR UV spectroscopies Mass spectrometry) quantum chemical (DFT) methods.It demonstrated that adopts the hydroxy-one tautomeric form which is accordance with previously published results for related systems.Changes NMR shifts calculations have pointed towards a formation intra-and...
Abstract Crystallization of the drug entacapone from binary solvent mixtures was monitored in situ using a Raman optical probe. The recorded spectra and statistical analysis, which included principal components method indirect hard modeling made it possible to estimate starting point crystallization, assess crystallization temperatures provide information on polymorphic content mixture. It established that were proportional volume mixtures. samples also evaluated off-line via spectroscopy...
Asphaltenes are the most polar oil components with molecular weights between 500 and 1000 Da, which primarily consist of carbons hydrogens, some heteroatoms, such as nitrogen, sulphur, oxygen traces nickel, vanadium iron. Owing to their extreme complexity, it is almost impossible completely identify all compounds present in asphaltene samples. Various analytical techniques approaches were used characterize asphaltenes but structure composition still a matter thorough investigations. NMR...
We have shown that asphaltene self-association induces temperature gradients and convection currents it is necessary to suppress these effects obtain accurate data by DOSY NMR techniques. An interesting finding of this investigation aggregation process has been found be affected the magnetic field. The obtained results for first time a significant increase in diffusion coefficients aggregates upon field strength indicating higher molecular mobility present species possible degradation...
On-line coupling of high performance liquid chromatography with diode array detection to solid phase extraction combined nuclear magnetic resonance (LC-DAD-SPE-NMR) was used monitor carbohydrazide condensation reaction progress. First, a chromatographic method developed and optimised individual peak separation readily achieved by using an isocratic acetonitrile-phosphate buffer mobile phase. Subsequently, separated compounds were trapped on SPE cartridges dried nitrogen gas. Peak elution...
The structure and interactions of several aminopropyl-azithromycin derivatives (1a-c) have been studied by using NMR spectroscopy docking calculations. Compounds 1a-c are precursors in the synthesis macrozones, novel bioactive azithromycin-thiosemicarbazone conjugates active against some resistant bacterial strains. Today, resistance is considered as one major threats to human health. Knowledge on drug binding mode conformations key factors process designing molecules fight resistance. In...
Bioactive oxazolidinones formed dimers in chloroform and solid state; more polar solvents, hydrogen bonds with solvent molecules were observed.