Search results for "FTIR"
showing 10 items of 146 documents
Experimental FTIR-MI and Theoretical Studies of Isocyanic Acid Aggregates
2023
Homoaggregates of isocyanic acid (HNCO) were studied using FTIR spectroscopy combined with a low-temperature matrix isolation technique and quantum chemical calculations. Computationally, the structures of the HNCO dimers and trimers were optimized at the MP2, B3LYPD3 and B2PLYPD3 levels of theory employing the 6-311++G(3df,3pd) basis set. Topological analysis of the electron density (AIM) was used to identify the type of non-covalent interactions in the studied aggregates. Five stable minima were located on the potential energy surface for (HNCO)2, and nine were located on the potential energy surface for (HNCO)3. The most stable dimer (D1) involves a weak, almost linear N-H⋯N hydrog…
Sequential dissociation of insulin amyloids probed by high pressure Fourier transform infrared spectroscopy
2012
High Pressure (HP) Fourier Transform Infrared Spectroscopy (FTIR) has been here employed to investigate the thermodynamic stability of bovine pancreatic insulin (BPI) amyloids. Once the aggregation reaction has started, the backbone arrangement of the proteins forming the amyloid is known to reach a stationary phase in few hours; after this time the infrared absorption of fibrils becomes stable. It is here shown how the further stabilization of the structure during the stationary phase can be probed via FTIR spectroscopy, through the observation of the high pressure behaviour of fibrils formed at different maturation stages. We report on the high pressure fragmentation of insulin amyloids, …
FTIR analysis of the high pressure response of native insulin assemblies
2013
It is widely recognized that a central role in conferring stability to the structure of proteins against misfolding and aggregation is played by the formation of oligomers. The case of insulin is prototypical in this respect: in our body it is stored up in stable inactive hexameric assemblies whereas only in its monomeric form it recovers the role of regulating carbohydrate and fat metabolism. In the present paper, exploiting the optimal coupling between FTIR spectroscopy and diamond anvil cell technique, we probe the stability of different insulin oligomeric forms under high pressure, namely over the ranges 0-15 kbar for water solution and 0-80 kbar for dry powder. Results obtained show di…
Bioaccumulation of Trace Elements from Aqueous Solutions by Selected Terrestrial Moss Species
2022
The interrelationship between metal concentrations in mosses and their surroundings prompts research toward examining their accumulation properties, as it is particularly important for their usage in biomonitoring studies that use mosses. In this study, the kinetics of elemental sorption in three moss species (Pleurozium schreberi, Dicranum polysetum, and Sphagnum fallax) were investigated under laboratory conditions. Sorption from metal salt solutions was carried out under static conditions with decreasing elemental concentration. Functional groups responsible for binding metal cations to the internal structures of the mosses were also identified. It was shown that the equilibrium state wa…
Tolerance, Adaptation, and Cell Response Elicited by Micromonospora sp. Facing Tellurite Toxicity: A Biological and Physical-Chemical Characterization
2022
The intense use of tellurium (Te) in industrial applications, along with the improper disposal of Te-derivatives, is causing their accumulation in the environment, where oxyanion tellurite (TeO32−) is the most soluble, bioavailable, and toxic Te-species. On the other hand, tellurium is a rare metalloid element whose natural supply will end shortly with possible economic and technological effects. Thus, Te-containing waste represents the source from which Te should be recycled and recovered. Among the explored strategies, the microbial TeO32− biotransformation into less toxic Te-species is the most appropriate concerning the circular economy. Actinomycetes are ideal candidates in…
Effect of catalyst composition on chain‐end‐group of polyethylene produced by salen‐type complexes of titanium, zirconium, and vanadium
2010
The chain end structures of polyethylenes produced by salen complexes of titanium, zirconium, and vanadium, activated by MAO or common alkylaluminium compounds were investigated by 1H NMR and FTIR spectroscopy. The polymerization process with the use of vanadium complexes was found to produce polymers with only vinyl end groups in practice. In the processes catalyzed by titanium and zirconium complexes activated by MAO or Et2AlCl, not only β‐hydrogen elimination and/or chain transfer to the monomer occurs but also the chain termination reaction takes place in which an organoaluminium cocatalyst is involved. That reaction proceed particularly easily in the systems: titanium complex/Et2AlCl.
Weathering of low-density polyethylene grafted with itaconic acid in laboratory tests
2011
Polyethylene grafted with itaconic acid was subjected to weathering under laboratory accelerated conditions. The course of the photo-oxidative degradation process of that material was studied by FTIR spectroscopy both through quantitative measurements of changes in absorbance values at selected wave numbers and through measurements of surface area values for absorption bands which were separated by means of deconvolution. The use of both those procedures of quantitative determinations resulted in a general conclusion that the oxidation process was initiated from the very first moment of irradiation, and it produced ketones, acids, esters (intramolecular and of acetate type), peracids, peres…
Role of Solvent on Protein-Matrix Coupling in MbCO Embedded in Water-Saccharide Systems: an FTIR study.
2006
Embedding protein in sugar systems of low water content enables one to investigate the protein dynamicstructure function in matrixes whose rigidity is modulated by varying the content of residual water. Accordingly, studying the dynamics and structure thermal evolution of a protein in sugar systems of different hydration constitutes a tool for disentangling solvent rigidity from temperature effects. Furthermore, studies performed using different sugars may give information on how the detailed composition of the surrounding solvent affects the internal protein dynamics and structural evolution. In this work, we compare Fourier transform infrared spectroscopy measurements (300–20 K) on MbCO e…
Spectroscopic studies of semiconducting single-walled carbon nanotubes
2010
The unique nature of optical properties of single-walled carbon nanotubes (SWCNT), together with their promising potential applications, have created enormous interest towards the photophysics of SWCNT. Many aspects of carbon nanotubes originate from the electronic structure of carbon honeycomb lattice and one-dimensionality. SWCNTs exist in various chiral structures and diameters, which the optical and electrical properties are dependent on. It has been discovered that SWCNT excited states are excitonic with strong Coulomb interaction between the electron and the hole. However, many features of excitons are not yet well defined, such as absorption cross-sections, fluorescence quantum yield…
Data set: Towards a rapid screening of liver grafts at the operating room using mid-infrared spectroscopy
2020
The estimation of steatosis in a liver graft is mandatory prior to liver transplantation, as the risk of graft failure increases with the level of infiltrated fat. However, the assessment of liver steatosis before transplantation is typically based on a qualitative or semi-quantitative characterization by visual inspection and palpation, and histological analysis. Thus, there is an unmet need for transplantation surgeons to have access to a diagnostic tool enabling an in situ fast classification of grafts prior extraction. In this study, we have assessed an Attenuated Total Reflection-Fourier Transform Infrared (ATR-FTIR) spectroscopic method compatible with the requirements of an operation…