Search results for "IR spectroscopy"

Accelerated weathering of polypropylene/wood flour composites

2008

Stereoelectronic Properties of N-acetyl-α,β-dehydroamino acid N′-methylamides

1998

α,β-Dehydroamino acids are useful peptide modifiers. However, their stereoelectronic properties still remain insufficiently recognized. Based on FTIR experiments in the range of νs(N-H), AI, AII and νs(Cα=Cβ) and ab initio calculations with B3LYP/6-31G*, we studied the solution conformational preferences and the amide electron density perturbation of Ac-ΔXaa-NHMe, where ΔXaa = ΔAla, (E)-ΔAbu, (Z)-ΔAbu, (Z)-ΔLeu, (Z)-ΔPhe and ΔVal. Each of these dehydroamides adopts a C5 structure, which in Ac-ΔAla-NHMe is fully extended and accompanied by the strong C5 hydrogen bond. Interaction with bond Cα=Cβ lessens the amidic resonance within the flanking amide groups. The N-terminal C=O bond is noticea…

Dimers of the Higher-Energy Conformer of Formic Acid: Experimental Observation

2012

We report on the first experimental observation of formic acid dimers composed of two molecules of the higher-energy cis conformer. The cis–cis formic acid dimers are prepared in an argon matrix by selective vibrational excitation of the ground state trans conformer (deuterated form HCOOD) combined with thermal annealing of the matrix at about 30 K. Five cis–cis formic acid dimers are predicted by ab initio calculations (interaction energies from −16.9 to −27.2 kJ molˉ¹), and these structures are used for the assignment of the experimental spectra. Selective vibrational excitation of the obtained cis–cis dimers leads to the formation of several trans–cis dimers, which supports the proposed …

Thermal aggregation of glycated bovine serum albumin

2010

International audience; Aggregation and glycation processes in proteins have a particular interest in medicine fields and in food technology. Serum albumins are model proteins which are able to self-assembly in aggregates and also sensitive to a non-enzymatic glycation in cases of diabetes. In this work, we firstly reported a study on the glycation and oxidation effects on the structure of bovine serum albumin (BSA). The experimental approach is based on the study of conformational changes of BSA at secondary and tertiary structures by FTIR absorption and fluorescence spectroscopy, respectively. Secondly, we analysed the thermal aggregation process on BSA glycated with different glucose con…

Structure and vibrational features of the protic ionic liquid 1,8-diazabicyclo[5.4.0]-undec-7-ene-8-ium bis(trifluoromethanesulfonyl)amide, [DBUH][TF…

2022

Abstract The Protic Ionic Liquid (PIL) formed by neutralization of the super-strong base 1,7-diazabicyclo[5.4.0]undec-7-ene (DBU) with the super-strong acid bis(trifluoromethanesulfonyl)-imide (TFSI), indicated as [DBUH][TFSI], has been investigated. Its chemical physical properties and structural features have been explored using a synergy of experimental and computational tools. Molecular Dynamics-rationalised X-ray diffraction patterns highlight the major role played by hydrogen bonding (HB) in affecting morphology in this PIL. A comparison between HB features in this and in related PILs has been presented, on the base of far-IR experiments and DFT analysis. Indications of a weaker HB in…

The Pyridyl Functional Groups Guide the Formation of Pd Nanoparticles Inside A Porous Poly(4-Vinyl-Pyridine)

2015

The reactivity of palladium acetate inside a poly(4-vinylpyridine-co-divinylbenzene) polymer is strongly influenced by the establishment of interaction between the Pd precursor and the pyridyl functional group in the polymer. Diffuse reflectance infrared Fourier transform spectroscopy (DRIFTS) and simultaneous X-ray absorption near edge structure (XANES) and small angle X-ray scattering (SAXS) techniques have been applied to monitor the reactivity of palladium acetate in the presence of H-2 and CO as a function of temperature. H-2 reduces palladium acetate to Pd nanoparticles and acetic acid. The pyridyl groups in the polymer play a vital role both in stabilizing the formed acetic acid, thu…

Spectroscopic markers of the T-R quaternary transition in human hemoglobin

2004

n questo lavoro, usiamo un protocollo sol-gel per intrappolare e confrontare gli stati quaternari R e T di entrambi i deossigenati (deossiHb) ederivati ​​di ossido di carbonio (HbCO) dell'emoglobina umana. La banda di assorbimento ottico del vicino infrarosso III e lo stretching di CO a infrarossibanda sono utilizzati per rilevare l'effetto della struttura quaternaria sulle proprietà spettrali di deoxyHb e HbCO; confronto con mioglobinaconsente una valutazione dei contributi terziari e quaternari ai turni di banda misurati. La RXLa transizione T è indicata per causare un bluspostamento della banda III di ~ 35 cm?1per deoxyHb e uno spostamento rosso della banda di allungamento CO di soli ~ 0…

Nano-Oxides produced by ns laser ablation in liquids

2014

Laser ablation in liquids was successfully applied to produce nanosized oxides from Si, Ti and Zn targets. The obtained colloidal solutions of nanoparticles were investigated by complementary techniques: AFM, IR and Raman spectroscopies; optical absorption and time resolved photoluminescence. The results demonstrate the production of SiO2, TiO2 and ZnO. The absorption and emission properties of these material have been also investigated and appear to be promising for optical applications.

Volatiles in pantellerite magmas: A case study of the Green Tuff Plinian eruption (Island of Pantelleria, Italy)

2013

Abstract The Green Tuff (GT) Plinian eruption, the largest in magnitude at Pantelleria, erupted 3 to 7 km3 DRE of pantellerite magma and a small volume of trachyte. Fifty-nine anorthoclase-hosted melt inclusions from the two basal pumice members were analyzed by FT-IR spectroscopy in order to assess the pre-eruptive H2O content in the pantellerite melt. Microanalytical methods were used to determine major element, Cl, F and S contents. Melt inclusions and glassy groundmasses have a nearly homogeneous pantelleritic composition (peralkaline index = 1.9-2.2) and variable water contents ranging from 1.4 to as high as 4.2 wt %, i.e. much higher than the 1.4 wt % of earlier published studies. The…

Characterization of the nucleation process of lysozyme at physiological pH: Primary but not sole process

2013

We report on a kinetic study of the heat-induced aggregation process of lysozyme at physiological pH. The time evolution of the aggregation extent and the conformational changes of the protein were followed by dynamic light scattering (DLS) and FTIR spectroscopy, respectively, whereas the morphology of the aggregates was observed by Atomic Force Microscopy (AFM). The conformational changes of the secondary and tertiary structures were simultaneous and distinct in time with respect to the formation of aggregates. Oligomer formation occurred through at least two different aggregation processes: a nucleation process and a homogeneous non-nucleative diffusion-controlled process. FTIR measuremen…