Lactose is a common component found in many foods and dairy products. In this study, the vibrational signatures in the crystalline structure of α-, β-, and α-lactose monohydrate were calculated based on quantum chemistry calculation (QCC), whilst the vibrational spectra in freeze-dried lactose equilibrated at various a and pre-humidified amorphous lactose (0.33 a) stored from 25 to 95 °C were determined by using Raman and FT-IR spectroscopies. The vibrational signatures of crystalline lactose were affected by the presence of water according to QCC results. Water plasticization, involving water insertion, exposure of H-bonding sites, and structure disruption, was accelerated by storage temperature based on Raman and FT-IR spectra analysis. Raman spectra indicated that the crystal formation of lactose was affected by a and storage temperature. Moreover, the spectral changes assigned in OH group provided useful information for determining the critical a or temperature when T-related molecular mobility occurred in lactose-containing products.
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http://dx.doi.org/10.1016/j.foodchem.2020.128215 | DOI Listing |
Chirality
January 2025
JASCO Corporation, Japan.
A vibrational circular dichroism (VCD) instrument having a thermoelectrically cooled detector (denoted as a TEC unit) was constructed in this study. An electronic device, instead of liquid nitrogen, was employed in the instrument to cool the detector. The feasibility of the system was examined by recording the VCD spectra of liquid pinenes and insect wings.
View Article and Find Full Text PDFJ Phys Chem B
January 2025
Center for Ultrafast Science and Technology, School of Chemistry and Chemical Engineering, Shanghai Jiao Tong University, Shanghai 200240, China.
Fermi resonance is a common phenomenon, and a hidden caveat exists in the applications of infrared probes, causing spectral complication and shorter vibrational lifetime. In this work, using the cyanotryptophan (CNTrp) side chain model compound 5-cyanoindole (CN-5CNI), we performed Fourier transform infrared spectroscopy (FTIR) and two-dimensional infrared (2D-IR) spectroscopy on unlabeled CN-5CNI and its isotopically labeled substituents (CN-5CNI, CN-5CNI, CN-5CNI) and demonstrated the existence of Fermi resonance in 5CNI. By constructing the Hamiltonian and simulating 2D-IR spectra, we show that the distinct Fermi resonance 2D-IR patterns in various isotope substituents are determined by the quantum mixing consequences at the = 1 state, as well as the = 2 state, where the Fermi coupling and anharmonicity play a crucial role.
View Article and Find Full Text PDFJ Phys Chem B
January 2025
Chemical, Biological and Macromolecular Sciences, S. N. Bose National Centre for Basic Sciences, J. D. Block, Sec.III, Salt Lake, Kolkata, West Bengal 700 098, India.
We investigated the temperature dependence of the intermolecular dynamics, including intermolecular vibrations and collective orientational relaxation, of one of the most typical deep eutectic solvents, reline, using femtosecond Raman-induced Kerr effect spectroscopy (fs-RIKES), subpicosecond optical Kerr effect spectroscopy (ps-OKES), and molecular dynamics (MD) simulations. According to fs-RIKES results, the temperature-dependent intermolecular vibrational band peak at ∼90 cm exhibited a redshift with increasing temperature. The density-of-state (DOS) spectrum of reline by MD simulations reproduced this fs-RIKES spectral feature.
View Article and Find Full Text PDFSpectrochim Acta A Mol Biomol Spectrosc
January 2025
Institute of Atomic and Molecular Physics, Jilin University, Changchun 130012 China. Electronic address:
The line list is essential for accurately modeling various astrophysical phenomena, such as stellar photospheres and atmospheres of extrasolar planets. This paper introduces a new line database for the PS molecule spanning from the ultraviolet to the infrared regions, covering wavenumbers up to 45000 cm and containing over ten million transitions between 150,458 states with total angular momentum J < 160. Accurate line intensities for rotational, vibrational and electronic transitions are generated by using the general purpose variational code DUO.
View Article and Find Full Text PDFFoods
January 2025
Center of Excellence Polymer Processing, Faculty of Engineering, Dunarea de Jos University of Galați, Domnească Street, No. 111, 800201 Galați, Romania.
Electrospinning is a versatile technique for obtaining nano/micro fibers which are able to significantly change the active properties of composite materials and bring in new dimensions to agri-food applications. Composite bio-based packaging materials obtained from whey proteins, functionalized with thyme essential oil (TEO) and reinforced by electrospun polylactic acid (PLA) fibers, represent a promising solution for developing new active food packaging using environmentally friendly materials. The aim of this study is to obtain and characterize one-side-active composite films covered with a PLA fiber mat: (i) WF/G1, WF/G2, and WF/G3 resulting from electrospinning with one needle at different electrospinning times of 90, 150, and 210 min, respectively, and (ii) WF/G4 obtained with two face-to-face needles after 210 min of electrospinning.
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