Prediction of Specialty Coffee Flavors Based on Near-Infrared Spectra Using Machine and Deep Learning Methods.
Sign Up to like & getrecommendations! Published in 2021 at "Journal of the science of food and agriculture"
DOI: 10.1002/jsfa.11116
Abstract: BACKGROUND Specialty coffee fascinates people with its bountiful flavors. Currently, flavor descriptions of specialty coffee beans are only offered by certified coffee cuppers. However, such professionals are rare, and the market demand is tremendous. The… read more here.
Keywords: near infrared; infrared spectra; specialty coffee; coffee flavors ... See more keywords
Infrared spectra of PEHA molecule and its resistance to oxidation in water and methanol media at 298.15 K: solvent cluster size dependency
Sign Up to like & getrecommendations! Published in 2020 at "Journal of Molecular Modeling"
DOI: 10.1007/s00894-020-04584-1
Abstract: The present work investigates the infrared spectra and solvation free energies (SE) of PEHA ((E)-2-(Pyridin-2-yl) ethyl 3-(3,4-dihydroxyphenyl) acrylate) and their impact on the oxidation. The latter was examined through the ionization potential parameter (IP). These… read more here.
Keywords: molecule; oxidation; water methanol; water ... See more keywords
Temperature correction strategy for improving concentration predictions with near-infrared spectra of aqueous-based samples.
Sign Up to like & getrecommendations! Published in 2020 at "Analytica chimica acta"
DOI: 10.1016/j.aca.2019.09.034
Abstract: Concentration predictions from near-infrared spectra are used across a range of application areas. When aqueous samples are employed, the extreme temperature sensitivity of underlying water absorption bands can lead to significant errors in predicted analyte… read more here.
Keywords: temperature; near infrared; infrared spectra; concentration ... See more keywords
Crystal structure, infrared spectra and microwave dielectric properties of a novel low-firing Gd2Zr3(MoO4)9 ceramic
Sign Up to like & getrecommendations! Published in 2019 at "Ceramics International"
DOI: 10.1016/j.ceramint.2019.07.243
Abstract: Abstract A new Gd 2 Zr 3 (MoO 4 ) 9 (GZM) ceramic was prepared using the solid-state method at a low sintering temperature. A single phase, with trigonal structure in R-3c space group, was… read more here.
Keywords: microwave dielectric; structure infrared; dielectric properties; structure ... See more keywords
Structures, energetics, and infrared spectra of the cationic monomethylamine clusters
Sign Up to like & getrecommendations! Published in 2019 at "Chemical Physics"
DOI: 10.1016/j.chemphys.2019.04.002
Abstract: Abstract The structures, energetics, and infrared spectra of the cationic monomethylamine clusters (MMA)n+ were studied using quantum chemical calculations. The results reveal the preference of the formation of proton-transferred CH3NH3+-NH2CH2 ion-radical contact pair structure via… read more here.
Keywords: monomethylamine clusters; energetics infrared; cationic monomethylamine; infrared spectra ... See more keywords
Assessment of effects of Mg treatment on corrosivity of molten NaCl-KCl-MgCl2 salt with Raman and Infrared spectra
Sign Up to like & getrecommendations! Published in 2020 at "Corrosion Science"
DOI: 10.1016/j.corsci.2019.108350
Abstract: Abstract The effects of Mg treatment (i.e. adding Mg metal into the salt system) on the corrosion behavior of Ni-based alloys in molten NaCl-KCl-MgCl2 salt at 800 °C were investigated using immersion tests and SEM/EDS analysis.… read more here.
Keywords: salt; effects treatment; corrosivity; infrared spectra ... See more keywords
Infrared spectra of Rg1,2-C6H6 complexes, Rg = He, Ne, Ar
Sign Up to like & getrecommendations! Published in 2018 at "Chemical Physics Letters"
DOI: 10.1016/j.cplett.2018.10.012
Abstract: Abstract Infrared spectra of Rg1,2 - C6H6 complexes (Rg = He, Ne, Ar) are observed in the region of the ν12 fundamental of C6H6 using a pulsed supersonic jet expansion and a tunable optical parametric oscillator laser… read more here.
Keywords: c6h6; c6h6 complexes; rg1 c6h6; infrared spectra ... See more keywords
In silico methods in forensic science: Quantum chemistry and multivariate analysis applied to infrared spectra of new amphetamine- and cathinone-derived psychoactive substances
Sign Up to like & getrecommendations! Published in 2018 at "Forensic Chemistry"
DOI: 10.1016/j.forc.2018.03.006
Abstract: Abstract Identifying new psychoactive substances in a reliable manner is an exciting idea in forensic science. In this work, we apply in silico methods to recognize classes of drugs. We calculate the infrared spectra of… read more here.
Keywords: forensic science; psychoactive substances; silico methods; chemistry ... See more keywords
Structure, Raman spectra, far-infrared spectra and microwave dielectric properties of temperature independent CeVO4TiO2 composite ceramics
Sign Up to like & getrecommendations! Published in 2017 at "Journal of Alloys and Compounds"
DOI: 10.1016/j.jallcom.2016.09.327
Abstract: Abstract A series of temperature-stable microwave dielectric (1 − x)CeVO 4 -xTiO 2 (0.0 ≤ x ≤ 0.4) ceramics were prepared by using solid-state reaction method. All the samples could be sintered well at 1025 °C-1150 °C for 2 h. X-ray diffraction (XRD) and… read more here.
Keywords: structure raman; dielectric properties; microwave dielectric; infrared spectra ... See more keywords
Classical infrared spectra of ionic crystals and their relevance for statistical mechanics
Sign Up to like & getrecommendations! Published in 2018 at "Physica A: Statistical Mechanics and its Applications"
DOI: 10.1016/j.physa.2018.04.070
Abstract: It was recently shown that the experimental infrared spectra of ionic crystals at room temperature are very well reproduced by classical realistic models, and here new results are reported on the temperature dependence of the… read more here.
Keywords: temperature; statistical mechanics; ionic crystals; infrared spectra ... See more keywords
Isomers of the Allyl Carbocation C3H5+ in Solid Salts: Infrared Spectra and Structures
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DOI: 10.1021/acsomega.1c01316
Abstract: Three isomers of the allyl cation C3H5+ were obtained in salts with the carborane anion CHB11Cl11–. Two of them, angular CH3–CH=CH+ (I) and linear CH3–C+=CH2 (II), were characterized by X-ray crystallography, and the third one,… read more here.
Keywords: c3h5 solid; carbocation c3h5; allyl carbocation; isomers allyl ... See more keywords