Structural and nutritional characterization of macromolecular complexes in new bioenergy feedstock by infrared radiation with advanced molecular spectroscopy and spectral chemometrics

Abstract

The objective of this research was to characterize new bio-energy feedstocks in comparison with conventional feedstock by infrared radiation with advanced molecular spectroscopy in terms of association of molecular structure with nutrient delivery in ruminant livestock systems. This study focused on the effect of molecular structure changes on nutrient delivery to ruminant system. The updated methods of various lab, animal and modeling techniques for nutrient delivery study in ruminant livestock systems were reviewed. The molecular spectral analyses used in this study included both univariate and multivariate molecular spectral analyses. The relationship between molecular structural features and truly absorbed nutrient supply was quantified. The research provides information how inherent structure features in the new types of Applied Spectroscopy Reviews ACCEPTED MANUSCRIPT ACCEPTED MANUSCRIPT 2 bioenergy feedstock on a molecular basis affected nutrient delivery in ruminant livestock systems.

Investigating Molecular Structures of Bio-Fuel and Bio-Oil Seeds as Predictors To Estimate Protein Bioavailability for Ruminants by Advanced Nondestructive Vibrational Molecular Spectroscopy

“…Primarily, carinata was developed for oil production as biofuel; however, the excellent agronomic traits (high yield in hot, dry, and semiarid climates), associated with a high oil protein content (20–30% of seed weight), has increased the use of this seed as feedstuff. ,− Furthermore, the cultivated area of carinata has been expanded worldwide, and the breeding program has developed lines with low glucosinolate levels, increasing the commercial interest for this oilseed. − , Currently, the Agriculture and Agri-Food Canada (AAFC) has bred zero erucic acid and low-glucosinates lines, and the Canadian Food Inspection Agency (CFIA) approved the use of carinata meal in beef cattle ration . However, published research related to the nutritional and metabolic effects of carinata seeds in dairy cows and the relationships between the inherent molecular structure and nutrient bioavailability is still limited. ,, …”

“…The attenuated total reflectance Fourier transform infrared vibrational spectroscopy (ATR-Ft/VMS) is a rapid and noninvasive technique applied to identify molecular constituents from their vibrational spectra in the mid-infrared region. , The mid-infrared spectrum (ca. 4000 to 800 cm –1 ) is used to identify molecular-level information due to a strong absorbance of many molecules or functional groups observed in this region. , The principle of ATR-Ft/VMS is based on the organic molecules contain specific bonds and functional groups that vibrates independently when submitted to the infrared (IR) light. When the energy or frequency of IR meets any vibrational frequency of molecules in the sample, absorption occurs.…”

“…10 However, published research related to the nutritional and metabolic effects of carinata seeds in dairy cows and the relationships between the inherent molecular structure and nutrient bioavailability is still limited. 7,11,12 The attenuated total reflectance Fourier transform infrared vibrational spectroscopy (ATR-Ft/VMS) is a rapid and noninvasive technique applied to identify molecular constituents from their vibrational spectra in the mid-infrared region. 13,14 The mid-infrared spectrum (ca.…”

“…4000 to 800 cm −1 ) is used to identify molecular-level information due to a strong absorbance of many molecules or functional groups observed in this region. 11,15 The principle of ATR-Ft/VMS is based on the organic molecules contain specific bonds and functional groups that vibrates independently when submitted to the infrared (IR) light. When the energy or frequency of IR meets any vibrational frequency of molecules in the sample, absorption occurs.…”