PMID- 28759851 OWN - NLM STAT- MEDLINE DCOM- 20180813 LR - 20180813 IS - 1873-3557 (Electronic) IS - 1386-1425 (Linking) VI - 188 DP - 2018 Jan 5 TI - Relationship of carbohydrates and lignin molecular structure spectral profiles to nutrient profile in newly developed oats cultivars and barley grain. PG - 495-506 LID - S1386-1425(17)30590-5 [pii] LID - 10.1016/j.saa.2017.07.042 [doi] AB - The objectives of this study were to quantify the chemical profile and the magnitude of differences in the oat and barley grain varieties developed by Crop Development Centre (CDC) in terms of Cornell Net Carbohydrate Protein System (CNCPS) carbohydrate sub-fractions: CA4 (sugars), CB1 (starch), CB2 (soluble fibre), CB3 (available neutral detergent fibre - NDF), and CC (unavailable carbohydrate); to estimate the energy values; to detect the lignin and carbohydrate (CHO) molecular structure profiles in CDC Nasser and CDC Seabiscuit oat and CDC Meredith barley grains by using Fourier transform infrared attenuated total reflectance (FTIR-ATR); to develop a model to predict nutrient supply based on CHO molecular profile. Results showed that NDF, ADF and CHO were greater (P<0.05) in oat than in barley. The starch content was greater (P<0.05) in barley than in oat. The CDC Meredith showed greater total rumen degradable carbohydrate (RDC), intestinal digestible fraction carbohydrate (FC) and lower total rumen undegradable carbohydrate (RUC). However, the estimated milk production did not differ for CDC Nasser oat and CDC Meredith barley. Lignin peak area and peak height did not differ (P>0.05) for oat and barley grains as well as non-structural CHO. However, cellulosic compounds peak area and height were greater (P<0.05) in oat than barley grains. Multiple regressions were determined to predict nutrient supply by using lignin and CHO molecular profiles. It was concluded that although there were some differences between oat and barley grains, CDC Nasser and CDC Meredith presented similarities related to chemical and molecular profiles, indicating that CDC Meredith barley could be replaced for CDC Nasser as ruminant feed. The FTIR was able to identify functional groups related to CHO molecular spectral in oat and barley grains and FTIR-ATR results could be used to predict nutrient supply in ruminant livestock systems. CI - Copyright (c) 2017. Published by Elsevier B.V. FAU - Prates, Luciana Louzada AU - Prates LL AD - College of Agriculture and Bioresources, Department of Animal and Poultry Science, University of Saskatchewan, 51 Campus Drive, Saskatoon, SK S7N 5A8, Canada. Electronic address: peqiang.yu@usask.ca. FAU - Refat, Basim AU - Refat B AD - College of Agriculture and Bioresources, Department of Animal and Poultry Science, University of Saskatchewan, 51 Campus Drive, Saskatoon, SK S7N 5A8, Canada. FAU - Lei, Yaogeng AU - Lei Y AD - College of Agriculture and Bioresources, Department of Animal and Poultry Science, University of Saskatchewan, 51 Campus Drive, Saskatoon, SK S7N 5A8, Canada. FAU - Louzada-Prates, Mariana AU - Louzada-Prates M AD - Department of Nutrition, Universidade Federal de Vicosa, Campus Universitario, Vicosa, MG 365700-000, Brazil. FAU - Yu, Peiqiang AU - Yu P AD - College of Agriculture and Bioresources, Department of Animal and Poultry Science, University of Saskatchewan, 51 Campus Drive, Saskatoon, SK S7N 5A8, Canada. LA - eng PT - Journal Article DEP - 20170724 PL - England TA - Spectrochim Acta A Mol Biomol Spectrosc JT - Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy JID - 9602533 RN - 0 (Carbohydrates) RN - 9005-53-2 (Lignin) SB - IM MH - Avena/*chemistry MH - Carbohydrates/*chemistry MH - Edible Grain/*chemistry MH - Hordeum/*chemistry MH - Lignin/*chemistry MH - Multivariate Analysis OTO - NOTNLM OT - CNCPS OT - Digestibility OT - Fourier-transform infrared spectroscopy OT - Molecular chemistry EDAT- 2017/08/02 06:00 MHDA- 2018/08/14 06:00 CRDT- 2017/08/01 06:00 PHST- 2016/10/14 00:00 [received] PHST- 2017/07/18 00:00 [revised] PHST- 2017/07/20 00:00 [accepted] PHST- 2017/08/02 06:00 [pubmed] PHST- 2018/08/14 06:00 [medline] PHST- 2017/08/01 06:00 [entrez] AID - S1386-1425(17)30590-5 [pii] AID - 10.1016/j.saa.2017.07.042 [doi] PST - ppublish SO - Spectrochim Acta A Mol Biomol Spectrosc. 2018 Jan 5;188:495-506. doi: 10.1016/j.saa.2017.07.042. Epub 2017 Jul 24.