FTIR spectral properties affected by OM-cation interactions

2020 ◽  
Author(s):  
Ruth Ellerbrock ◽  
Horst H. Gerke
Keyword(s):  
Functional Groups ◽  
Bonding Strength ◽  
Ftir Spectra ◽  
Correct Interpretation ◽  
Interaction Solutions ◽  
Chia Seed ◽  
Freeze Dried ◽  
Similar Range ◽  
Wavenumber Region ◽  
Seed Mucilage

<p>Soil organic matter (OM) interacts with cations like Ca by using C=O and OH functional groups. Such interactions are known to protect soil OM against decomposition. This process affects the bonding strength of functional groups. Changes in bonding strength are assumed to shift the wavenumber region of OH and C=O absorption band maxima in Fourier transform infrared (FTIR) spectra. The aim is to analyze the extent of such shifts to determine presence and strength of OM–cation interaction. Solutions of PGA and Chia seed mucilage were mixed at different ratios with CaCl<sub>2</sub> solution. The mixtures were freeze dried. FTIR spectra of PGA–Ca, and mucilage-Ca mixtures indicate that the OH band is affected by the presence of Ca. However, the C=O band maximum and the CH/C=O ratio were not affected. For the PGA–Ca and mucilage-Ca mixtures the shift in OH band maxima relative to PGA and mucilage, respectively, increases with Ca content. Such shifts in OH band maxima are in a similar range as the ones observed for the outer compared to inner regions of an intact chia seed mucilage droplet. The results suggest that it is necessary to know the relation between OM-cation interactions and band shifts for the correct interpretation of the FTIR spectra of soil and rhizosphere samples.</p>

scholarly journals Synthesis of MFe2O4/CNS (M = Zn, Ni, Mn) Composites Derived from Rice Husk by the Hydrothermal-Microwave Method for Remediation of Paddy Fields

Processes ◽  
2021 ◽  
Vol 9 (8) ◽  
pp. 1349
Author(s):  
Tutik Setianingsih ◽  
Bambang Susilo ◽  
Siti Mutrofin ◽  
Bambang Ismuyanto ◽  
Andreas Novan Endaryana ◽  
...  
Keyword(s):  
Functional Groups ◽  
Rice Husk ◽  
Research Work ◽  
Ftir Spectra ◽  
Paddy Fields ◽  
Microwave Method ◽  
Pesticide Degradation ◽  
X Ray ◽  
H2o2 Solution ◽  
Carbamate Pesticide

In this research work, MFe2O4/CNS was prepared using the hydrothermal–microwave method. The influence of cations (M) toward functional groups of composites and their performance in pesticide degradation were studied. Rice husk was pyrolyzed hydrothermally (200 °C, 6 h) and by microwave (800 W, 40 min). Each product was mixed with MCl2 (Zn, Ni, Mn), FeCl3, KOH, and water, and calcined (600 °C, 15 min) to obtain a composite. Characterization by XRD confirmed the MFe2O4/CNS structure. The FTIR spectra of the composites showed different band sharpness related to C-O and M-O. A mixture of dried paddy farm soil, composite, BPMC (buthylphenylmethyl carbamate) pesticide solution (0.25%), and H2O2 solution (0.15%) was kept under dark conditions for 48 h. The solution above the soil was filtered and measured with a UV-Vis spectrophotometer at 217 nm. Applications without the composite and composite–H2O2 were also conducted. The results reveal that dark BPMC degradation with the composite was 7.5 times larger than that without the composite, and 2.9 times larger than that without the composite–H2O2. There were no significantly different FTIR spectra of the soil, soil–BPMC, soil–BPMC-H2O2, and soil–BPMC-H2O2 composite and no significantly different X-ray diffractograms between the soil after drying and soil after application for pesticide degradation using the composite.

Preparation and Application of Modified Soybean Protein Adhesives

2010 ◽  
Vol 139-141 ◽  
pp. 706-709
Author(s):  
Zi Tao Sang ◽  
Shi Feng Zhang ◽  
Qiang Gao ◽  
Jian Zhang Li
Keyword(s):  
Sodium Hydroxide ◽  
Bonding Strength ◽  
Phenol Formaldehyde ◽  
Soybean Protein ◽  
Ftir Spectra ◽  
Absorption Peak ◽  
Type I ◽  
Curing Process ◽  
Protein Adhesives

In this study, a sodium hydroxide modified soybean protein adhesive (NSP adhesive) was prepared and mixed with phenol-formaldehyde (PF) resin in a ratio of 7:3 to form a compound adhesive (NSPF adhesive), and three-layer plywoods were prepared using the NSP adhesive and the NSPF adhesive. In order to understand the reactions between SP and PF resin during the curing process of NSPF adhesive, the SEM and FTIR spectra were employed to character the adhesives and the bonding strength of the plywoods was measured. The results showed that the bonding strength of the poplar plywood prepared with NSPF reached 1.00 MPa, and met type I plywood requirement in GB/T 17657-1999. There was new absorption peak appear at 1390 cm-1 in the FTIR spectra of NSPF adhesive, indicating that there were -NHCH2- structures generate in NSPF during the curing process in this research.

scholarly journals Functional Group Identification for FTIR Spectra Using Image-Based Machine Learning Models

2021 ◽  
Author(s):  
Abigail Enders ◽  
Nicole North ◽  
Chase Fensore ◽  
Juan Velez-Alvarez ◽  
Heather Allen
Keyword(s):  
Machine Learning ◽  
Gas Phase ◽  
Functional Groups ◽  
Functional Group ◽  
Spectroscopic Method ◽  
Group Identification ◽  
Spectroscopic Technique ◽  
Ftir Spectra ◽  
Spectral Interpretation ◽  
Time Required

<p>Fourier Transform Infrared Spectroscopy (FTIR) is a ubiquitous spectroscopic technique. Spectral interpretation is a time-consuming process, but it yields important information about functional groups present in compounds and in complex substances. We develop a generalizable model via a machine learning (ML) algorithm using Convolutional Neural Networks (CNNs) to identify the presence of functional groups in gas phase FTIR spectra. The ML models will reduce the amount of time required to analyze functional groups and facilitate interpretation of FTIR spectra. Through web scraping, we acquire intensity-frequency data from 8728 gas phase organic molecules within the NIST spectral database and transform the data into images. We successfully train models for 15 of the most common organic functional groups, which we then determine via identification from previously untrained spectra. These models serve to expand the application of FTIR measurements for facile analysis of organic samples. Our approach was done such that we have broad functional group models that inference in tandem to provide full interpretation of a spectrum. We present the first implementation of ML using image-based CNNs for predicting functional groups from a spectroscopic method.</p>

scholarly journals Analysis of functional groups in atmospheric aerosols by infrared spectroscopy: method development for probabilistic modeling of organic carbon and organic matter concentrations

2020 ◽  
Vol 13 (3) ◽  
pp. 1517-1538
Author(s):  
Charlotte Bürki ◽  
Matteo Reggente ◽  
Ann M. Dillner ◽  
Jenny L. Hand ◽  
Stephanie L. Shaw ◽  
...  
Keyword(s):  
Cluster Analysis ◽  
Organic Matter ◽  
Organic Carbon ◽  
Functional Groups ◽  
Method Development ◽  
Estimation Method ◽  
Chemical Species ◽  
Monitoring Network ◽  
Ftir Spectra ◽  
Absorption Bands

Abstract. The Fourier transform infrared (FTIR) spectra of fine particulate matter (PM2.5) contain many important absorption bands relevant for characterizing organic matter (OM) and obtaining organic matter to organic carbon (OM∕OC) ratios. However, extracting this information quantitatively – accounting for overlapping absorption bands and relating absorption to molar abundance – and furthermore relating abundances of functional groups to that of carbon atoms poses several challenges. In this work, we define a set of parameters that model these relationships and apply a probabilistic framework to identify values consistent with collocated field measurements of thermal–optical reflectance organic carbon (TOR OC). Parameter values are characterized for various sample types identified by cluster analysis of sample FTIR spectra, which are available for 17 sites in the Interagency Monitoring of Protected Visual Environments (IMPROVE) monitoring network (7 sites in 2011 and 10 additional sites in 2013). The cluster analysis appears to separate samples according to predominant influence by dust, residential wood burning, wildfire, urban sources, and biogenic aerosols. Functional groups calibrations of aliphatic CH, alcohol COH, carboxylic acid COOH, carboxylate COO, and amine NH2 combined together reproduce TOR OC concentrations with reasonable agreement (r=0.96 for 2474 samples) and provide OM∕OC values generally consistent with our current best estimate of ambient OC. The mean OM∕OC ratios corresponding to sample types determined from cluster analysis range between 1.4 and 2.0, though ratios for individual samples exhibit a larger range. Trends in OM∕OC for sites aggregated by region or year are compared with another regression approach for estimating OM∕OC ratios from a mass closure equation of the major chemical species contributing to PM fine mass. Differences in OM∕OC estimates are observed according to estimation method and are explained through the sample types determined from spectral profiles of the PM.

scholarly journals Cold extraction method of chia seed mucilage (Salvia hispanica L.): effect on yield and rheological behavior

2017 ◽  
Vol 55 (2) ◽  
pp. 457-466 ◽  
Author(s):  
Lucas Silveira Tavares ◽  
Luciana Affonso Junqueira ◽  
Ívina Catarina de Oliveira Guimarães ◽  
Jaime Vilela de Resende
Keyword(s):  
Rheological Behavior ◽  
Extraction Method ◽  
Salvia Hispanica ◽  
Chia Seed ◽  
Effect On Yield ◽  
Salvia Hispanica L ◽  
Seed Mucilage

Analysis and Application of Oxalic Acid Modified Sodium Silicate Binder

2012 ◽  
Vol 573-574 ◽  
pp. 31-34
Author(s):  
Li Ge Wang ◽  
Fan Zhang ◽  
Yang Zhang ◽  
Long Zhou ◽  
En Ze Wang
Keyword(s):  
Compressive Strength ◽  
Oxalic Acid ◽  
Chemical Modification ◽  
Functional Groups ◽  
Sodium Silicate ◽  
Bonding Strength ◽  
Colloidal Particle ◽  
Particle Surface ◽  
Growing Up ◽  
New Type

A new type of pellet binder was prepared with oxalic acid as sodium silicate chemical modification agent in this paper, the compressive strength of which improved obviously. It improved from 0.6 KN/a to 2.4 KN/a, when the amount of oxalic acid is 8%. Meanwhile, carboxyl introduced at 390°C started carbonization decomposition, and pelletizing properties wouldn't be affected without new pellet impurity. The analysis shows that adding oxalic acid introduces carboxyl only in the binder, but doesn't generate new functional groups; Polymer layer formed by carboxyl adsorption on sodium silicate gel particle surface limits colloidal particle growing up, and plays roles of refining colloidal particle and improving the bonding strength.

Adsorption ability of cell wall (CW) components in roots of Tea Plant (Camellia sinensisL.) to Pband FTIR spectra of their functional groups

2015 ◽  
Vol 35 (6) ◽  
Author(s):  
王梦 WA NG Meng ◽  
段德超 DUAN Dechao ◽  
徐辰 XU Chen ◽  
于明革 YU Mingge ◽  
施积炎 SHI Jiyan
Keyword(s):  
Cell Wall ◽  
Functional Groups ◽  
Tea Plant ◽  
Ftir Spectra ◽  
Adsorption Ability

Surface modification of SiO2 nanoparticles and its impact on the properties of PES-based hollow fiber membrane

RSC Advances ◽  
2015 ◽  
Vol 5 (72) ◽  
pp. 58644-58654 ◽  
Author(s):  
Mimi Suliza Muhamad ◽  
Mohd Razman Salim ◽  
Woei-Jye Lau
Keyword(s):  
Surface Modification ◽  
Functional Groups ◽  
Hollow Fiber ◽  
Hollow Fiber Membrane ◽  
Sio2 Nanoparticles ◽  
Ftir Spectra ◽  
Fiber Membrane ◽  
Surface Modified

The FTIR spectra for SiO2-SDS nanoparticles clearly show the detection of SDS functional groups in surface-modified SiO2 and confirm the successful modification of the nanoparticles surface.

scholarly journals Application of FTIR-ATR spectroscopy and chemometrics for the detection and quantification of lard oil in bovine milk fat

Food Research ◽  
2020 ◽  
Vol 4 (5) ◽  
pp. 1732-1738 ◽  
Author(s):  
A. Windarsih ◽  
Irnawati ◽  
A. Rohman
Keyword(s):  
Discriminant Analysis ◽  
Milk Fat ◽  
Bovine Milk ◽  
Accurate Method ◽  
Ftir Spectra ◽  
Partial Least Square ◽  
Least Square ◽  
Atr Spectroscopy ◽  
Wavenumber Region ◽  
Detection And Quantification

Bovine milk fat (BMF) is considered as high nutritional fat because it contains fatty acids, lipid derivatives, and fat-soluble vitamins such as vitamin A, D, E, and K which are beneficial for human health. As a consequence, the price of BMF is higher among other fats. Fraudulent practices such as substitution or replacement with a lower price of fat and oil such as lard oil (LO) are potential to get more economic benefits. Moreover, lard is a non-halal substance which is prohibited to consume especially for Muslim. Therefore, the development of a rapid and accurate method for authentication of BMF from LO is highly required. The objective of this study was to develop Fourier transform infrared (FTIR) spectroscopy and chemometrics of multivariate analysis for detection and quantification of LO in binary mixtures with BMF. Samples were prepared by mixing BMF with adulterant of LO in the concentration range of 0-100% of LO. Each sample was scanned using FTIR attenuated total reflectance (ATR) spectroscopy in three replicates at the wavenumber region of 4000-650 cm-1 . The FTIR spectra of BMF and LO has a different pattern at the wavenumber region of 1510-900 cm-1 . Qualitative chemometrics analysis was performed using discriminant analysis (DA), meanwhile, quantitative chemometrics analysis was carried out using partial least square (PLS) and principal component regression (PCR). Results showed that discriminant analysis using normal FTIR spectra at the wavenumber of 3098-669 cm-1 perfectly classified authentic BMF and adulterated BMF with LO. In addition, PLS calibration of FTIR spectra at the wavenumber combination of 3033-2770 cm-1 and 1510-692 cm-1 using first derivative spectra was chosen for quantification of LO in BMF with a high value of R2 (>0.99) in calibration and validation models and lower RMSEC (0.631) and RMSEP (1.94). It can be concluded that FTIR spectroscopy coupled with chemometrics of discriminant analysis and partial least square considered as a rapid and accurate method for the detection and quantification of lard oil in bovine milk fat.

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