High pressure Raman spectra and DFT calculation of glyphosate

Holanda, R.O.; Silva, Cristiano B. da; Vasconcelos, Daniel Linhares Militão; Freire, Paulo

doi:10.1016/j.saa.2020.118745

Cited by 7 publications

(9 citation statements)

References 27 publications

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“…However, only PAA-GLP shows the band characteristic of the carbonyl group (CO), also observed in the spectrum for GLP, albeit shifted (Figure F). This shift may result from the GLP carboxyl group interaction with PAA, possibly suggesting the GLP binding by PAA, as reported elsewhere. ,,− …”

Section: Resultssupporting

confidence: 71%

“…Continuously, the absence of bands assigned to the H 2 C=CH– moiety vibrations (expected at ∼3100 cm –1 ) suggests efficient UV-FRP of AA and BAA. 63 − 65 In turn, in the range of 1000–1800 cm –1 ( Figure 2 E,F), a characteristic GLP stretching ν (CP) and ν (PO) vibration bands at ∼700–900 cm –1 as well as bending δ (P-OH) and rocking ρ (PO 2 ) vibration bands at ∼1000–1050 cm –1 are present in the GLP spectrum but are absent in the PAA-GLP spectrum. Possibly, this band shifts, affecting the band of the C–N bond vibration in PAA ( Figure 2 F, red spectrum).…”

Section: Resultsmentioning

confidence: 99%

“…Most likely, these differences indicate conformational changes resulting from upon PAA binding (encapsulation) of GLP. 63 − 65 Regarding the 1200–1500 cm –1 range, generally populated by bands assigned to the twisting τ (CH 2 ) (1200–1300 cm –1 ) and bending δ (CH 2 ) (1300–1500 cm –1 ) vibrations, the GLP-characteristic CH 2 group-assigned bands overlap corresponding bands in the PAA-GLP spectrum ( Figure 2 F), confirming a significant influence of GLP on the structural properties of PAA-GLP. Furthermore, in the 1500–1800 cm –1 range, both PAA and PAA-GLP spectra reveal bands assigned to ν (C=C) vibrations of free vinyl groups of AA or TMOS that avoided successful UV-FRP ( Figure 2 E).…”

Section: Resultsmentioning

confidence: 99%

“…This shift may result from the GLP carboxyl group interaction with PAA, possibly suggesting the GLP binding by PAA, as reported elsewhere. 30 , 31 , 63 − 65 …”

Section: Resultsmentioning

confidence: 99%

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In-Capillary Photodeposition of Glyphosate-Containing Polyacrylamide Nanometer-Thick Films

Mazuryk

Klepacka

Piechowska

et al. 2022

ACS Appl. Polym. Mater.

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The present research reports on in-water, site-specific photodeposition of glyphosate (GLP)-containing polyacrylamide (PAA-GLP) nanometer-thick films (nanofilms) on an inner surface of fused silica (fused quartz) microcapillaries presilanized with trimethoxy(octen-7yl)silane (TMOS). TMOS was chosen because of the vinyl group presence in its structure, enabling its participation in the (UV light)activated free-radical polymerization (UV-FRP) after its immobilization on a fused silica surface. The photodeposition was conducted in an aqueous (H 2 O/ACN; 3:1, v/v) solution, using UV-FRP (λ = 365 nm) of the acrylamide (AA) functional monomer, the N,N′-methylenebis(acrylamide) (BAA) cross-linking monomer, GLP, and the azobisisobutyronitrile (AIBN) UV-FRP initiator. Acetonitrile (ACN) was used as the porogen and the solvent to dissolve monomers and GLP. Because of the micrometric diameters of microcapillaries, the silanization and photodeposition procedures were first optimized on fused silica slides. The introduction of TMOS, as well as the formation of PAA and PAA-GLP nanofilms, was determined using atomic force microscopy (AFM), scanning electron microscopy with energy-dispersive X-ray (SEM−EDX) spectroscopy, and confocal micro-Raman spectroscopy. Particularly, AFM and SEM−EDX measurements determined nanofilms' thickness and GLP content, respectively, whereas in-depth confocal (micro-Raman spectroscopy)-assisted imaging of PAA-and PAA-GLP-coated microcapillary inner surfaces confirmed the successful photodeposition. Moreover, we examined the GLP impact on polymer gelation by monitoring hydration in a hydrogel and a dried powder PAA-GLP. Our study demonstrated the usefulness of the in-capillary micro-Raman spectroscopy imaging and in-depth profiling of GLP-encapsulated PAA nanofilms. In the future, our simple and inexpensive procedure will enable the fabrication of polymer-based microfluidic chemosensors or adsorptive-separating devices for GLP detection, determination, and degradation.

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Section: Resultssupporting

confidence: 71%

Section: Resultsmentioning

confidence: 99%

Section: Resultsmentioning

confidence: 99%

“…This shift may result from the GLP carboxyl group interaction with PAA, possibly suggesting the GLP binding by PAA, as reported elsewhere. 30 , 31 , 63 − 65 …”

Section: Resultsmentioning

confidence: 99%

See 2 more Smart Citations

In-Capillary Photodeposition of Glyphosate-Containing Polyacrylamide Nanometer-Thick Films

Mazuryk

Klepacka

Piechowska

et al. 2022

ACS Appl. Polym. Mater.

View full text Add to dashboard Cite

show abstract

“…[13][14][15] The final entry (PHOGLY04) is again an ambient temperature and pressure structure but features a unique polymorph in the space group P2 1 , obtained on using MnO 2 in the presence of H 2 SO 4 to oxidise N-(phosphonomethyl)iminodiacetic acid. 16 Glyphosate was recently studied to 6.2 GPa using high pressure Raman spectroscopy in the spectral range 45 to 3700 cm −1 by Holanda et al 17 two high pressure phase transitions were identified. The first transition was located at between 0.97 and 1.5 GPa and the second between 4.29 and 4.63 GPa.…”

Section: Introductionmentioning

confidence: 99%