Probing Silica—Organic Hybrid Materials Using Small Probes: Simulation of Adsorption Equilibria Influenced by Cooperativity Effects

Panteleimonov, A. V.; Tkachenko, Oleg; Baraban, Andrey; Benvenutti, Edílson V.; Gushikem, Yoshitaka; Kholin, Yu. V.

doi:10.1260/0263-6174.32.4.305

Cited by 7 publications

(5 citation statements)

References 60 publications

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“…When some functional groups are fully or partially blocked, a lignin surface with fewer active adsorption centers is obtained. This also increases the average distance between the adsorption centers and reduces cooperativity . Considering this, eq can be modified for adsorption to such lignin samples: θ false( mod nobreak0em.25em⁡ Ind false) = ∑ a i × χ i false( mod Ind false) where θ(modInd) is the ration of the extrapolated adsorption capacities of modified and initial lignin samples, a i is the relative contribution efficiency ratio of each functional group type, i represents the functional group (−OH, PhOH or −COOH), and χ i (modInd) is the fraction of free functional groups (Figure ) in the modified Indulin-AT.…”

Section: Resultsmentioning

confidence: 99%

“…This also increases the average distance between the adsorption centers and reduces cooperativity. 35 Considering this, eq 16 can be modified for adsorption to such lignin samples: where θ(modInd) is the ration of the extrapolated adsorption capacities of modified and initial lignin samples, a i is the relative contribution efficiency ratio of each functional group type, i represents the functional group (−OH, PhOH or −COOH), and χ i (modInd) is the fraction of free functional groups ( Figure 1 ) in the modified Indulin-AT. To estimate a i , eq 17 was solved for Ind-Me (θ = 0.44), Ind-Ph (θ = 0.30), and Ind-Ac (θ = 0.04).…”

Section: Resultsmentioning

confidence: 99%

“…This also increases the average distance between the adsorption centers and reduces cooperativity. 35 Considering this, eq 16 can be modified for adsorption to such lignin samples:…”

Section: Characterization Of Lignin Samples With Adsorbed Mbmentioning

confidence: 99%

See 2 more Smart Citations

Unveiling the Nature of lignin’s Interaction with Molecules: A Mechanistic Understanding of Adsorption of Methylene Blue Dye

Tkachenko,

Diment,

Rigo

et al. 2024

Biomacromolecules

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The valorization of lignin into advanced materials for water and soil remediation is experiencing a surge in demand. However, it is imperative that material research and manufacturing be sustainable to prevent exacerbating environmental issues. Meeting these requirements necessitates a deeper understanding of the role of lignin's functional groups in attracting targeted species. This research delves into the interaction mechanisms between lignin and organic molecules, using the adsorption of the cationic dye Methylene Blue (MB + ) as a case study. Herein, we aim to quantitatively estimate the contribution of different interaction types to the overall adsorption process. While carbonyl groups were found to have no significant role in attraction, carboxylic groups (−COOH) exhibited significantly lower adsorption compared with hydroxyl groups (−OH). Through alternately blocking aliphatic and phenolic −OH groups, we determined that 61% of the adsorption occurred through hydrogen bonding and 38% via electrostatic interactions. Performance studies of modified lignin along with spectroscopic methods (XPS, FTIR) confirmed the negligible role of π−π interactions in adsorption. This study offers fundamental insights into the mechanistic aspects of MB adsorption on lignin, laying the groundwork for potential modifications to enhance the performance of lignin-based adsorbents. The findings underscore the importance of hydroxyl groups and provide a roadmap for future studies examining the influence of steric factors and interactions with other organic molecules.

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Section: Resultsmentioning

confidence: 99%

Section: Resultsmentioning

confidence: 99%

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Unveiling the Nature of lignin’s Interaction with Molecules: A Mechanistic Understanding of Adsorption of Methylene Blue Dye

Tkachenko,

Diment,

Rigo

et al. 2024

Biomacromolecules

Self Cite

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show abstract

Section: The Mechanism Of Mb Binding To the Lignin Surfacementioning

confidence: 99%

Unveiling the nature of lignin’s interaction with molecules: a mechanistic understanding of adsorption of complex organic molecules

Tkachenko,

Diment,

Rigo

et al. 2024

Preprint

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The valorization of lignin into advanced materials for water and soil remediation is experiencing a surge in demand. However, it is imperative that material research and manufacturing are sustainable to prevent exacerbating environmental issues. Meeting these requirements necessitates a deeper understanding of the role of lignin’s functional groups in attracting targeted species. This research delves into the interaction mechanisms between lignin and organic molecules, using the adsorption of the cationic dye Methylene Blue (MB+) as a case study. Herein, we aim to quantitatively estimate the contribution of different interaction types in the overall adsorption process. While carbonyl groups were found to have no significant role in attraction, carboxylic groups (–COOH) exhibited significantly lower adsorption compared to hydroxyl groups (–OH). Through alternately blocking aliphatic and phenolic –OH groups, we determined that 61% of the adsorption occurred through H-bonding and 38% via electrostatic interactions. Performance studies of modified lignin, along with spectroscopic methods (XPS, FTIR) confirmed the negligible role of π-π interactions in adsorption. This study offers fundamental insights into the mechanistic aspects of MB adsorption on lignin, laying the groundwork for potential modifications to enhance the performance of lignin-based adsorbents. The findings underscore the importance of hydroxyl groups and provide a roadmap for future studies examining the influence of steric factors and interactions with other organic molecules.

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“…3-Aminopropyltriethoxysilane (APTES) is a widely used agent for development of robust hydrophobic coatings on glass surface [1,2] and, in general, for obtaining of 3-(aminopropylsilyl)modified surfaces [3][4][5][6].…”

Section: Introductionmentioning

confidence: 99%

Synthesis of diethyl 2-{[3-(triethoxysilyl)propyl]amino}ethylphosphonate

2020

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Diethyl 2-{[3-(triethoxysilyl)propyl]amino}ethylphosphonate is promising reagent for the modification of silica surface and thus for the creation of chelate adsorbents for extraction of d‑metals ions from water media. Diethyl 2-{[3-(triethoxysilyl)propyl]amino}ethylphosphonate was synthesized by alkylation of 3-aminopropyltriethoxysilane (APTES) with diethyl vinylphosphonate under quick neat heating. The possible alternative approaches to the synthesis of this compound were investigated (alkylation of APTES and N-acetylAPTES) as well as behavior of APTES towards heating in absolute ethanol and THF. APTES was shown to be not stable in absolute ethanol, that is caused by polycondensation processes. Because of this fact, previously reported protocol of diethyl 2‑{[3‑(triethoxysilyl)propyl]amino}ethylphosphonate synthesis in ethanol turned to be impossible.

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Probing Silica—Organic Hybrid Materials Using Small Probes: Simulation of Adsorption Equilibria Influenced by Cooperativity Effects

Cited by 7 publications

References 60 publications

Unveiling the Nature of lignin’s Interaction with Molecules: A Mechanistic Understanding of Adsorption of Methylene Blue Dye

Unveiling the Nature of lignin’s Interaction with Molecules: A Mechanistic Understanding of Adsorption of Methylene Blue Dye

Unveiling the nature of lignin’s interaction with molecules: a mechanistic understanding of adsorption of complex organic molecules

Synthesis of diethyl 2-{[3-(triethoxysilyl)propyl]amino}ethylphosphonate

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