New degradable polyesters from deoxycholic acid and oligo(ethylene glycol)s

Stanciu, Magdalena Cristina; Nichifor, Marieta

doi:10.1002/pi.4414

Cited by 8 publications

(5 citation statements)

References 28 publications

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“…For example, in Figure b, the correlation of ethylene-glycol (OEG) chains is higher than that of ordinary alkyl chains, indicating a stronger relationship. The introduction of the OEG group can increase the glass transition temperature ( T g ) of the polymer, improving its stability. , Similarly, in Figure a, fluoroalkyl chains show a higher correlation compared to ordinary alkyl chains. The presence of alkyl fluoride chain leads to self-assembly effects, enhancing the crystalline regularity of polymer molecules …”

Section: Resultsmentioning

confidence: 87%

Polymer-Unit Graph: Advancing Interpretability in Graph Neural Network Machine Learning for Organic Polymer Semiconductor Materials

Zhang,

Sheng,

Liu

et al. 2024

J. Chem. Theory Comput.

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The graph representation of complex materials plays a crucial role in the field of inorganic and organic materials investigations for developing data-centric materials science, such as those using graph neural networks (GNNs). However, the currently prevalent GNN models are primarily employed for investigating periodic crystals and organic small molecule data, yet they still encounter challenges in terms of interpretability and computational efficiency when applied to polymer monomers and organic macromolecules data. There is still a lack of graph representation of organic polymers and macromolecules specifically tailored for GNN models to explore the structural characteristics. The Polymer-unit Graph, a novel coarse-grained graph representation method introduced in study, is dedicated to expressing and analyzing polymers and macromolecules. By incorporating the Polymer-unit Graph into the GNN models and analyzing the organic semiconductor (OSC) materials database, it becomes possible to uncover intricate structure−property relationships involving branched-chain engineering, fluoridation substitution, and donor− acceptor combination effects on the elementary structure of OSC polymers. Furthermore, the Polymer-unit Graph enables visualizing the relationship between target properties and polymer units while reducing training time by an impressive 98% and minimizing molecular graph representation models. In conclusion, the Polymer-unit Graph successfully integrates the concept of Polymer-unit into the field of GNNs, enabling more accurate analysis and understanding of organic polymers and macromolecules.

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Section: Resultsmentioning

confidence: 87%

Polymer-Unit Graph: Advancing Interpretability in Graph Neural Network Machine Learning for Organic Polymer Semiconductor Materials

Zhang,

Sheng,

Liu

et al. 2024

J. Chem. Theory Comput.

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“…The lithocholic acid derivative was synthesized by a procedure described in detail elsewhere [28][29][30]. Briefly, LCA (10 g, 0.0266 mol) and succinic anhydride (2.91 g, 0.029 mol) were dissolved in 100 mL dry CHCl 3 .…”

Section: Synthesis Of 3α-(succinoyloxy)-5β-cholan-24-oic Acid (Sc-lca)mentioning

confidence: 99%

New biocompatible amphiphilic diblock copolymer based on dextran

Stanciu¹,

Nichifor²

2015

European Polymer Journal

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“…[2][3][4] This easily available and low-cost chemical, thanks to its intrinsic biodegradability, biocompatibility and renewability combined with the easy modifiability of the hydroxyl and carboxyl groups and the stability of steroid skeleton, was chosen by many researchers to design and synthesize new cholic acid-containing oligomeric or polymeric materials. [5,6] Various types of such polymers were produced in the last two decades: in several of these, the CAs were part of the main chain, [7][8][9][10] while in others, the CAs were connected as pendants [11][12][13] or, more recently, as the core of star-shaped polymers. [14][15][16][17][18][19] New star-shaped polymers have attracted the attention of scientists for many years in virtue of their unique physicochemical properties.…”

Section: Introductionmentioning

confidence: 99%

Novel tri- and tetrafunctional cholic acid-based initiators for the synthesis of star-shaped poly(L-lactide)s

Donvito

Fantin

Fogagnolo

et al. 2016

Designed Monomers and Polymers

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In this investigation, two novel multifunctional initiators for ring-opening polymerization were synthesized in three steps starting from cholic acid. Thus, cholic acid (1a) and its methyl ester (1b) were quantitatively transformed, via solvent-free reaction with succinic anhydride, to the corresponding 3, 7, 12-tri-hemisuccinate derivatives (3a-b). The polyacidic compounds (3a-b) were treated with thionyl chloride affording the corresponding acyl chlorides 4a-b which, in turn, were reacted with ethylene glycol to give the derivatives 2a-b having three and four primary alcohol end groups. These compounds, fully characterized by 1 H, 13C NMR and mass spectrometry, have been assessed as initiators in the ring-opening polymerization of L-lactide using stannous octanoate as catalyst. The resulting three-and four-armed star-shaped poly(L-lactide)s, which were characterized by 1 H NMR, SEC, DSC and TGA analysis, were amorphous, and their glass transition temperatures ranged from 13.7 to 36.5 °C. Additionally, some cholic acid-based star-shaped polylactic structures recently published have been critically reconsidered showing that these molecules, described as star polymers, were actually linear polymers.

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New degradable polyesters from deoxycholic acid and oligo(ethylene glycol)s

Cited by 8 publications

References 28 publications

Polymer-Unit Graph: Advancing Interpretability in Graph Neural Network Machine Learning for Organic Polymer Semiconductor Materials

Polymer-Unit Graph: Advancing Interpretability in Graph Neural Network Machine Learning for Organic Polymer Semiconductor Materials

New biocompatible amphiphilic diblock copolymer based on dextran

Novel tri- and tetrafunctional cholic acid-based initiators for the synthesis of star-shaped poly(L-lactide)s

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