Calculation and Analysis of the Molecular Weight Characteristics of the Polymer in the Synthesis of Butyl Rubber

The article compiled a mathematical model of the cationic copolymerization of isobutylene and isoprene using a catalyst AlCl3 in a CH3Cl solution, including the reactions of initiation, chain growth, chain transfer to the monomer, and chain termination. The molecular weight characteristics of butyl rubber synthesized in methyl chloride using a catalytic system based on aluminum trichloride have been investigated. Relationships are obtained for calculating the moments of the molecular weight characteristics of butyl rubber. The effect of the concentration of the initiator on the conversion versus time was investigated.

Microwave-assisted in situ ring-opening polymerization of ε-caprolactone in the presence of modified halloysite nanotubes loaded with stannous chloride

For the composite catalyst, there existed synergetic catalytic effect between the hydroxyl groups and the metal center. All chain growth simultaneously proceeded between the layers or on the surface of HNTs, conducting the in situ ROP.

Chain-growth Click Copolymerization for Synthesis of Branched Copolymers with Tunable Branching Density

In this work, we reported a facile synthesis of (hyper)branched copolymers with tunable degree of branching (DB) via one-pot chain-growth copper-catalyzed azide-alkyne cycloaddition (CuAAC) reactions. By using a tri-azido core...

Effects of Monomer Composition of Urethane Methacrylate Based Resins on the C=C Degree of Conversion, Residual Monomer Content and Mechanical Properties

(1) Background: This study investigated the influence of Bis-GMA, TEGDMA, UDMA, and two different polyethylene glycol (PEG)-containing, UDMO-based co-monomers on the Young’s modulus and flexural strength, degree of methacrylate C=C double bond conversion and residual monomer elution of experimental dental resins. (2) Methods: Urethane methacrylate-based monomer was synthesised via a radical chain growth polymerization mechanism using PEG in order to improve the mechanical properties. Dental resins were formulated using Bis-GMA, UDMA, or UDMO as base monomers combined with TEGDMA as a dilution monomer and DMAEM + CQ as the photo-initiator system. Degree of conversion (DC), mechanical properties, and residual monomer content of light-activated methacrylate resin formulations were evaluated and statistically analysed by ANOVA and a Tukey’s test. (3) Results: PEG-containing UDMO resins had lower Young’s modulus and elastic strength than UDMA-derived resin for all irradiation times. The highest DC (67,418%) was observed for the PEG-containing UDMO-based resin formulation when light cured for 40 s. For all samples, DC increased with the photo-polymerization time. The amount of residual monomer decreased after increasing the light-curing period from 20 to 40 s, resin with UDMO content 0.01 mol of PEG having the smallest amount of free eluted monomer. (4) Conclusions: A strong structure–property relationship exists in photo-cured dimethacrylate-based dental resins. The time and quantity of the photochemical initiation system can influence the physical–mechanical properties of the resins but also the monomers in their composition.

Suzuki–Miyaura Catalyst-Transfer Polycondensation of Triolborate-Type Carbazole Monomers

Herein, we report the Suzuki–Miyaura catalyst-transfer polycondensation (SCTP) of triolborate-type carbazole monomers, i.e., potassium 3-(6-bromo-9-(2-octyldodecyl)-9H-carbazole-2-yl)triolborate (M1) and potassium 2-(7-bromo-9-(2-octyldodecyl)-9H-carbazole-2-yl) triolborate (M2), as an efficient and versatile approach for precisely synthesizing poly[9-(2-octyldodecyl)-3,6-carbazole] (3,6-PCz) and poly[9-(2-octyldodecyl)-2,7-carbazole] (2,7-PCz), respectively. The SCTP of triolborate-type carbazole monomers was performed in a mixture of THF/H2O using an initiating system consisted of 4-iodobenzyl alcohol, Pd2(dba)3•CHCl3, and t-Bu3P. In the SCTP of M1, cyclic by-product formation was confirmed, as reported for the corresponding pinacolboronate-type monomer. By optimizing the reaction temperature and reaction time, we successfully synthesized linear end-functionalized 3,6-PCz for the first time. The SCTP of M2 proceeded with almost no side reaction, yielding 2,7-PCz with a functional initiator residue at the α-chain end. Kinetic and block copolymerization experiments demonstrated that the SCTP of M2 proceeded in a chain-growth and controlled/living polymerization manner. This is a novel study on the synthesis of 2,7-PCz via SCTP. By taking advantage of the well-controlled nature of this polymerization system, we demonstrated the synthesis of high-molecular-weight 2,7-PCzs (Mn = 5–38 kg mol−1) with a relatively narrow ÐM (1.35–1.48). Furthermore, we successfully synthesized fluorene/carbazole copolymers as well as 2,7-PCz-containing diblock copolymers, demonstrating the versatility of the present polymerization system as a novel synthetic strategy for well-defined polycarbazole-based materials.

Global Structure of the Intrinsically Disordered Protein Tau Emerges from its Local Structure

The paradigmatic disordered protein tau plays an important role in neuronal function and neurodegenerative diseases. To disentangle the factors controlling the balance between functional and disease-associated conformational states, we build a structural ensemble of the tau K18 fragment containing the four pseudorepeat domains involved in both microtubule binding and amyloid fibril formation. We assemble 129-residue-long tau K18 chains at atomic resolution from an extensive fragment library constructed with molecular dynamics simulations. We introduce a reweighted hierarchical chain growth (RHCG) algorithm that integrates experimental data reporting on the local structure into the assembly process in a systematic manner. By combining Bayesian ensemble refinement with importance sampling, we obtain well-defined ensembles and overcome the problem of exponentially varying weights in the integrative modeling of long-chain polymeric molecules. The resulting tau K18 ensembles capture nuclear magnetic resonance (NMR) chemical shift and J-coupling measurements. Without further fitting, we achieve excellent agreement with measurements of NMR residual dipolar couplings. The good agreement with experimental measures of global structures such as single-molecule Förster resonance energy transfer (FRET) efficiencies is improved further by ensemble refinement. By comparing wild-type and mutant ensembles, we show that pathogenic single-point P301 mutations shift the population from the turn-like conformations of the functional microtubule-bound state to the extended conformations of disease-associated tau fibrils. RHCG thus provides us with an atomically resolved view of the population equilibrium between functional and aggregation-prone states of tau K18, and demonstrates that global structural characteristics of this intrinsically disordered protein emerge from its local structure.

A Literature Review on Supramolecular Devices

Supramolecular device includes hydrogel and polymer manufactured by gelation or polymerization. Hydrogels are produced via chemical and physical gelation. Polymers are synthesized through photopolymerization, step-growth, and chain-growth polymerization. The supramolecular device possesses as the host to entrap the guest molecules via chemical, physical and physical-chemical microencapsulation. The present review article discusses the microencapsulation techniques, mechanism of gelation or polymerization, and different gelation or polymerization methods with given examples, such as gelatin, chitosan, and polyvinyl alcohol (PVA), and polyamide to act as the hosts for encapsulation.