Monomer Level Research Articles

Facilitating exciton dissociation in conjugated microporous polymers for photocatalytic degradation of tetracycline via a gradient N doping strategy

As a leading green wastewater treatment technology, organic semiconductor photocatalysis for tetracycline (TC) degradation is widely recognized but currently constrained by excessive exciton binding energies and rapid charge recombination. In this work, conjugated microporous polymers (CMPs) with five-membered heterocyclic ring have been fabricated by gradient doping of nitrogen at the monomer level. It demonstrates satisfactory photocatalytic performance, with thiadiazole introduced into the unit, achieving a TC removal rate of 95.6% within 30 min under visible light. The underlying origin of the preferable property lies in the lower exciton binding energy (Eb) with the assistance of the donor–acceptor (D-A) structure constructed by thiadiazole monomer and triazine skeleton. Density Functional Theory (DFT) calculations reveal that this five-membered heterocyclic structure can appropriately regulate the local charge distribution and increase the dipole moment, thus accelerating the migration dynamics of charge carriers in the degradation process. This study provides a novel insight into the modulation of polymer exciton Eb and enlightens the designation of metal-free photocatalysts based on antibiotic degradation.

Ubiquitin Carboxyl-Terminal Hydrolase L1 and Its Role in Parkinson's Disease.

Ubiquitin carboxyl-terminal hydrolase L1 (UCHL1), also known as Parkinson's disease protein 5, is a highly expressed protein in the brain. It plays an important role in the ubiquitin-proteasome system (UPS), where it acts as a deubiquitinase (DUB) enzyme. Being the smallest member of the UCH family of DUBs, it catalyzes the reaction of ubiquitin precursor processing and the cleavage of ubiquitinated protein remnants, thus maintaining the level of ubiquitin monomers in the brain cells. UCHL1 mutants, containing amino acid substitutions, influence catalytic activity and its aggregability. Some of them protect cells and transgenic mice in toxin-induced Parkinson's disease (PD) models. Studies of putative protein partners of UCHL1 revealed about sixty individual proteins located in all major compartments of the cell: nucleus, cytoplasm, endoplasmic reticulum, plasma membrane, mitochondria, and peroxisomes. These include proteins related to the development of PD, such as alpha-synuclein, amyloid-beta precursor protein, ubiquitin-protein ligase parkin, and heat shock proteins. In the context of the catalytic paradigm, the importance of these interactions is not clear. However, there is increasing understanding that UCHL1 exhibits various effects in a catalytically independent manner through protein-protein interactions. Since this protein represents up to 5% of the soluble protein in the brain, PD-related changes in its structure will have profound effects on the proteomes/interactomes in which it is involved. Growing evidence is accumulating that the role of UCHL1 in PD is obviously determined by a balance of canonic catalytic activity and numerous activity-independent protein-protein interactions, which still need better characterization.

Multimer Embedding Approach for Molecular Crystals up to Harmonic Vibrational Properties.

Accurate calculations of molecular crystals are crucial for drug design and crystal engineering. However, periodic high-level density functional calculations using hybrid functionals are often prohibitively expensive for the relevant systems. These expensive periodic calculations can be circumvented by the usage of embedding methods in which, for instance, the periodic calculation is only performed at a lower-cost level and then monomer energies and dimer interactions are replaced by those of the higher-level method. Herein, we extend such a multimer embedding approach to enable energy corrections for trimer interactions and the calculation of harmonic vibrational properties up to the dimer level. We evaluate this approach for the X23 benchmark set of molecular crystals by approximating a periodic hybrid density functional (PBE0+MBD) by embedding multimers into less expensive calculations using a generalized-gradient approximation functional (PBE+MBD). We show that trimer interactions are crucial for accurately approximating lattice energies within 1 kJ/mol and might also be needed for further improvement of lattice constants and hence cell volumes. Finally, the vibrational properties are already very well captured at the monomer and dimer level, making it possible to approximate vibrational free energies at room temperature within 1 kJ/mol.

AptaTrans: a deep neural network for predicting aptamer-protein interaction using pretrained encoders

BackgroundAptamers, which are biomaterials comprised of single-stranded DNA/RNA that form tertiary structures, have significant potential as next-generation materials, particularly for drug discovery. The systematic evolution of ligands by exponential enrichment (SELEX) method is a critical in vitro technique employed to identify aptamers that bind specifically to target proteins. While advanced SELEX-based methods such as Cell- and HT-SELEX are available, they often encounter issues such as extended time consumption and suboptimal accuracy. Several In silico aptamer discovery methods have been proposed to address these challenges. These methods are specifically designed to predict aptamer-protein interaction (API) using benchmark datasets. However, these methods often fail to consider the physicochemical interactions between aptamers and proteins within tertiary structures.ResultsIn this study, we propose AptaTrans, a pipeline for predicting API using deep learning techniques. AptaTrans uses transformer-based encoders to handle aptamer and protein sequences at the monomer level. Furthermore, pretrained encoders are utilized for the structural representation. After validation with a benchmark dataset, AptaTrans has been integrated into a comprehensive toolset. This pipeline synergistically combines with Apta-MCTS, a generative algorithm for recommending aptamer candidates.ConclusionThe results show that AptaTrans outperforms existing models for predicting API, and the efficacy of the AptaTrans pipeline has been confirmed through various experimental tools. We expect AptaTrans will enhance the cost-effectiveness and efficiency of SELEX in drug discovery. The source code and benchmark dataset for AptaTrans are available at https://github.com/pnumlb/AptaTrans.

Construction of full-atomistic polymer amorphous structures using reverse-mapping from Kremer-Grest models.

We propose a method to build full-atomistic (FA) amorphous polymer structures using reverse-mapping from coarse-grained (CG) models. In this method, three models with different resolutions are utilized, namely the CG1, CG2, and FA models. It is assumed that the CG1 model is more abstract than the CG2 model. The CG1 is utilized to equilibrate the system, and then sequential reverse-mapping procedures from the CG1 to the CG2 models and from the CG2 to the FA models are conducted. A mapping relation between the CG1 and the FA models is necessary to generate a polymer structure with a given density and radius of chains. Actually, we have used the Kremer-Grest (KG) model as the CG1 and the monomer-level CG model as the CG2 model. Utilizing the mapping relation, we have developed a scheme that constructs an FA polymer model from the KG model. In the scheme, the KG model, the monomer level CG model, and the FA model are successively constructed. The scheme is applied to polyethylene (PE), cis 1,4-polybutadiene (PB), and poly(methyl methacrylate) (PMMA). As a validation, the structures of PE and PB constructed by the scheme were carefully checked through comparison with those obtained using long-time FA molecular dynamics (MD) simulations. We found that both short- and long-range chain structures constructed by the scheme reproduced those obtained by the FA MD simulations. Then, as an interesting application, the scheme is applied to generate an entangled PMMA structure. The results showed that the scheme provides an efficient and easy way to construct amorphous structures of FA polymers.

Application of the finite element method to the multicomponent general dynamic equation of aerosols

This paper focuses on the numerical approximation of the multicomponent dynamic equation of aerosols (MCGDE), an integro-partial differential equation that describes the temporal evolution of the aerosol number distribution containing several compounds. More specifically, we compare the performance of the finite element method (FEM) and a commonly used sectional method. In addition to the standard Galerkin FEM, we introduce the Petrov–Galerkin Finite Element Method (PGFEM) to the MCGDE. These methods are compared to analytical solutions of the MCGDE and to accurate solutions given by the discrete multicomponent GDE which models the condensation process numerically at the monomer level. Results show that in cases where condensation is the dominating process, the accuracy of the FEM and PGFEM can be significantly better than the accuracy of the sectional method. They also generally achieve a given accuracy of the solution with a significantly lower number of discretization points than the sectional method. Moreover, the sparser the discretization is, the more beneficial is the use of the PGFEM, because it stabilizes the solution of condensation dominated MCGDEs. In the case of pure coagulation, all three numerical methods yield a similar accuracy.

Smart Polymers for Soft Materials: From Solution Processing to Organic Solids.

Polymeric materials are ubiquitous in our everyday life, where they find a broad range of uses-spanning across common household items to advanced materials for modern technologies. In the context of the latter, so called "smart polymers" have received a lot of attention. These systems are soluble in water below their lower critical solution temperature Tℓ and often exhibit counterintuitive solvation behavior in mixed solvents. A polymer is known as smart-responsive when a slight change in external stimuli can significantly change its structure, functionm and stability. The interplay of different interactions, especially hydrogen bonds, can also be used for the design of lightweight high-performance organic solids with tunable properties. Here, a general scheme for establishing a structure-property relationship is a challenge using the conventional simulation techniques and also in standard experiments. From the theoretical side, a broad range of all-atom, multiscale, generic, and analytical techniques have been developed linking monomer level interaction details with macroscopic material properties. In this review, we briefly summarize the recent developments in the field of smart polymers, together with complementary experiments. For this purpose, we will specifically discuss the following: (1) the solution processing of responsive polymers and (2) their use in organic solids, with a goal to provide a microscopic understanding that may be used as a guiding tool for future experiments and/or simulations regarding designing advanced functional materials.

Release of Monomers from Dental Composite Materials into Saliva and the Possibility of Reducing the Toxic Risk for the Patient.

Background and Objectives: The objective of this study was (1) to measure the amount of monomers released into the saliva depending on the time elapsed after the hardening of the composite and on the type of monomer used; and (2) with the prolongation of the light-curing procedure, to publish information on whether it would be possible to influence the level of leached monomers. Materials and Methods: HPLC technique was used to monitor the levels of the unpolymerized monomers Bis-GMA, Bis/EMA, TEGDMA, and UDMA from the four commonly used composite materials, released into the saliva of a volunteer with intact dentition. The levels were monitored in 3 time periods during 24 h after composite hardening. From every composite material, 4 samples were formed and cured with an LED lamp for 10 s, 20 s, 40 s, and 60 s. After the light curing, the same polishing procedure was used and the samples were leached in blank saliva samples. Results: We observed that every monitored composite material eluted monomers into the saliva after its application. The amount of monomers depended on the time elapsed after the curing of the composite and on the type of composite used. A 40 s LED curing procedure can reduce the amount of leached monomers in comparison with the standard 20 s procedure, especially for monomers of higher molecular weight. Conclusions: Our study confirmed the hypothesis that the release of monomers gradually decreases with increasing time after the hardening of the composite filling.

A Comparative Analysis on Thermal Stability of Delithiated Nickel-Rich LiNi0.8Co0.15Al0.05O2 and LiNi0.8Co0.1Mn0.1O2 in Pouch Cells

Abstract As two typical nickel-rich layered oxide cathodes, LiNi0.8Co0.15Al0.05O2 (NCA) and LiNi0.8Co0.1Mn0.1O2 (NCM811) are widely applicated in commercial high-energy batteries for electric vehicles. However, a comprehensive assessment of their thermal characteristics in a full cell is currently lacking. In this article, we conducted a monomer level thermal runaway test on NCA|SiC pouch cell and NCM811|SiC pouch cell through the accelerated rate calorimetry (ARC) test. The results showed that the {T1, T2, T3} of NCA|SiC pouch cell and NCM811|SiC pouch cell are {113.8 °C, 230.4 °C, 801.4 °C} and {91.3 °C, 202.1 °C, 745 °C}, respectively. Then the thermal stability of NCA and NCM811 was tested by differential scanning calorimeter coupled with thermal gravimetric analysis, and mass spectrometry (DSC-TG-MS). The results showed that the phase transition temperature of NCA is higher than that of NCM811. However, when NCA and NCM811 were mixed with anode electrode materials or electrolyte, NCA produced significantly more heat than NCM811. By confirming the thermal properties of NCA|SiC pouch cell and NCM811|SiC pouch cell, a deeper understanding of battery thermal runaway was achieved, which is helpful for the design of high-safety lithium-ion batteries in the future.

Polymer Translocation and Nanopore Sequencing: A Review of Advances and Challenges.

Various biological processes involve the translocation of macromolecules across nanopores; these pores are basically protein channels embedded in membranes. Understanding the mechanism of translocation is crucial to a range of technological applications, including DNA sequencing, single molecule detection, and controlled drug delivery. In this spirit, numerous efforts have been made to develop polymer translocation-based sequencing devices, these efforts include findings and insights from theoretical modeling, simulations, and experimental studies. As much as the past and ongoing studies have added to the knowledge, the practical realization of low-cost, high-throughput sequencing devices, however, has still not been realized. There are challenges, the foremost of which is controlling the speed of translocation at the single monomer level, which remain to be addressed in order to use polymer translocation-based methods for sensing applications. In this article, we review the recent studies aimed at developing control over the dynamics of polymer translocation through nanopores.

Local and Global Order in Dense Packings of Semi-Flexible Polymers of Hard Spheres.

The local and global order in dense packings of linear, semi-flexible polymers of tangent hard spheres are studied by employing extensive Monte Carlo simulations at increasing volume fractions. The chain stiffness is controlled by a tunable harmonic potential for the bending angle, whose intensity dictates the rigidity of the polymer backbone as a function of the bending constant and equilibrium angle. The studied angles range between acute and obtuse ones, reaching the limit of rod-like polymers. We analyze how the packing density and chain stiffness affect the chains' ability to self-organize at the local and global levels. The former corresponds to crystallinity, as quantified by the Characteristic Crystallographic Element (CCE) norm descriptor, while the latter is computed through the scalar orientational order parameter. In all cases, we identify the critical volume fraction for the phase transition and gauge the established crystal morphologies, developing a complete phase diagram as a function of packing density and equilibrium bending angle. A plethora of structures are obtained, ranging between random hexagonal closed packed morphologies of mixed character and almost perfect face centered cubic (FCC) and hexagonal close-packed (HCP) crystals at the level of monomers, and nematic mesophases, with prolate and oblate mesogens at the level of chains. For rod-like chains, a delay is observed between the establishment of the long-range nematic order and crystallization as a function of the packing density, while for right-angle chains, both transitions are synchronized. A comparison is also provided against the analogous packings of monomeric and fully flexible chains of hard spheres.

Holothuria scabra extracts confer neuroprotective effect in C.elegans model of Alzheimer's disease by attenuating amyloid-β aggregation and toxicity.

Alzheimer's disease (AD) is the most common aged-related neurodegenerative disorder that is associated with the toxic amyloid-β (Aβ) aggregation in the brain. While the efficacies of available drugs against AD are still limited, natural products have been shown to possess neuroprotective potential for prevention and therapy of AD. This study aimed to investigate the neuroprotective effects of H.scabra extracts against Aβ aggregation and proteotoxicity in C.elegans model of Alzheimer's diseases. Whole bodies (WB) and body wall (BW) of H.scabra were extracted and fractionated into ethyl acetate (WBEA, BWEA), butanol (WBBU, BWBU), and ethanol (BWET). Then C.elegans AD models were treated with these fractions and investigated for Aβ aggregation and polymerization, biochemical and behavioral changes, and level of oxidative stress, as well as lifespan extension. C.elegans AD model treated with H.scabra extracts, especially triterpene glycoside-rich ethyl acetate and butanol fractions, exhibited significant reduction of Aβ deposition. These H.scabra extracts also attenuated the paralysis behavior and improved the neurological defects in chemotaxis caused by Aβ aggregation. Immunoblot analysis revealed decreased level of Aβ oligomeric forms and the increased level of Aβ monomers after treatments with H.scabra extracts. In addition, H.scabra extracts reduced reactive oxygen species and increased the mean lifespan of the treated AD worms. In conclusion, this study demonstrated strong evidence of anti-Alzheimer effects by H.scabra extracts, implying that these extracts can potentially be applied as natural preventive and therapeutic agents for AD. Alzheimer's disease, Neurodegenerative disorder, Traditional medicine, Experimental model systems, Molecular biology.

Mechanistic insights into monomer level prevention of amyloid aggregation of lysozyme by glycyrrhizic acid

As the primary bioactive compound of glycyrrhiza rhizome, the triterpene glycoside conjugate Glycyrrhizic acid (GA) has demonstrated neuroprotective effects in vivo. This study evaluates the effectiveness of GA as an inhibitor of GuHCl-induced amyloid aggregation of hen egg white lysozyme (HEWL). Fibril formation as measured by Thioflavin-T fluorescence, 900 light scattering, and 8-Anilinonaphthalene-1-sulfonic acid (ANS) fluorescence illustrated ∼90 % prevention of fibrils at [GA]/[HEWL] ≥2:1. Images of Transmission electron microscopy evidence for the absence of any fibril or amorphous aggregation products. The spectral characteristics of soluble HEWL were in close resemblance to unfolded monomer. Computational and fluorescence investigations performed to analyse GA-HEWL interactions demonstrated slightly higher affinity of GA to unfolded HEWL and aggregation-prone regions. The likely mechanism of monomer level aggregation prevention by GA as dermined by computational, stability, and ANS experiments illustrated that GA modulated the compactness, solvent-accessible surface, and solvent-exposed hydrophobic surfaces of aggregation-prone state of HEWL. Our findings corroborate GA as an effective inhibitor of HEWL amyloid formation. To our knowledge, GA interaction-induced inhibition of aggregation-prone states has not been previously discussed. GA's modulation of aggregation-prone states of disease-related proteins will successfully develop GA as an amyloid inhibitor for clinical trials of amyloidosis and neurodegenerative illnesses.

Gemdimethyl Peptide Nucleic Acids (α/β/γ-gdm-PNA): E/Z-Rotamers Influence the Selectivity in the Formation of Parallel/Antiparallel gdm-PNA:DNA/RNA Duplexes.

Peptide nucleic acids (PNAs) consist of an aminoethylglycine (aeg) backbone to which the nucleobases are linked through a tertiary amide group and bind to complementary DNA/RNA in a sequence-specific manner. The flexible aeg backbone has been the target for several chemical modifications of the PNA to improve its properties such as specificity, solubility, etc. PNA monomers exhibit a mixture of two rotamers (Z/E) arising from the restricted rotation around the tertiary amide N-CO bond. We have recently demonstrated that achiral gemdimethyl substitution at the α, β, and γ sites on the aeg backbone induces exclusive Z (α-gdm)- or E-rotamer (β-gdm) selectivity at the monomer level. It is now shown that γ/β-gdm-PNA:DNA parallel duplexes are more stable than the analogous antiparallel duplexes, while γ/β-gdm-PNA:RNA antiparallel duplexes are more stable than parallel duplexes. Furthermore, the γ/β-gdm-PNA:RNA duplexes are more stable than the γ/β-gdm-PNA:DNA duplexes. These results with γ/β-gdm-PNA are the reverse of those previously seen with α-gdm-PNA oligomers that stabilized antiparallel α-gdm-PNA:DNA duplexes compared to α-gdm-PNA:RNA duplexes. The stability of antiparallel/parallel PNA:DNA/RNA duplexes is correlated with the preference for Z/E-rotamer selectivity in α/β-gdm-PNA monomers, with Z-rotamers (α-gdm) leading to antiparallel duplexes and E-rotamers (β/γ-gdm) leading to parallel duplexes. The results highlight the role and importance of Z- and E-rotamers in controlling the structural preferences of PNA:DNA/RNA duplexes.

Polystyrene Bioremediation: A Perspective on Microbial and Environmental Constrained Interventions

The polystyrene is the specific kind of plastics based upon petroleum which is composed of monomers of vinyl benzene (styrene). Regardless of the attraction of polystyrene, multiple organizations and municipalities are enduring an emerging challenge during disposal of polystyrene products and packaging. It is appraised that the products of polystyrene accounts for not more than 1% of the overall burden of landfill resources. It could be a greater health threat for humans also who are on the topmost level of food chain and farsighted styrene monomers of the plastics used in engineering polystyrene has been categorized as a potential humanoid carcinogen by the International Agency for Research on Cancer (IARC) and the US National Institutes of Health (NIH). As a few researchers have been published on the degradation of polystyrene plastic but the key point addressed in this review is the recognition of microbial and fungal enzymes which are known at present to be involved in polystyrene monomer plastic degradation. The major bacterial and fungal enzymes involved within the degradation reaction of vinyl side chain include styrene monooxygenase, styrene oxide isomerase, styrene monooxygenase, flavin adenine dinucleotide (FAD) reductase, styrene isomerase and phenyl acetaldehyde dehydrogenase. Omics”-based approaches revitalized the study of PAH catabolism by permitting for an integrative assessment of the biochemical mechanism in charge to degrade PAH including polystyrene on the polluted locations. The applications of such enzymes in procedures that would permit the degradation of polystyrene plastics contaminating niches is a dare for future cohorts of microbiology experts

Microscopic Dynamics in the Strain Hardening Regime of Glassy Polymers

We study by dielectric spectroscopy the molecular dynamics of relaxation processes during plastic flow of glassy polymers up to the strain hardening regime for three different protocols of deformation. The measured dielectric spectra cover 4 decades in frequencies and allow us to measure the evolution as a function of the applied strain of the dominant relaxation time τα and of the width wτ of the distribution of relaxation times. The first protocol is performed at constant strain rate λ̇. We confirm that for increasing strain both τα and wτ first decrease, reaching a minimum in the stress softening regime before increasing in the strain hardening regime. In the second protocol we stop the deformation at some point λw in the strain hardening regime, and we let the sample age for a waiting time tw, during which the applied stress remains high. Upon resuming the deformation at constant λ̇, stress–strain displays a yield stress and a stress softening regime comparable in magnitude to that of the reference protocol before rejoining the reference curve. In contrast, the dielectric spectrum measured during the second protocol recovers the one measured during the reference curve much later than strain–stress. In the third protocol the stress is canceled during tw. In this case, after recovering the constant λ̇ the dielectric spectrum and the stress–strain curve rejoin almost immediately the reference curve. We interpret these different behaviors as the consequence of changes in the free energy barriers for α-relaxation induced by the stress applied to the sample. These changes are the sum of two contributions: (a) The first one, which allows for plastic flow, is due to the applied stress σ and, according to a recently published theory, scales as −σ2. (b) The second contribution κ(λ), which is a function of the chain orientation at the monomer level, is positive and is responsible for the stress hardening regime. The first one evolves immediately upon varying the stress, whereas the second relaxes very slowly upon cessation of the applied stress. Our interpretation for the results of the third protocol is that aging dynamics is frozen when the stress is removed, as it is known for polycarbonate at room temperature. Our experiments set precise conditions for a theory of strain hardening.

Cryptotanshinone Alleviates Oxidative Stress and Reduces the Level of Abnormally Aggregated Protein in Caenorhabditis elegans AD Models.

Alzheimer’s disease (AD) is one of the leading causes of dementia. As the first common neurodegenerative disease, there are no effective drugs that can reverse the progression. The present study is to report the anti-AD effect of cryptotanshinone (CTS), a natural product isolated from Salvia castanea. It is found that it can alleviate AD-like features associated with Aβ1-42 toxicity in muscle cells as well as neuronal cells of Caenorhabditis elegans (C. elegans). Further studies showed that CTS reduced the level of reactive oxygen species (ROS) in nematodes, up-regulated the expression of sod-3, and enhanced superoxide dismutase activity. Cryptotanshinone reduced the level of Aβ monomers and highly toxic oligomers in C. elegans while inhibiting the abnormal aggregation of polyglutamine protein. In addition, CTS upregulated the expression of hsp-16.2 and downregulated the expression of ace-2. These results suggested that CTS could alleviate oxidative stress and reduce the level of abnormally aggregated proteins and has the potential to be developed as an anti-AD drug candidate.

A Quantum Chemical Deep-Dive into the π-π Interactions of 3-Methylindole and Its Halogenated Derivatives-Towards an Improved Ligand Design and Tryptophan Stacking.

Non-covalent π-π stacking interactions often play a key role in the stability of the secondary and tertiary structures of peptides and proteins, respectively, and can be a means of ensuring the binding of ligands within protein and enzyme binding sites. It is generally accepted that minor structural changes to the aromatic ring, such as substitution, can have a large influence on these interactions. Nevertheless, a thorough understanding of underpinning phenomena guiding these key interactions is still limited. This is especially true for larger aromatic structures. To expand upon this knowledge, elaborate ab initio calculations were performed to investigate the effect of halogenation on the stability of 3-methylindole stacking. 3-Methylindole served as a representation of the tryptophan side chain, and is a frequently used motif in drug design and development. Moreover, an expression is derived that is able to accurately predict the interaction stability of stacked halogenated 3-methylindole dimers as well as halogenated toluene dimers, based on monomer level calculated DFT descriptors. We aim for this expression to provide the field with a straightforward and reliable method to assess the effect of halogenation on the π-π stacking interactions between aromatic scaffolds.

Protocols of improvements for PMMA denture base resin: An overview

Polymethyl methacrylate (PMMA) is a polymer that is expansively employed in denture base construction due to its low cost, aesthetics, lightweight, reparability, and processability. Nevertheless, this material is not ideal to fulfill the mechanical and physical characteristics of dental restorations. Despite the popularity of the thermal polymerization method, the main shortcoming is the prolonged curing period. Thus, correctly selecting a polymerization cycle and post-polymerization treatment is needed to achieve promising outcomes. In autoclave polymerization, pressure plays a crucial function in accelerating the initial polymerization as well as decreasing the pores and remaining monomer level, thereby improving the flexural strength. Besides, ultrasound can speed up conventional chemical reactions by generating intensive local heating, higher pressures, and very short periods. This article reviews the currently employed protocols for enhancing PMMA denture base polymers and discusses the properties of modified acrylic materials. Moreover, this work explores the effects of the post-polymerization treatment, autoclave process, ultrasonic treatment, and gamma irradiation on the PMMA performance, as well as the positive influence of these treatments on functional properties and clinical longevity.

In Vitro Comparison of the Effect of Three Types of Heat-Curing Acrylic Resins on the Amount of Formaldehyde and Monomer Release as well as Biocompatibility

Background/Purpose. The biocompatibility and cytotoxicity of formaldehyde and monomer are essential in resin-based denture’s byproducts. This present study was performed to compare the release of formaldehyde and monomer and biocompatibility of three brands of heat-curing acrylic resins, including Ivoclar, Bayer, and Acropars, with different mixing properties and the same processing methods. Materials and Methods. In this experimental in vitro study, 18 samples were fabricated from Ivoclar, Bayer, and Acropars heat-curing acrylic resins (each group consisting of 6 samples). The released formaldehyde and monomer level were measured and registered for 1, 7, and 30 days. Also, methyl methacrylate release from samples was used to test cell cytotoxicity using L-929 murine fibroblast. The data were analyzed with repeated measures, one-way ANOVA, and Kruskal–Wallis tests. Results. For formaldehyde release of 1 day, Ivoclar acrylic resin showed the lowest level, followed by Bayer and Acropars acrylic resins ( P < 0.05 ). On 7 and 30 days, Bayer acrylic resin released the lowest formaldehyde, followed by Ivoclar and Acropars acrylic resins ( P < 0.05 ). Acropars showed the weakest and most significant results regarding biocompatibility and monomer release in all three points of time, respectively ( P < 0.05 ). Conclusion. Acropars acrylic resin showed the most significant formaldehyde and monomer release and least biocompatibility compared to Bayer and Ivoclar for 1, 7, and 30 days; however, after 30 days, all three resins displayed the same amount of formaldehyde release.