Shape Memory Performance and Microstructural Evolution in PLA/PEG Blends: Role of Plasticizer Content and Molecular Weight.

Poly(lactic acid) (PLA) exhibits excellent shape memory properties but suffers from brittleness and a high glass transition temperature (T), limiting its utility in flexible and durable applications. This study explored the modification of PLA properties through the incorporation of poly(ethylene glycol) (PEG), varying in both content (5-20 wt%) and molecular weight (4000-12,000 g/mol), to enhance its suitability for specific applications, such as medical splints. The PLA/PEG blend, containing 15 wt% PEG and with a molecular weight of 12,000 g/mol, exhibited superior shape fixity (99.

Cell Morphology, Material Property and Ni(II) Adsorption of Microcellular Injection-Molded Polystyrene Reinforced with Graphene Nanoparticles.

Graphene's incorporation into polymers has enabled the development of advanced polymer/graphene nanocomposites with superior properties. This study focuses on the use of a microcellular foamed polystyrene (PS)/graphene (GP) nanocomposite (3 wt%) for nickel (II) ion removal from aqueous solutions. Adsorption behavior was evaluated through FTIR, TEM, SEM, TGA, and XRD analyses.

Validating Structural Predictions of Conjugated Macromolecules in Espaloma-Enabled Reproducible Workflows.

We incorporated Espaloma forcefield parameterization into MoSDeF tools for performing molecular dynamics simulations of organic molecules with HOOMD-Blue. We compared equilibrium morphologies predicted for perylene and poly-3-hexylthiophene (P3HT) with the ESP-UA forcefield in the present work against prior work using the OPLS-UA forcefield. We found that, after resolving the chemical ambiguities in molecular topologies, ESP-UA is similar to GAFF.

Regulating Charge Distribution in Porphyrin-Based Polymer for Achieving Photocatalytic CO Conversion to CH or CH.

The photocatalytic conversion of CO into products such as CH and CH poses a significant challenge due to the lengthy reaction steps and the high energy barrier involved. In this study, both benzothiadiazole (BTD) and hydroxyl groups (-OH) are introduced into cobalt-based polymerized porphyrinic network (PPN) through a C-C coupling reaction. This modification of orbital energy levels that strengthens the ability of gain electrons and facilitates the charge transfer in PPN.

Crystalline Covalent Triazine Frameworks and 2D Triazine Polymers: Synthesis and Applications.

ConspectusCovalent triazine frameworks (CTFs) are a novel class of nitrogen-rich conjugated porous organic materials constructed by robust and functional triazine linkages, which possess unique structures and excellent physicochemical properties. They have demonstrated broad application prospects in gas/molecular adsorption and separation, catalysis, energy conversion and storage, etc. In particular, crystalline CTFs with well-defined periodic molecular network structures and regular pore channels can maximize the utilization of the features of CTFs and promote a deep understanding of the structure-property relationship.

Bifunctional Group Modulation Strategy Enables MR-TADF Electroluminescence Toward BT.2020 Green Light Standard.

Herein, a parallel "bifunctional group" modulation method is proposed to achieve controlled modulation of the emission wavelength and full-width at half-maximum (FWHM) values. As a result, three proof-of-concept emitters, namely DBNDS-TPh, DBNDS-DFPh, and DBNDS-CNPh, are designed and synthesized, with the first functional dibenzo[b,d]thiophene unit concurrently reducing the bandgap and elevate their triplet state energy. A second functional group 1,1':3',1″-triphenyl, and electron acceptors 1,3-difluorobenzene and benzonitrile, respectively, to deepen the HOMO and LUMO levels.

Thiophene Copolymer Donors Containing Ester-Substituted Thiazole for Organic Solar Cells.

Organic solar cells have seen significant progress in the past 2 decades with power conversion efficiencies (PCEs) exceeding 20% but mostly based on high-cost photovoltaic materials. Polythiophenes (PTs) without a fused-ring structure are good candidates as low-cost donor materials, deserving more attention for studying. In this work, ester-substituted thiazole (E-Tz) was explored as the electron-withdrawing unit to design PTs, and further optimization on the fluorinated/nonfluorinated donor segment contents via copolymerization strategy was simultaneously performed, yielding polymer donors of PTETz-100F, PTETz-80F, and PTETz-0F.

Cellulose Elementary Fibrils as Deagglomerated Binder for High-Mass-Loading Lithium Battery Electrodes.

Amidst the ever-growing interest in high-mass-loading Li battery electrodes, a persistent challenge has been the insufficient continuity of their ion/electron conduction pathways. Here, we propose cellulose elementary fibrils (CEFs) as a class of deagglomerated binder for high-mass-loading electrodes. Derived from natural wood, CEF represents the most fundamental unit of cellulose with nanoscale diameter.

Structure-directing effect of terephthalate in bridging Zn(II)- and Cd(II)-based coordination polymers towards application in the detection of trace quantities of Pd in aqueous media and their electrical conductivities.

Energy crisis and environmental pollution are two central themes of contemporary research towards achieving sustainable development goals (SDGs). Material chemistry is the chief discipline that can resolve glitches in these areas through the appropriate design of chemical compounds with multifunctional properties. In this regard, two stable coordination polymers (CPs) were synthesised in this work using Zn(II) (3d) and Cd(II) (d) metal nodes with 1,4-benzenedicarboxylate () as the bridging ligand and monodentate pyridyl-N coordinated 9-fluoren-2-yl-pyridin-4-ylmethylene-amine (flpy) as the fluorogenic partner.

Self-Diffusion of Star and Linear Polyelectrolytes in Salt-Free and Salt Solutions.

This work explored solution properties of linear and star poly(methacrylic acids) with four, six, and eight arms (PMAA, 4PMAA, PMAA, and 8PMAA, respectively) of matched molecular weights in a wide range of pH, salt, and polymer concentrations. Experimental measurements of self-diffusion were performed by fluorescence correlation spectroscopy (FCS), and the results were interpreted using the scaling theory of polyelectrolyte solutions. While all PMAAs were pH sensitive and showed an increase in hydrodynamic radius ( ) with pH in the dilute regime, the of star polymers (measured at basic pH values) was significantly smaller for the star polyacids due to their more compact structure.

Enhancing structural health monitoring of fiber-reinforced polymer composites using piezoresistive TiCT MXene fibers.

The anisotropic behavior of fiber-reinforced polymer composites, coupled with their susceptibility to various failure modes, poses challenges for their structural health monitoring (SHM) during service life. To address this, non-destructive testing techniques have been employed, but they often suffer from drawbacks such as high costs and suboptimal resolutions. Moreover, routine inspections fail to disclose incidents or failures occurring between successive assessments.

Influence of core material and occlusal contact pattern on fatigue behavior of different monolithic ceramic crowns.

This study evaluated the effect of substrate core materials and occlusal contact patterns on the fatigue mechanical behavior and stress distribution of single-unit ceramic crowns. One hundred and twenty monolithic crowns were fabricated from zirconia (YZ - IPS e.max ZirCAD, Ivoclar), lithium disilicate (LD - IPS e.

Microfluidics-enabled core/shell nanostructure assembly: Understanding encapsulation processes via particle characterization and molecular dynamics.

In the realm of hybrid nanomaterials, the construction of core/shell nanoparticles offer an effective strategy for encompassing a particle by a polymeric or other suitable material, leading to a nanocomposite with distinct features within its structure. The polymer shell can be formed via nanoprecipitation, optimized by manipulating fluid flow, fluid mixing, modulating device features in microfluidics. In addition to the process optimization, success of polymer assembly in encapsulation strongly lies upon the favorable molecular interactions originating from the diverse chemical environment shared between core and shell materials facilitating formation of core/shell nanostructure.

Mechanically interlocked two-dimensional polymers.

Mechanical bonds arise between molecules that contain interlocked subunits, such as one macrocycle threaded through another. Within polymers, these linkages will confer distinctive mechanical properties and other emergent behaviors, but polymerizations that form mechanical bonds efficiently and use simple monomeric building blocks are rare. In this work, we introduce a solid-state polymerization in which one monomer infiltrates crystals of another to form a macrocycle and mechanical bond at each repeat unit of a two-dimensional (2D) polymer.

Halogen-Free Wide Band Gap Polymer Donors Based on Dicyanobithiophene for Efficient Organic Solar Cells.

Conjugated polymer donors have always been one of the important components of organic solar cells (OSCs), particularly those featuring simple synthetic routes, proper energy levels, and appropriate aggregation behavior. In this work, we employed a nonfused electron-deficient building block, dicyanobithiophene (2CT), for constructing high-performance donors. Combining this with side-chain engineering, two novel halogen-free polymer donors, PB2CT-BO and PB2CT-HD, were reported.

Constructing Activatable Photosensitizers Using Covalently Modified Mesoporous Silica.

The combination of photosensitizers (PSs) and nanomaterials is a widely used strategy to enhance PS efficacy and broaden their applicability. However, the current nanocarrier-based delivery strategies focus on conventional PSs, neglecting the critical issue of PS phototoxicity. In this study, DHUOCl-25, an activatable PS (aPS) activated by hypochlorous acid, is synthesized by combining a silicon source structure and an activation unit.

N-oxide-Functionalized Bipyridines as Strong Electron-Deficient Units to Construct High-Performance n-Type Conjugated Polymers.

Developing low-cost unipolar n-type organic thin-film transistors (OTFTs) is necessary for logic circuits. To achieve this objective, the usage of new electron-deficient building blocks with simple structure and easy synthetic route is desirable. Among all electron-deficient building units, N-oxide-functionalized bipyridines can be prepared through a simple oxidized transformation of bipyridines.

A Low-Symmetry Copper Benzenehexathiol Coordination Polymer with In-Plane Electrical Anisotropy.

Electrically conductive coordination polymers (ECCPs), particularly those incorporating benzenehexathiol (BHT) ligands, are emerging as a distinctive class of electronic materials with tunable semiconducting and metallic properties. However, the exploration of novel ECCPs with low-symmetry structures and electrical anisotropy remains under development. Here, we report the on-water surface synthesis of a novel ECCP, namely CuBHT, which exhibits a low-symmetry structure and unique in-plane electrical anisotropy that differs from the well-known CuBHT phase.

The Effect of Particle-Matrix Interface on the Local Mechanical Properties of Filled Polymer Composites: Simulations and Theoretical Analysis.

A finite element model of the local mechanical response of a filled polymer composite to uniaxial compression is presented. The interfacial layer between filler particles and polymer matrix is explicitly modeled as a third phase of the composite. Unit cells containing one or several anisometric filler particles surrounded by interface shells are considered.

Polydopamine Coated Nonspherical Magnetic Nanocluster for Synergistic Dual Magneto-Photothermal Cancer Therapy.

Local hyperthermia is gaining considerable interest due to its promising antitumor effects. In this context, dual magneto-photothermal cancer therapy holds great promise. For this purpose, the use of nanomaterials has been proposed.

Local Environment-Modulated f-f Transition in Unit-Cell-Sized Lanthanide Ultrathin Nanostructures.

The regulation of the f-f transition is the basis of utilizing the abundant optical properties of lanthanide (Ln), of which the key is to modulate the local environment of Ln ions. Here, we constructed Eu(III)-based unit-cell-sized ultrathin nanowires (UCNWs) with red luminescence and polymer-like behavior, which appears as an ideal carrier for regulating f-f transition. The f-f transition of Eu(III) in UCNWs could be precisely regulated through various ligands.

Evolution of electronic structure and optical properties of naphthalenediimide dithienylvinylene (NDI-TVT) polymer as a function of reduction level: a density functional theory study.

Naphthalenediimide (NDI)-based donor-acceptor co-polymers with tunable electronic, optical, mechanical, and transport properties have shown immense potential as n-type conducting polymers in organic (opto)electronics. During the operation, the polymers undergo reduction at different charged states, which alters their (opto)electronic properties mainly due to the formation of the quasiparticles, polaron/bipolaron. The theoretical study based on quantum mechanical calculations can provide us with a detailed understanding of their (opto)electronic properties, which is missing to a great extent.

Canopy elastic turbulence: Insights and analogies to canopy inertial turbulence.

Canopy flows occur when a moving fluid encounters a matrix of free-standing obstacles and are found in diverse systems, from forests and marine ecology to urban landscapes and biology (e.g. cilia arrays).

Tripodal Triptycenes as a Versatile Building Block for Highly Ordered Molecular Films and Self-Assembled Monolayers.

ConspectusThe design of properties and functions of molecular assemblies requires not only a proper choice of building blocks but also control over their packing arrangements. A highly versatile unit in this context is a particular type of triptycene with substituents at the 1,8,13-positions, called tripodal triptycene, which offers predictable molecular packing and multiple functionalization sites, both at the opposite 4,5,16- or 10 (bridgehead)-positions. These triptycene building blocks are capable of two-dimensional (2D) nested hexagonal packing, leading to the formation of 2D sheets, which undergo one-dimensional (1D) stacking into well-defined "2D+1D" structures.