Antibacterial hydrogels have received intensive interest in soft tissue repair, especially for preventing infections associated with impaired wound healing. However, developing an inherent antibacterial hydrogel dressing antifouling ability without causing secondary damage to repaired tissues has proven be promising and challenging. In this work, a mussel-inspired zwitterionic sulfobetaine acrylamide incorporated laponite (LAP) nanoplatelets methacrylamide dopamine (DMA) been developed...

A theoretical approach combining self-consistent-field theory (SCFT) for fluids and density functional (DFT) particles was applied to investigate the self-assembly behavior of amphiphilic diblock copolymer/nanoparticle mixture in dilute solution. Two kinds hydrophobic nanoparticles are studied: one is that selective blocks but incompatible with hydrophilic blocks, other nonselective blocks. For both cases, self-association block observed, spatially organized clusters. The aggregate...

Combining the self-consistent field theory (SCFT) and density functional (DFT), we investigated self-assembly behavior of AB diblock copolymer tethered single spherical particle P (ABP molecules). Two cases were studied: one is where particles are chemically neutral to both A B blocks, other unfavorable neither two blocks. For particles, ABP molecules self-assemble typical equilibrium microstructures, such as lamellae cylinders. The localized in block domains, size can influence phase...

Equilibrium phase diagrams serve as blueprints for rational design of nanostructured materials block copolymers, but their construction is time-consuming and requires profound expertise. Herein, by virtue the knowledge self-consistent field theory (SCFT), active-learning method developed to autonomously construct copolymers. Without human intervention, SCFT-assisted can rapidly search undetected phases efficiently reproduce complicated diblock copolymers multiblock terpolymers via decreasing...

The effect of chain conformation change on the self-assembly behavior poly(γ-benzyl- l-glutamate)-block-poly(ethylene glycol) (PBLG-b-PEG) was studied both experimentally by transmission electron microscopy, laser light scattering, and circular dichroism computationally using molecular dynamics (MD) simulation. It found that, introducing trifluoroacetic acid to PBLG-b-PEG solution, PBLG transforms from α-helix random coil, which results in a micelle structures formed rod sphere. Meanwhile,...

Using real-space self-consistent field theory, we explored hierarchical microstructures self-assembled from A(BC)n multiblock copolymers. The copolymers were classified into two types in terms of relative magnitude A/B and A/C interaction strengths: one is that χABN less than or equal to χACN, the other greater χACN. For both cases, can self-assemble hierarchically ordered with different length scales. ≤ various microstructures, such as cylinders-in-lamellae∥, lamellae-in-lamella∥,...

We conduct Brownian dynamics simulations to explore the kinetics of living supramolecular polymerization using seeded growth rod–coil block copolymers as a model system. by developing kinetic theory for classical covalent with length-dependent rate coefficients. The coefficient in proposed decreases increasing cylindrical micelle length, which is attributed rigidity and unique diffusion behavior. Like polymerization, can produce low-dispersity assemblies via different mechanisms. results...

Variable chain topologies of multiblock copolymers provide great opportunities for the formation numerous self-assembled nanostructures with promising potential applications. However, consequent large parameter space poses new challenges searching stable region desired novel structures. In this Letter, by combining Bayesian optimization (BO), fast Fourier transform-assisted 3D convolutional neural network (FFT-3DCNN), and self-consistent field theory (SCFT), we develop a data-driven fully...

Establishing the structure-property relationship by machine learning (ML) models is extremely valuable for accelerating molecular design of polymers. However, existing ML polymers are subject to scarcity issues training data and fewer variations graph structures molecules. In addition, limited works have explored interpretability infer latent knowledge in field polymer science that could inspire ML-assisted design. this contribution, we integrate convolutional neural networks (GCNs) with...

We investigated, both experimentally and theoretically, the self-assembly behaviors of pH- thermosensitive poly(L-glutamic acid)- b-poly(propylene oxide)-b-poly(L-glutamic acid) (PLGA-b-PPO-b-PLGA) triblock copolymers in aqueous solution by means transmission electron microscopy (TEM), scanning (SEM), dynamic light scattering (DLS), circular dichroism (CD), self-consistent field theory (SCFT) simulations. Vesicles were observed when hydrophilic PLGA block length is shorter or pH value lower....

We present a hybrid numerical method to introduce hydrodynamics in dynamic self-consistent field (SCF) studies of inhomogeneous polymer systems. It solves set coupled dynamical equations: The Navier–Stokes equations for the fluid flow, and SCF-based convection-diffusion evolution local monomer compositions. are simulated by lattice Boltzmann solved finite difference scheme. Two applications presented: First, we study microphase separation symmetric asymmetric block copolymer melts with...

Self-assembly behaviors of cylinder-forming diblock copolymers directed by an array anisotropic nanoposts with elliptical shape are explored large cell simulations self-consistent field theory. The strategy using allows us to generate long-range order cylinders single orientation suppressing other selections cylinder alignment. anisotropy plays a significant role in improving the tolerance commensurability conditions between dimensions nanopost lattices and period cylinders. Moreover, local...

Near-infrared (NIR) light plays an increasingly important role in the field of photoinduced electron/energy transfer-reversible addition-fragmentation chain transfer (PET-RAFT) polymerization due to its unique properties. Yet, NIR photocatalyst with good stability for PET-RAFT remains promising. Here, a strategy semifluorinated monomers using fluorophenyl bacteriochlorin as strong absorption at region (710-780 nm) is reported. In which, F atoms are used modify reduced tetraphenylporphyrin...

Microstructures assembled by amphiphilic graft copolymers in a selective solvent (poor for the backbone chain and good chains or poor chain) were investigated on basis of real-space algorithm self-consistent field theory two-dimensions. Circle-like micelles, line-like large compound vesicles are obtained tailoring architectural parameters interaction parameter between blocks solvents. The aggregate morphology stability regions as functions position first point number branches constructed. It...

The self-assembly behavior of AB/AC amphiphilic diblock copolymer mixtures in dilute solution was studied by a real-space-implemented self-consistent field theory three dimensions. AB and AC copolymers have common hydrophobic block A but different hydrophilic blocks B C. Two cases were studied: one which same lengths lengths. It found that the two can cooperatively self-assemble into hybrid aggregates. morphologies formed aggregates to be dependent on mixture ratio interaction between C...

Sleep can affect nonalcoholic fatty liver disease (NAFLD). We investigated the association between sleep duration, quality, and NAFLD. From January to December 2018, 1,073 patients (age: 37.94 ± 10.88, Body Mass Index (BMI): 22.85 3.27) were enrolled. Pittsburgh Quality Questionnaire Munich Chronotype used assess habits. Ultrasonography was diagnose Multivariate logistic regression models calculate odds ratio (OR) 95% confidence interval (CI) of risk NAFLD by different types duration...

Background Metabolically Associated Fatty Liver Disease (MAFLD) marks a progression from the previous paradigm of Non-Alcoholic (NAFLD), presenting redefined diagnostic framework that accentuates metabolic factors while recognizing non-alcoholic contributors. In our investigation, principal aim was to scrutinize conceivable correlation between diverse serum folate levels and prevalence MAFLD liver fibrosis. Methods we conducted an extensive analysis utilizing data derived National Health...

Continuous-wave lasers can cause irreversible damage to structured materials in a very short time. Modern high-energy laser protection are mainly constructed from ceramic, polymer, and metal constitutions. However, these protected by sacrificing their structural integrity under the irradiation of lasers. In this contribution, we reported multilayer fibrous felt-reinforced aerogels that sustain continuous at power density 120 MW·m-2 without damage. It is found exceptional performance...

Abstract Harnessing data to discover the underlying constitutive relation of phase‐separated polymers can significantly advance fabrication high‐performance materials. This work introduces a novel data‐driven method learn equation diffusional transport from spatiotemporal density field. In particular, seamlessly integrated physics‐informed neural networks for inference approximate solution diffusivity, and symbolic regression that form explicit expressions diffusivity. The efficacy...

A 59-year-old man was admitted to our hospital with a diagnosis of hypopharyngeal carcinoma. During gastroscopy, mass identified in the descending part duodenum, and biopsy results indicated presence low grade intraepithelial neoplasia. An enhanced computed tomography upper abdomen demonstrated that wall duodenum markedly thickened, exhibiting local mass-like convexity into lumen, which homogeneously ([Fig. 1]), mesenteric arterial blood supply. Additionally, lumen narrowed, surrounding fat...

Colloidal molecules, novel nanoparticle clusters with molecular-like structures, can enhance material performance and broaden applications in nanotechnology materials science. However, constructing them a precise, controllable architecture remains challenging. Inspired by the concepts of chemical reaction, we theoretically design type nanoparticles bifunctionalized DNA strands polymer chains propose stepwise strategy to hierarchically program assembly into well-defined colloidal molecules...