Article
Polymer Science
Tomas Blovsky, Karel Sindelka, Zuzana Limpouchova, Karel Prochazka
Summary: This study demonstrates through simulations that self-assembling copolymers in semi-dilute solutions show partially structured aggregation behavior under confinement, with the degree of influence varying depending on the type of confinement.
Article
Biochemistry & Molecular Biology
Afshin Eskandari Nasrabad, Rozita Laghaei, Rob D. Coalson
Summary: This study investigates the impact of temperature on the structure of pure polymer brushes and their mixture with attractive nanoparticles in different geometries. Molecular dynamics simulations show that the collapse transition of the brush is influenced by temperature, while the brush height remains unchanged. However, the brush structure in the presence of attractive nanoparticles is temperature-sensitive.
INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES
(2023)
Article
Chemistry, Physical
Ahmad Moghimikheirabadi, Martin Kroger, Argyrios Karatrantos
Summary: In this study, conformation, entanglement, and dynamics in attractive polymer nanocomposites were investigated using coarse-grained molecular dynamics simulation. The behavior of the apparent tube diameter and the entangled polymer mobility were found to be greatly influenced by the geometric confinement length at strong confinement due to the presence of nanoparticles. Additionally, entangled polymer dynamics were hindered by the strong confinement created by the nanoparticles.
Article
Chemistry, Physical
Stefano Caputo, Velichko Hristov, Antonio De Nicola, Harald Herbst, Antonio Pizzirusso, Greta Donati, Gianmarco Munao, Alexandra Romina Albunia, Giuseppe Milano
Summary: The study introduces large-scale coarse-grained models for filler/polymer interfaces based on carbon black (CB) and polyethylene (PE) and validates their computational efficiency. The molecular models allow a description of PE chain conformational behavior adsorbed on CB primary particles. The proposed method opens up the possibility of a computational screening for optimal polymer/fillers interface and interphase engineering.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION
(2021)
Article
Polymer Science
Antonio Lamura
Summary: The dynamical response of a tethered semiflexible polymer with self-attractive interactions under an external force field was numerically investigated by varying stiffness and self-interaction strength. Different parameters led to various transitions and morphological changes in the polymer chain. The study showed that the external force had significant effects on the conformation and deformation of the polymer chain.
Article
Chemistry, Physical
Shensheng Chen, Emad Pirhadi, Xin Yong
Summary: This study investigates the necking dynamics of attractive microgels and reveals that it exhibits liquid-like or solid-like behavior over different time and length scales. The growth of the neck is governed by stress relaxation of the polymers, and it shows an exponential decay in the rate of growth.
JOURNAL OF COLLOID AND INTERFACE SCIENCE
(2022)
Article
Polymer Science
Jaeman J. Shin
Summary: The effect of inorganic nanoparticles on the structure of hybrid block copolymer particles and the local distribution of nanoparticles is studied. The study focuses on comparing the nanoparticles made of Au and Fe3O4. The distribution of nanoparticles inside the particles was found to affect the overall particle morphology. Au nanoparticles were selectively localized inside certain domains regardless of the particle morphology, while Fe3O4 nanoparticles clustered and segregated to the interfaces of the particles.
Article
Polymer Science
Yanfei Tang, John E. McLaughlan, Gary S. Grest, Shengfeng Cheng
Summary: This study applies a method of simulating the drying process of a soft matter solution by moving the liquid-vapor interface. Interesting phenomena such as polymer-on-top stratification and core-shell nanoparticle clusters are observed. The results also validate the applicability of the method to various drying systems.
Article
Physics, Multidisciplinary
Chunhe Zhang, Chenliang Xie, Wei Feng, Hao Luo, Yanan Liu, Guangyin Jing
Summary: Biopolymers with microscale length and nanoscale cross-sections subjected to active forces in living creatures are studied by introducing fluorescent actin filament into an active suspension of motile bacteria. Bacteria deform and straighten the filaments through relative and parallel motions, respectively. The evolution of bending energy and the correlation between persistence length and active elasto-viscous number (mu) over tilde are analyzed.
NEW JOURNAL OF PHYSICS
(2023)
Article
Chemistry, Multidisciplinary
Hui Li, Yigeng Peng, Ruifeng Lu
Summary: This study investigated the effect of different substrates on the optical resonances of LiNbO3 nanoparticles and found that the electric and magnetic resonances of the system can be effectively adjusted by changing the substrate. Compared to the impact of dielectric substrate, the interaction between LiNbO3 nanoparticles and the Au film exhibited a sharp resonance peak. The size, shape of the nanoparticles, and the thickness of the SiO2 film between the particle and the Au film significantly influenced the electromagnetic resonance of LiNbO3 nanoparticles.
Article
Physics, Fluids & Plasmas
Ankit Singh, Yashwant Singh
Summary: This paper applies a theory developed in previous works to investigate the slowing down of dynamics of glass-forming liquids in relation to attractive and repulsive intermolecular interactions. By comparing a Lennard-Jones glass-forming liquid and its simplified model, the study reveals that differences in local structures and parameters psi(T) and T-a significantly impact the dynamics of the two systems. The findings suggest that intermolecular interactions play a crucial role in determining the dynamics of glass-forming liquids.
Article
Engineering, Multidisciplinary
Cheng Fu, Massimiliano Cremonesi, Umberto Perego
Summary: The dynamics of fluid flows interacting with highly deformable structures is a complex problem. The Particle Finite Element Method (PFEM) is a mesh-based Lagrangian approach that can track fluid boundaries and fluid-structure interaction interface. However, for problems with nonhomogeneous boundary conditions or moderate changes in topology, an Eulerian formulation is more suitable. This work presents an adaptive hybrid Lagrangian-Eulerian approach that combines the advantages of both formulations. Numerical examples are used to validate the proposed method.
INTERNATIONAL JOURNAL FOR NUMERICAL METHODS IN ENGINEERING
(2023)
Article
Polymer Science
Shao-fan Li, Xiang-ning Wei, Wei-long Ju, Yun-lan Su, Du-jin Wang
Summary: This review summarizes the mechanical enhancement mechanism of nanoparticles and polymer in polymer nanocomposites, focusing on particle-polymer interaction and particle-particle interaction. By controlling factors such as grafting density, chain length, and nanoparticle size, the properties of polymer nanocomposites can be modulated effectively.
ACTA POLYMERICA SINICA
(2021)
Review
Polymer Science
Yue Shao, Zhenzhong Yang
Summary: Precise control of molecular hierarchical organization has led to unique functions in biological systems, inspiring efforts in synthesizing artificial mimics. Polymeric single-chain nanoparticles (SCNPs) with tunable microstructure and composition are considered ideal for biomimetic architectures. SCNPs can be constructed by intramolecular crosslinking of linear polymers with tailored composition and topology, and their microstructure can be adjusted from individual particles to tadpole-shaped and dimer structures. Functional composite hybrids with enriched composition and microstructure can be derived through selective growth of functional materials or post-modification. These hybrids exhibit synergistic effects by combining the functionalities of colloidal nanoparticles and characteristics of polymer chains. They are attractive for applications such as catalytic mimicking and interfacial engineering.
PROGRESS IN POLYMER SCIENCE
(2022)
Article
Polymer Science
Yi-Ju Chen, Hsiu-Yu Yu
Summary: We conducted molecular dynamics simulations to investigate the impact of enthalpic interaction on the static and dynamic properties of solvent-free polymer brushes. The results showed that a less favorable enthalpic interaction led to a more stretched chain configuration, lower inter-brush penetration, and faster relaxation. Additionally, the molecular absorption was found to be driven by the release of entropic frustration and the chemical affinity. The distribution function of solute within the inter-wall space indicated that solute-polymer mixing occurred preferentially in the middle of the gap when the enthalpic interaction was more favorable. The brush profiles restrained the molecular diffusion perpendicular to the grafting wall, with higher solute mobility observed when the attraction from the brush was weaker.
Article
Chemistry, Multidisciplinary
Er-Yuan Chuang, Kun-Ju Lin, Tring-Yo Huang, Hsin-Lung Chen, Yang-Bao Miao, Po-Yen Lin, Chiung-Tong Chen, Jyuhn-Huarng Juang, Hsing-Wen Sung
Article
Polymer Science
Chih-Mei Young, Yu-Fan Chang, Yu-Hsiang Chen, Chun-Yu Chen, Hsin-Lung Chen
Review
Biochemistry & Molecular Biology
Bradley W. Mansel, Hsin-Lung Chen
Summary: Gene therapy is a critical development in modern medicine, making the search for non-viral carriers of therapeutic nucleic acids essential. Dendrimers, with their hyper-branched structure and low cytotoxicity, have shown promise in compacting DNA for delivery, with different structures being formed based on physiochemical conditions. Understanding the mechanisms driving this compaction and tuning the structural properties of the complexes using small-angle scattering techniques will be the focus of future research.
CURRENT MEDICINAL CHEMISTRY
(2021)
Article
Polymer Science
Babak Nouri, Chun-Yu Chen, Yu-Shan Huang, Bradley W. Mansel, Hsin-Lung Chen
Summary: The study demonstrates that in block copolymers, particles with relatively high size dispersity can drive the micelles to pack into a specific C14 phase, thereby relieving the packing frustration of the Voronoi cells and the intermicellar repulsion due to the volume asymmetry and small surface area of the cells, respectively.
Article
Polymer Science
Li-Ting Chen, Yu-Ting Huang, Chun-Yu Chen, Meng-Zhe Chen, Hsin-Lung Chen
Summary: Stacking faults in hexagonal close-packed layers of micelles formed by polymer blends increase as temperature decreases, due to the thermodynamic favorability of introducing stacking faults when the lateral dimension of the HCPL is small and the bulk free energy difference between FCC and HCP lattices is small. The higher extent of stacking faults at lower temperature indicates higher entropy in micelles packed in the HCP lattice compared to those in the FCC phase.
Article
Polymer Science
Yu-Hsuan Lin, Chang-Cheng Shiu, Tien-Lin Chen, Hsin-Lung Chen, Jing-Cherng Tsai
Summary: Blending with homopolymer can tune the microdomain morphology of block copolymers, but under certain conditions, the addition of homopolymer may lead to anomalous phenomena such as excessive swelling of junction point separation and decreased interdomain distance.
Article
Biochemistry & Molecular Biology
Takuya Isono, Ryoya Komaki, Nao Kawakami, Kai Chen, Hsin-Lung Chen, Chaehun Lee, Kazushige Suzuki, Brian J. Ree, Hiroaki Mamiya, Takuya Yamamoto, Redouane Borsali, Kenji Tajima, Toshifumi Satoh
Summary: Carbohydrate nanostructures with different morphologies can be fabricated using a star-shaped discrete block co-oligomer platform, which has great application potential in biomedical and nanofabrication fields.
Article
Polymer Science
Babak Nouri, Chun-Yu Chen, Jhih-Min Lin, Hsin-Lung Chen
Summary: This study investigates the formation mechanism of body-centered cubic (BCC) and Laves C14 phases through thermal processing of polymer micelle particles. The study reveals that the dispersity of the micelle particles plays a crucial role in the formation of the C14 phase and proposes a mechanism of size fractionation to direct the development of the C14 phase.
Article
Polymer Science
Kai Chen, Chun -Yu Chen, Hsin-Lung Chen, Ryoya Komaki, Nao Kawakami, Takuya Isono, Toshifumi Satoh, Du -Yuan Hung, Ying-Ling Liu
Summary: This study reveals the strong effects of molecular architecture and configuration on the self-assembly behavior of sugar-based block copolymers. The configuration prescribed by the substituted positions of the block chains exerts a significant influence on the formation of hydrogen bonding and the resistance against bending. These findings provide insights into the controlled fabrication of ordered structures in green materials.
Article
Chemistry, Multidisciplinary
Yi-Cheng Lai, Bradley W. Mansel, Chun -Yu Chen, Chih-Ying Liu, Yu -Hsiang Chen, Chun-Jen Su, U-Ser Jeng, Hsin-Lung Chen
Summary: The electrostatic interaction between PAMAM G9 dendrimer and DBSA leads to the formation of a nucleosome-like structure, where the DBSA cylindrical micelles wrap around the dendrimer in a spiral with a regular pitch length. Molecular dynamics simulation shows that the spherical micelles first condense on the dendrimer surface via electrostatic attraction, then merge and bend to form a spring-like helix wrapping around the dendrimer. This discovery demonstrates the universality of soft cylindrical building blocks in twisting and wrapping around oppositely charged particles for optimal charge matching.
Article
Crystallography
Che-Yi Chu, Meng-Zhe Chen, Wun-Hong Li, Jing-Cherng Tsai, Hsin-Lung Chen
Summary: The morphology and crystallization behavior of binary blends of two crystalline-amorphous diblock copolymers with stereoisomeric crystalline blocks were studied, revealing local demixing between iPP and sPP chains in the blend and the formation of defective crystalline domains.
POLYMER CRYSTALLIZATION
(2021)
Article
Chemistry, Physical
Bradley W. Mansel, Chun-Jen Su, Chun-Yu Chen, Chih-Mei Young, Yen-Chih Huang, Cheng-Che Yang, Hsin-Lung Chen
Summary: The study found that a positively charged PAMAM dendrimer could induce electrostatic compaction of double stranded DNA, resulting in unique DNA mesophases with different superhelix arrangements. The valency of the counterion used to charge the dendrimer was found to influence the curvature and organization of the formed structures.
Article
Chemistry, Physical
Chih-Mei Young, Chia Lun Chang, Yu-Hsiang Chen, Chun-Yu Chen, Yu-Fan Chang, Hsin-Lung Chen
Summary: This study demonstrates that a positively charged dendrimer can act as an effective structure-directing agent for the columnar mesophase of anionic surfactants through electrostatic interactions. By adjusting parameters of the electrostatic complexes, different types of 2D columnar mesophases can be formed.
Article
Polymer Science
Nai-Wen Hsu, Babak Nouri, Li-Ting Chen, Hsin-Lung Chen
