Review
Chemistry, Multidisciplinary
Jirong Wang, Shaoqiao Li, Qiang Zhao, Changsik Song, Zhigang Xue
Summary: This review summarizes recent advances in high-performance lithium-ion batteries prepared using well-defined polymer electrolytes, discussing ion-transport mechanisms and preparation techniques. The aim of the research is to elucidate the structure code for advanced polymer electrolytes with optimized properties and to discuss existing challenges and future perspectives.
ADVANCED FUNCTIONAL MATERIALS
(2021)
Article
Polymer Science
Edgar Gutierrez-Fernandez, Jing Cui, Daniel E. Martinez-Tong, Aurora Nogales
Summary: Water-based functional polymer inks were prepared using various solvent displacement methods, including nanoparticles prepared by miniemulsion and nanoprecipitation techniques. The properties of the inks obtained by each technique were discussed, with an example of a semiconducting/ferroelectric polymer coating presented.
Review
Chemistry, Applied
Peter Zugenmaier
Summary: The structure determination of cellulose is an important part in the history of polymer science, with detailed knowledge of the structure leading to improved physical properties. Research started in 1913 and continued until the proposal of realistic structures of cellulose in the 1970s, discussing different crystal structure units and various structural models suggested over time.
CARBOHYDRATE POLYMERS
(2021)
Article
Polymer Science
Petr Lepcio, Frantisek Ondreas, Klara Zarybnicka, Marek Zboncak, Juraj Svatik, Josef Jancar
Summary: In this study, the role of solvent in nanoparticle ordering in polymer melts was introduced into the existing PRISM theory for the first time. The theoretical prediction was compared to experimentally prepared structures, and a united phase diagram for both melt and solution blended PNCs with bare non-grafted NPs was presented.
Article
Biochemistry & Molecular Biology
Satoshi Nogami, Kazunori Kadota, Hiromasa Uchiyama, Hiroshi Arima-Osonoi, Hiroki Iwase, Taiki Tominaga, Takeshi Yamada, Shin-ichi Takata, Mitsuhiro Shibayama, Yuichi Tozuka
Summary: The study investigated the thermal-and pH-dependent gelation behavior of gelatin/HPMCP blends using UV spectrophotometry, viscoelasticity, and DLS. Lisinopril release from the gels can be inhibited at low pH due to HPMCP aggregation. pH significantly affected the transparency of HPMCP systems and gelatin/HPMCP gels, with differences in viscoelastic patterns observed at different pH levels.
INTERNATIONAL JOURNAL OF BIOLOGICAL MACROMOLECULES
(2021)
Article
Polymer Science
Shintaro Nakagawa, Naoko Yoshie
Summary: A structurally controlled polymer gel was synthesized by end-linking a monodisperse star polymer with bottlebrush arms grafted with side chains. The method allowed for precise tuning of essential structural parameters across the entire polymer network, facilitating the development of soft materials with desired mechanical responses. The elasticity study on the polymer gel suggested a uniform network structure.
Article
Chemistry, Multidisciplinary
H. Meng, Q. Wu
Summary: In this study, a simple surfactant-assisted approach was used to synthesize PDVB nanofibers with different morphologies and dimensions, showing potential applications in various fields requiring nanomaterials and nanofibers.
MATERIALS TODAY CHEMISTRY
(2021)
Article
Chemistry, Physical
Song Wang, Xiewen Wu, Jing Fang, Feng Zhang, Yanli Liu, Hongbo Liu, Yu He, Min Luo, Run Li
Summary: The design of a highly efficient polymer photo catalyst is crucial for photo-biocatalysis in a polymer-enzyme coupled system, providing a valuable platform for pharmaceutical and fine chemical synthesis. However, current polymers have limitations in terms of water wettability, visible light absorption, and recombination rate of photoinduced electron/hole pairs, which hinders their application in photo-biocatalysis.
Article
Engineering, Aerospace
Jin Ho Kang, Jeffrey A. Hinkley, Keith L. Gordon, Sheila A. Thibeault, Robert G. Bryant, Juan M. Fernandez, W. Keats Wilkie, Hector E. Diaz Morales, Donovan E. Mcgruder, Ray S. Peterson, Charlotte J. Brandenburg, Evin L. Hill, Nina R. Arcot
Summary: The study evaluated the viscoelastic properties of candidate commercial polymers for deployable boom structures of solar sails. Results showed that a bismaleimide (BMI) exhibited less stress relaxation compared to the baseline novolac epoxy, leading to a 44% improvement in resistance to relaxation in carbon fiber composites fabricated with the BMI resin.
ADVANCES IN SPACE RESEARCH
(2021)
Article
Polymer Science
Chao Liu, Hua-Long Zhang, Wen Xu, Cai-Yuan Pan, Chun-Yan Hong
Summary: A multicyclic polymer with a hyperbranched structure was successfully synthesized by initiating the ATRP of styrene with a tailored initiator. The obtained hyperbranched multicyclic polymer contained an average of 47 cyclic units and was prepared via a series of reactions including click reaction and UV-induced coupling reaction.
Article
Chemistry, Multidisciplinary
Abu Raihan Sarkar, Suman Pal, Ankan Kumar Sarkar, Nikhil R. Jana
Summary: A colloidal nanoparticle form of hemin with intact catalytic performance and high cellular uptake properties is reported in this study. The designed nanoparticles can enter cells, generate oxidative stress, and induce autophagy.
NEW JOURNAL OF CHEMISTRY
(2022)
Article
Chemistry, Physical
Aravinda Munasinghe, Akash Mathavan, Akshay Mathavan, Ping Lin, Coray M. Colina
Summary: This study investigated the impact of different PEGylation schemes on BSA using molecular dynamics simulations, revealing that high grafting density conjugates promote stronger protein-polymer interactions. Nonlinear polymer architectures showed variability in stability and conformation characteristics, with different effects observed in POEGMA containing short oligomer PEG chains.
JOURNAL OF CHEMICAL PHYSICS
(2021)
Article
Chemistry, Physical
Elena Buratti, Letizia Tavagnacco, Marco Zanatta, Ester Chiessi, Sara Buoso, Silvia Franco, Barbara Ruzicka, Roberta Angelini, Andrea Orecchini, Monica Bertoldo, Emanuela Zaccarelli
Summary: This study investigates the interactions between poly(N-isopropylacrylamide) (PNIPAM) and water, and explores the effect of different topological structures on solution behavior using differential scanning calorimetry and dynamic light scattering experiments. The findings demonstrate that microgels are more effective at preventing water crystallization compared to linear chains.
JOURNAL OF MOLECULAR LIQUIDS
(2022)
Article
Chemistry, Multidisciplinary
Yutong Pi, Linxia Cui, Wenhao Luo, Haitao Li, Yanfu Ma, Na Ta, Xinyao Wang, Rui Gao, Dan Wang, Qihua Yang, Jian Liu
Summary: This study reports a method for designing hollow nanoreactors with hollow multishelled structure and spatially loaded metal nanoparticles. The combination of delicate nanoarchitecture and spatially loaded metal nanoparticles endows the nanoreactors with high catalytic activity and selectivity in catalytic semihydrogenation reactions.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
(2023)
Article
Polymer Science
Marion Brosset, Laurent Herrmann, Celine Kiefer, Thierry Falher, Martin Brinkmann
Summary: High temperature rubbing is a fast and low-cost method to align semi-crystalline polymers like poly(lactic acid) (PLA). The rubbing temperature and film thickness play key roles in controlling the polymer's structure. Different polymorphs can be obtained by rubbing PLLA films at different temperatures, while pure oriented crystalline SC-PLA films can be achieved by rubbing at higher temperature.
JOURNAL OF APPLIED POLYMER SCIENCE
(2023)
Article
Polymer Science
Pablo Miguel Ramos, Miguel Herranz, Katerina Foteinopoulou, Nikos Ch. Karayiannis, Manuel Laso
Summary: Through Monte Carlo simulations, the study investigates the heterogeneous crystallization of linear chains of tangent hard spheres under confinement in one dimension. The research focuses on the quantification of local structure and the distinction between bulk crystallization and projected surface crystallization. The simulation results reveal the competition between crystal nucleation and the formation of sites of a fivefold local symmetry.
Article
Biochemistry & Molecular Biology
Miguel Herranz, Daniel Martinez-Fernandez, Pablo Miguel Ramos, Katerina Foteinopoulou, Nikos Ch. Karayiannis, Manuel Laso
Summary: Simu-D is a software suite designed for simulating and identifying local structures of atomistic systems in extreme conditions, focusing on polymer-based systems with various Monte Carlo algorithms. It can be a useful tool for modeling entropy- and energy-driven phase transitions, adsorption, and self-organization of polymer-based systems under different conditions.
INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES
(2021)
Article
Chemistry, Physical
Pablo Miguel Ramos, Miguel Herranz, Daniel Martinez-Fernandez, Katerina Foteinopoulou, Manuel Laso, Nikos Ch. Karayiannis
Summary: This study presents extensive Monte Carlo simulations on the crystallization of athermal polymers under full confinement, analyzing the competition between bulk crystallization and surface crystallization. The research found that confinement inside a cube favors the growth of hexagonal close-packed crystals, leading to the formation of noncompact ordered motifs that grow from the surface to the inner volume of the simulation cell. Additionally, significant differences were observed between 2D and 3D crystals formed by monomeric hard spheres under the same simulation conditions.
JOURNAL OF PHYSICAL CHEMISTRY B
(2022)
Article
Polymer Science
Miguel Herranz, Katerina Foteinopoulou, Nikos Ch Karayiannis, Manuel Laso
Summary: Polymorphism and perfection were observed in the spontaneous crystallization of freely jointed polymers of hard spheres through a long Monte Carlo simulation. The system initially adopted the HCP polymorph, followed by a transition to rHCP morphology, and eventually crystallized into a highly perfect FCC crystal. Despite significant local rearrangements, the average chain size remained unchanged during crystallization, and the polymers in the crystal exhibited ideal random walk statistics.
Article
Chemistry, Physical
Clara Pedrosa, Daniel Martinez-Fernandez, Miguel Herranz, Katerina Foteinopoulou, Nikos Ch Karayiannis, Manuel Laso
Summary: The density of packing dense objects, particles, atoms, and molecules is closely related to the properties of the hosts and macrosystems. Through Monte Carlo simulations, we found that linear, freely jointed chains of hard spheres can be packed as efficiently as monomeric analogs. The resulting packed structure forms an almost perfect hexagonal triangular crystal with chain monomers occupying the lattice sites. The Flory scaling exponent for this packing has a value of ?=0.62, indicating an intermediate density between compact and self-avoiding random walk states.
JOURNAL OF CHEMICAL PHYSICS
(2023)
Article
Crystallography
Javier Benito, Unai Urrutia, Nikos Ch. Karayiannis, Manuel Laso
Summary: Recent simulation studies have revealed distinct crystal polymorphs encountered in the self-organization of polymer systems. This analysis based on self-avoiding random walks (SAWs) calculates the entropy difference of crystals formed during polymer crystallization and predicts their thermodynamic stability. The research explains the observed trends in terms of the geometric constraints and bending/torsion angles of the crystal lattice.
Article
Physics, Fluids & Plasmas
Miguel Herranz, Clara Pedrosa, Daniel Martinez-Fernandez, Katerina Foteinopoulou, Nikos Ch. Karayiannis, Manuel Laso
Summary: Through extensive molecular simulations, the phase diagram of attractive, fully flexible polymer chains in two and three dimensions is determined. Various crystal morphologies, including face-centered cubic, hexagonal close packed, simple hexagonal, body-centered cubic crystals and the Frank-Kasper phase are observed in three dimensions, while triangular and square crystals dominate in two dimensions. A simple geometric model based on the concept of cumulative neighbors of ideal crystals is proposed to accurately predict most of the observed structures and transitions. The adjustable attraction range serves as a parameter for the design of colloidal polymer crystals with tailored morphologies.
Article
Polymer Science
Miguel Herranz, Javier Benito, Katerina Foteinopoulou, Nikos Ch. Karayiannis, Manuel Laso
Summary: In this study, semianalytical calculations were used to determine the free energy of crystallization of hard sphere polymers and the energy difference between the HCP and FCC polymorphs. The phase transition is driven by an increase in translational entropy that outweighs the loss of conformational entropy. The HCP polymorph has a slight conformational entropic advantage over the FCC polymorph, but the larger translational entropic advantage of the FCC crystal makes it the stable one.
Article
Polymer Science
Daniel Martinez-Fernandez, Miguel Herranz, Katerina Foteinopoulou, Nikos Ch. Karayiannis, Manuel Laso
Summary: The local and global order in dense packings of linear, semi-flexible polymers of tangent hard spheres are studied using extensive Monte Carlo simulations. The study focuses on the effect of packing density and chain stiffness on the self-organization of chains at both local and global levels. The results provide a complete phase diagram showing various crystal morphologies and mesophases as a function of packing density and equilibrium bending angle.
