Review
Physics, Condensed Matter
Sriram Krishnamurthy, Remya Ann Mathews Kalapurakal, Ethayaraja Mani
Summary: This review highlights recent advances in computer simulations of colloidal self-assembly driven by anisotropic or orientation-dependent inter-particle interactions and discusses key challenges and opportunities in this field.
JOURNAL OF PHYSICS-CONDENSED MATTER
(2022)
Article
Physics, Multidisciplinary
Tine Curk, Erik Luijten
Summary: Nanoparticles in solution acquire charge through surface groups, requiring the use of charge-regulating boundary conditions for proper description of electrostatic interactions. A hybrid Monte Carlo/molecular dynamics scheme is implemented to dynamically adjust charges of surface groups, qualitatively changing self-assembled structures. The conventional constant-charge approximation may be used under certain conditions, and the interplay between charge regulation and dielectric polarization is clarified.
PHYSICAL REVIEW LETTERS
(2021)
Article
Polymer Science
Rajdeep Singh Payal, Jens-Uwe Sommer
Summary: Through molecular dynamics simulations, we found that under weak extension, the crystallization of polymer melts can lead to an increase in stem length, despite the mechanical work on the system being much smaller compared to the heat of fusion.
Article
Chemistry, Physical
Nicholas C. Craven, Justin B. Gilmer, Caroline J. Spindel, Andrew Z. Summers, Christopher R. Iacovella, Clare McCabe
Summary: This study utilizes molecular dynamics simulations to investigate the self-assembly of anisotropically coated patchy nanoparticles, revealing different phases formed based on various parameters. Correlation analysis identifies key predictors of bulk phase behavior, offering a powerful approach for future screening of these materials.
JOURNAL OF CHEMICAL PHYSICS
(2021)
Review
Polymer Science
Boyang Shi, Ding Shen, Wei Li, Guowei Wang
Summary: The self-assembly of copolymers containing crystallizable blocks in solution has gained increasing attention in recent years. Various strategies and advanced applications have been developed and explored. This review provides a comprehensive overview of the synthetic strategies, mechanisms, characteristics, and advanced applications of crystalline nano-assemblies in recent years, with the aim of promoting the development of self-assembly technology in interdisciplinary fields.
MACROMOLECULAR RAPID COMMUNICATIONS
(2022)
Article
Chemistry, Multidisciplinary
Jan-Michael Y. Carrillo, Zhan Chen, Uvinduni I. Premadasa, Christian Steinmetz, E. Bryan Coughlin, Benjamin Doughty, Thomas P. Russell, Bobby G. Sumpter
Summary: By conducting experimental and simulation studies, this research addresses the issues of assembly, reconfiguration, and equilibrium conformation of charged star block copolymers at the oil-water interface, with implications for the development of novel surfactants or amphiphiles.
Review
Polymer Science
Lieihn Tsaur, Ulrich B. B. Wiesner
Summary: This article introduces the applications of porous polymer-derived membranes and the combination of block copolymer self-assembly with the non-equilibrium phase inversion technique to overcome performance tradeoffs. It reports recent advances in understanding the structural evolution of SNIPS-derived systems and the application of SNIPS to multicomponent systems. It also provides perspectives on future directions for both single-component and multicomponent membrane materials.
Article
Polymer Science
Artem Petrov, Alexander V. Chertovich, Alexey A. Gavrilov
Summary: This study obtained phase diagrams of atom transfer radical polymerization-induced self-assembly (ATRP PISA) through simulations and investigated the influence of ATRP's chemical nature on the self-assembly of diblock copolymers. It was found that chain growth termination via recombination played a key role in determining the ATRP PISA phase diagrams, and a dependence of aggregate morphology on concentration was observed.
Article
Chemistry, Multidisciplinary
Xiao-Qiao Xie, Yunfei Zhang, Yujia Liang, Mengke Wang, Yihan Cui, Jingjing Li, Chun-Sen Liu
Summary: By using boronic ester based dynamic covalent chemistry and coupling it with an internal pH feedback system, a new chemically fueled reaction network for non-equilibrium supramolecular chiral G-quadruplex hydrogels with programmable lifetimes has been developed. The system exhibits high transparency, conductivity, excellent injectability, and rapid self-healing properties.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
(2022)
Article
Multidisciplinary Sciences
Alexander Hensley, William M. Jacobs, W. Benjamin Rogers
Summary: DNA-coated colloids can self-assemble into various crystal structures, and we have used microfluidics to quantify the kinetics of crystallization. Our study shows that classical theories can accurately predict nucleation and growth rates, and we have successfully designed large single crystals with specific structural coloration.
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA
(2022)
Review
Biotechnology & Applied Microbiology
Yongfang Zheng, Kejing Mao, Shixian Chen, Hu Zhu
Summary: Peptide assembly structures can form various highly ordered supramolecular architectures, and the design of peptide structures needs to consider factors such as amino acid sequence and chirality. Alteration in chirality can regulate the structure and bioactivity of peptide assemblies.
FRONTIERS IN BIOENGINEERING AND BIOTECHNOLOGY
(2021)
Article
Chemistry, Multidisciplinary
John E. Carpenter, Michael Grunwald
Summary: Kinetics plays a crucial role in the crystallization of molecules, with the current focus of computational methods being on thermodynamically stable polymorphs. However, neglecting kinetic factors of nucleation and growth can hinder accurate predictions. Research has shown that under high supersaturation conditions, crystal formation can be accurately predicted by considering similarities between oligomeric species in solution and molecular motifs in the crystal structure. Additionally, in the case of racemic mixtures, it has been found that knowledge of crystal free energies is not necessary and kinetic considerations alone are sufficient to determine if chiral separation will occur spontaneously.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
(2021)
Article
Chemistry, Physical
Vidhi Jain, Vashishtha B. Patel, Beena Singh, Dharmesh Varade
Summary: Microfluidics is a promising field with wide applications, providing fine control over particle size and speed in micro- and nanoscale self-assembled systems. It is a powerful tool for controlling physical and chemical properties of fluids and governing self-assembly processes, with potential impacts in various industries.
JOURNAL OF MOLECULAR LIQUIDS
(2022)
Article
Polymer Science
Guojun Luo, Bowen Zhang, Pengjian Gong, Yanhua Niu, Guangxian Li
Summary: This study investigated the self-assembly phenomenon of nucleator DCHT in isotactic polypropylene from the perspective of sublimation and condensation. A correlation between T-c of iPP and T-f was constructed, showing a V shape phenomenon with DCHT concentration dependence. A phase diagram distinguishing assembly structures of DCHT and a schematic condensation mechanism were proposed. Rheology results provided indirect evidence of the condensation process with two steps observed.
Article
Biotechnology & Applied Microbiology
Tuo-Di Zhang, Liang-Liang Chen, Wen-Juan Lin, Wen-Pu Shi, Jia-Qi Wang, Chen-Yan Zhang, Wei-Hong Guo, Xudong Deng, Da-Chuan Yin
Summary: The study explored the possibility of applying protein crystallization screening techniques to self-assembly conditions. The results demonstrated that this method is fast, high throughput, easily implemented in an automated system, and features low protein consumption. This suggests that such strategy can be applied to routine research of protein self-assembly to find new conditions or forms.
APPLIED MICROBIOLOGY AND BIOTECHNOLOGY
(2021)
Article
Polymer Science
Siraphat Weerathaworn, Volker Abetz
Summary: This study focuses on the synthesis of narrow disperse di- and triblock copolymers and their modification and cross-linking to produce vitrimers with excellent thermal and mechanical properties. The characteristic properties of these vitrimers can be adjusted by different types and amounts of diamines. Due to the thermoreversible nature of the transamination reaction, these vitrimers are reprocessable and recyclable materials.
MACROMOLECULAR CHEMISTRY AND PHYSICS
(2023)
Article
Polymer Science
Sascha Benedict Lemich, Nils Sobania, Nils-Felix Meyer, Patrick Schuetz, Birgit Hankiewicz, Volker Abetz
Summary: This article introduces an in situ approach for synthesizing multiresponsive Au@Polymer hybrid systems using a tailor-made P(DMAEMA) precursor. The photoiniferter RAFT mechanism is applied for the polymerization of the precursor, and the influence of different RAFT Z-groups on the solubility of the Au-hybrids is studied. Aging effects and thermoresponsive behavior of the Au-hybrids in an aqueous solution are observed using TEM and DLS analysis, and the influence of free polymer in solution on suspension stability is investigated. The potential applications of the synthesized hybrids in crosslinking and CO2 sensitivity are also discussed.
MACROMOLECULAR CHEMISTRY AND PHYSICS
(2023)
Article
Polymer Science
Aniket Raje, Prokopios Georgopanos, Joachim Koll, Jelena Lillepaerg, Ulrich A. Handge, Volker Abetz
Summary: The study used foam extrusion to produce highly porous foams from a blend of polyethersulfone (PESU) and poly(ethylene glycol) (PEG), reducing the processing temperature by approximately 100°C and achieving energy efficiency and sustainability. The resulting extruded polymer foam had a porosity of approximately 51% and an average foam cell diameter of 5 μm.
Article
Chemistry, Multidisciplinary
Emna Khechine, Sebastian Noack, Helmut Schlaad, Jun Xu, Gunter Reiter, Renate Reiter
Summary: We investigated the hydration state of PEG in PEG-b-PLLA diblock copolymer Langmuir monolayers. Hydrated PEG blocks formed bundles of concentric ring-like filaments, while dehydrated PEG blocks packed into a dense polymer brush. The change in curvature of the filaments provided a means for distinguishing between the hydrated and dehydrated states of PEG.
Article
Polymer Science
Brahim Bessif, Barbara Heck, Thomas Pfohl, Cuong Minh Quoc Le, Abraham Chemtob, Valentina Pirela, Justine Elgoyhen, Radmila Tomovska, Alejandro J. Mueller, Guenter Reiter
Summary: We investigated the crystallization and melting behavior of an alternating copolymer synthesized by photopolymerization. Two melting processes were observed upon increasing temperature, which were related to the formation and disappearance of two crystalline polymorphs. Crystals grew in a radial direction within molten spherulites, suggesting a memory effect of polymer chains. This memory assisted nucleation and enabled the formation of a high-Tm polymorph.
Article
Polymer Science
Aysenur Iscen, Nancy C. Forero-Martinez, Omar Valsson, Kurt Kremer
Summary: In this study, we used atomistic molecular dynamics simulations to investigate the effects of different degradation mechanisms and agents on properties of acrylic polymers found in artists' acrylic paints for the first time. Our simulations suggest that the absorption of VOCs is favorable, and the pollutants can easily diffuse and be emitted back into the environment slightly above glass transition temperature. However, fluctuations in temperature can lead to a glassy state transition, causing a loss of mechanical stability in the material due to the trapped pollutants acting as plasticizers.
Article
Polymer Science
Jinlong Chen, Binghua Wang, Changyu Shen, Jingbo Chen, Guenter Reiter, Bin Zhang
Summary: We present experimental evidence that a solid-solid transformation within a faceted polymer single crystal passes through a transient mesomorphic phase. Real-time atomic force microscopy in tapping mode was used to follow the crystal-crystal transformation in isotactic polybutene-1 (PB-1). Observations showed that the boundary zone between the Form II and Form I crystals exhibited a transient and diffuse character and increased thickness.
Article
Chemistry, Multidisciplinary
Philipp Haida, Suwabun Chirachanchai, Volker Abetz
Summary: This article presents starch-reinforced biobased and biodegradable vinylogous urethane vitrimer composites with high shares of starch, exhibiting recyclable thermosetting properties. The combination of dynamic covalent bonds and biobased raw materials enables the development of new polymers with excellent carbon footprint, mechanical properties, and multiple recycling methods.
ACS SUSTAINABLE CHEMISTRY & ENGINEERING
(2023)
Article
Materials Science, Multidisciplinary
Valentina Pirela, Justine Elgoyhen, Radmila Tomovska, Jaime Martin, Cuong Minh Quoc Le, Abraham Chemtob, Brahim Bessif, Barbara Heck, Guenter Reiter, Alejandro J. Mueller
Summary: A complex crystallization behavior was observed for the alternating copolymer DMDS-alt-DVE synthesized via thiol-ene step-growth polymerization. Understanding the underlying complex crystallization processes of such innovative polythioethers is critical for their application, for example, in polymer coating technologies. The study of polymorphism, crystallization, and morphological differences can have significant implications on mechanical resistance and barrier properties of these polymers.
ACS APPLIED POLYMER MATERIALS
(2023)
Review
Engineering, Chemical
Volker Abetz
Summary: Block copolymers with self-assembled structures offer various opportunities for material separation. Flat and hollow filament membranes with regularly arranged pores can be produced from these block copolymers. The sizes and functionalities of these membranes can be adjusted in different ways, allowing for a wide range of applications in material separation. Moreover, tailor-made amphiphilic block copolymers can be used for specific extraction of substances from aqueous to organic solutions.
CHEMIE INGENIEUR TECHNIK
(2023)
Article
Engineering, Chemical
Hluf Hailu Kinfu, Md. Mushfequr Rahman, Erik Sebastian Schneider, Nicolas Cevallos-Cueva, Volker Abetz
Summary: Thin film composite membranes with high selectivity between organic solutes were prepared using a green synthesis procedure. The membranes contain a metal-polyphenol network and can be fine-tuned for various properties by adjusting the components' ratio. Filtration tests showed good selectivity between different charged dyes and trivalent negatively charged dyes. This work provides an eco-friendly membrane synthesis method for applications in water and wastewater treatment.
JOURNAL OF MEMBRANE SCIENCE
(2023)
Article
Materials Science, Multidisciplinary
Florian C. Klein, Malte Vogt, Volker Abetz
Summary: Bio-based polymer building blocks derived from abundant biomass, such as lignin-derived vanillin, are used to synthesize sustainable high-performance polymers through chemical modifications. The resulting materials, formed by covalent adaptable Schiff base networks, exhibit thermally reprocessable and environmentally friendly properties, without the use of highly toxic amines. By adjusting the composition of the network building blocks, the mechanical and stress-relaxation properties of the materials can be tailored.
MACROMOLECULAR MATERIALS AND ENGINEERING
(2023)
Article
Polymer Science
Lara Hub, Joachim Koll, Maryam Radjabian, Volker Abetz
Summary: Photo-initiated iniferter RAFT polymerization can synthesize polymers in a water-ethanol mixture without the need for external initiators. The influence of light intensity and temperature on polymerizations were investigated and optimized. Well-defined homopolymers of different monomer classes with narrow molecular weight distribution were synthesized in short polymerization times.
Article
Chemistry, Physical
Felix Weissenfeld, Lucia Wesenberg, Masaki Nakahata, Marcus Mueller, Motomu Tanaka
Summary: The interactions between vesicle and substrate were investigated using simulation and experiment. Polyacrylic acid brushes with cysteine side chains were grafted onto planar lipid membranes. The addition of Cd2+ ions compacted the polymer brushes and influenced the adhesion of lipid vesicles. Wetting of the vesicles occurred at [CdCl2] = 0.25 mM. The shape and adhesion of vesicles were quantitatively evaluated, and simulations revealed that wetting sensitivity was dependent on the interaction range.
Article
Engineering, Chemical
Zhenzhen Zhang, Md. Mushfequr Rahman, Ivonne Ternes, Barbara Bajer, Volker Abetz
Summary: This study reports on the development of positively charged isoporous block copolymer nanofiltration membranes with designed soft nanochannels. The membranes were obtained through self-assembly and non-solvent-induced phase separation. A versatile post-modification approach was used to engineer well-defined soft nanochannels. The membranes demonstrated the capability to separate mono-/divalent cations based on their ionic size difference, charge, and energy. The selectivity of the membranes was significantly higher in binary-salt systems compared to single-salt systems. The membranes also showed potential for recovering valuable ionic species from water, such as Mg, which is classified as a critical raw material in Europe.
JOURNAL OF MEMBRANE SCIENCE
(2024)
