Article
Chemistry, Applied
Xiaofei Li, Chuo Guo, Xi Yang, Yurong Guo
Summary: In this study, the researchers investigated the structural evolution process of mixed gels prepared using caseins and methylcellulose by inducing gelation with glucono-8-lactone. They observed a transition in the gel structure from a casein dominant network to a water-in-water emulsion structure with increasing methylcellulose concentration. Further additions of methylcellulose led to significant phase separation. The study used a combination of confocal laser scanning microscope and rheological studies to explore the formation mechanism of the mixed gels.
Article
Polymer Science
Mohammed Ali Al Assiri, Eric Gomez Urreizti, Carlo Andrea Pagnacco, Estibaliz Gonzalez de San Roman, Fabienne Barroso-Bujans
Summary: B(C6F5)3 is a strong electrophilic catalyst that promotes the ring-opening polymerization of various epoxides. This synthetic route is a viable strategy for the generation of cyclic polyethers. A systematic study on the polymerization of glycidol with B(C6F5)3 revealed an abrupt chain growth at high monomer conversions. The formation of branched cyclic polyglycidols was observed, which exhibited lower glass transition temperatures compared to linear polyglycidols.
EUROPEAN POLYMER JOURNAL
(2022)
Article
Engineering, Electrical & Electronic
Pritam Kumar Gayen
Summary: This paper proposes a hybrid process for estimating rotor speed and position for the doubly-fed induction generator (DFIG). The method has improved characteristics including parameter independence and reduced number of sensors compared to existing schemes. The proposed estimator achieves cost-effectiveness, reliability, and compactness by reducing physical elements and parameter dependency. Experimental results demonstrate the superiority of the proposed estimation scheme compared to other state-of-the-art techniques.
IEEE TRANSACTIONS ON INSTRUMENTATION AND MEASUREMENT
(2023)
Article
Engineering, Chemical
Yishu Yan, Junbo Xu, Shenglan Liu, Min Wang, Chao Yang
Summary: Using ReaxFF molecular dynamics, the thermostability of cross-linked and non-cross-linked phenolic was compared to study the effect of cross-linked and branched structures on the pyrolysis mechanism. The results indicate that phenolic tends to break into low-boiling molecules with less than 4 carbon atoms and polymerizes into macromolecules with more than 1500 carbon atoms during pyrolysis. The findings suggest that phenolic resin with high degree of crosslinking and branching has better thermostability and preserves its carbon skeleton more effectively.
CHEMICAL ENGINEERING SCIENCE
(2023)
Article
Polymer Science
Savannah R. Cassin, Sean Flynn, Pierre Chambon, Steve P. Rannard
Summary: This article introduces a new synthesis strategy, using transfer-dominated branching radical telomerisation (TBRT), to form branched statistical copolymers with step-growth backbone chemistries through free radical reactions, resulting in new materials with tunable physical properties.
Article
Polymer Science
Ayano Ishida, Shunichi Fujii, Akifumi Sumida, Tasuku Kamitani, Saori Minami, Kenji Urayama, Hiroaki Imoto, Kensuke Naka
Summary: This study focuses on the comparison between polymers incorporating phenyl-substituted DDSQ and isobutyl-substituted T-8 units in their main chain, revealing the significant influence of different substituent types on solubility and organogel formation ability of the polymers.
Article
Green & Sustainable Science & Technology
Kiattikhoon Phuakpunk, Benjapon Chalermsinsuwan, Suttichai Assabumrungrat
Summary: The study aimed to develop a proper kinetics investigation method for pyrolysis reaction and compared three favorite model-free methods, showing that using Friedman method parameters in a conversion range of 0.1-0.6 gave conversion curves mostly in good agreement with experimental results. Mixing different biomasses showed varying effects on activation energy in different temperature ranges.
Article
Engineering, Manufacturing
Marshall Johnson, Kevin Garanger, James O. Hardin, J. Daniel Berrigan, Eric Feron, Surya R. Kalidindi
Summary: This study introduces an image analysis tool that can classify different print designs, and is compatible with various printing processes and environments. It can be incorporated into a fully automated workflow to facilitate rapid autonomous process parameter discovery and deeper scientific understanding.
ADDITIVE MANUFACTURING
(2021)
Article
Computer Science, Information Systems
Paul Baumgartner, Anna Masiero, Christian Riener, Thomas Bauernfeind
Summary: Estimating the coupling properties between a radiating structure and other conductive elements is essential in understanding the field behavior of the radiating source. This work presents a Poynting-vector-based approach to classify and visualize the field behavior around simple radiators using numerical simulations, and predicts the coupling behavior in practical applications.
Article
Computer Science, Interdisciplinary Applications
Masatoshi Shimoda, Yang Liu, Mamoru Wakasa
Summary: This paper proposes a parameter-free optimization method for controlling the time-dependent response of frame structures, and validates its effectiveness through several numerical design examples.
STRUCTURAL AND MULTIDISCIPLINARY OPTIMIZATION
(2021)
Article
Engineering, Chemical
Fengyuan Zhang, Xiaolin Wang, Bo Wang, Xia Lou, Wojciech Lipinski
Summary: The effect of surfactants on the kinetics of carbon dioxide hydrate formation in silica gel nanopores was studied experimentally and numerically. The results showed that surfactants can enhance the reaction rate and save time, but they can also hinder gas diffusion and increase water consumption due to capillary effect.
CHEMICAL ENGINEERING SCIENCE
(2022)
Article
Engineering, Electrical & Electronic
Xiaofeng Dong, Hui Li
Summary: A direct deadbeat prediction control method is proposed for SiC grid-tied inverters in this article to improve stability and reduce control challenges. By predicting grid voltage without voltage sensor and removing PLL, the proposed control can enhance control robustness. The stability of the proposed control method is proved based on the Lyapunov stability theory and can also significantly mitigate inrush current during LVRT.
IEEE TRANSACTIONS ON POWER ELECTRONICS
(2023)
Article
Materials Science, Multidisciplinary
Salman Khoshk Rish, Arash Tahmasebi, Rou Wang, Jinxiao Dou, Jianglong Yu
Summary: The catalytic graphitization of biomass-based carbon has been used to synthesize graphene nanostructures with exceptional electrochemical properties. Understanding the impact of different parameters on the low-temperature catalytic graphitization of activated carbon is crucial for improving the structural properties of the resulting material. Experimental results indicate that dissolution-precipitation and metal-induced graphitization are the primary mechanisms under which graphitized carbon is formed.
DIAMOND AND RELATED MATERIALS
(2021)
Article
Mathematics, Applied
Olga Mazur, Leonid Stefanovich
Summary: The study on the kinetics of domain structure formation in ferro-electrics undergoing first order phase transitions under the influence of hydrostatic pressure showed that mechanical action increases the tendency of nonequilibrium systems to form stable structures. Numerical analysis revealed that domain ordering can occur directly or with the formation of short-lived metastable polydomain phases. Additionally, the time to reach thermodynamic equilibrium was found to be inversely proportional to the pressure value.
PHYSICA D-NONLINEAR PHENOMENA
(2021)
Article
Biochemistry & Molecular Biology
Nerea Guembe-Michel, Adrian Duran, Rafael Sirera, Gustavo Gonzalez-Gaitano
Summary: In this study, a kinetic mechanism describing the formation of Pseudopolyrotaxanes (PPRs) in the solid phase was proposed, and the effects of working variables on the reaction kinetics were investigated. The vibrational changes during the threading stage and the characteristic reflections in the X-ray diffraction patterns of the crystalline PPRs were observed using Fourier-transform infrared attenuated total reflection spectroscopy and XRD, respectively. The temperature, feed ratio, molar mass of the polymer, and the introduction of an amorphous block in the polymer structure were found to influence the kinetics of the reaction.
INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES
(2022)
Article
Chemistry, Multidisciplinary
Xhorxhina Shaulli, Rodrigo Rivas-Barbosa, Maxime J. Bergman, Chi Zhang, Nicoletta Gnan, Frank Scheffold, Emanuela Zaccarelli
Summary: Super-resolution microscopy is used to investigate the internal structure of microgels and their response to temperature changes. The study combines direct stochastic optical reconstruction microscopy and molecular dynamics simulations to analyze the behavior of microgels on hydrophilic and hydrophobic surfaces. The results provide important insights for using this technique in studying more complex systems.
Article
Materials Science, Paper & Wood
Arianna Rossetti, Alessandro Paciaroni, Barbara Rossi, Cettina Bottari, Lucia Comez, Silvia Corezzi, Lucio Melone, Laszlo Almasy, Carlo Punta, Andrea Fiorati
Summary: Hydrogels made from renewable biopolymers and low-cost row materials have gained attention in biomedical applications. In this study, the sol-gel transition of TEMPO-oxidized nano-sized cellulose fibrils (TOCNFs) in the presence of polyvalent cations (Mg2+ and Ca2+) was investigated using multiple techniques. The results showed that ion concentration induced anisotropic swelling and increased flexibility in the nanofibrils, and the flexibility was also affected by the concentration of TOCNFs and the pH value. UV Resonant Raman spectroscopy revealed the structural organization and hydrogen-bonding properties of water in TOCNF dispersions and gels.
Article
Chemistry, Physical
Valerio Sorichetti, Andrea Ninarello, Jose Ruiz-Franco, Virginie Hugouvieux, Emanuela Zaccarelli, Cristian Micheletti, Walter Kob, Lorenzo Rovigatti
Summary: We used simulations to self-assemble polymer networks with a mixture of bivalent and tri- or tetravalent patchy particles, resulting in an exponential strand length distribution similar to experimental cross-linked systems. The fractal structure of the network depends on the assembly number density, but systems with the same mean valence and assembly density have the same structural properties. We also examined the dynamics of long strands using the tube model and found a relation between the localization lengths and shear modulus.
JOURNAL OF CHEMICAL PHYSICS
(2023)
Article
Materials Science, Multidisciplinary
Bradley Duncan, Robert D. Weeks, Benjamin Barclay, Devon Beck, Patrick Bluem, Roberto Rojas, Maxwell Plaut, John Russo, Sebastien G. M. Uzel, Jennifer A. Lewis, Theodore Fedynyshyn
Summary: In this study, low-loss graded dielectric materials were successfully designed and printed using active mixing of nanocomposite inks. This method enables the rapid fabrication of high-performance RF devices with locally tunable dielectric properties.
ADVANCED MATERIALS TECHNOLOGIES
(2023)
Article
Chemistry, Multidisciplinary
Fabian Hagemans, Fabrizio Camerin, Nabanita Hazra, Janik Lammertz, Frederic Dux, Giovanni Del Monte, Olli-Ville Laukkanen, Jerome J. Crassous, Emanuela Zaccarelli, Walter Richtering
Summary: Hollow microgels are interesting model systems that can deform, interpenetrate, and shrink under certain conditions. In this study, microgels with a micrometer-sized cavity were characterized using fluorescence microscopy techniques. It was found that these microgels reversibly buckle above a critical osmotic pressure, unlike smaller hollow microgels which deswell at high volume fractions. Simulations confirmed the buckling transition and suggested that a thin shell model theory can describe the behavior of these microgels. The microgels, referred to as microgel capsules, can be used to probe interfacial properties and mimic anisotropic responsive biological systems.
Article
Chemistry, Physical
Camilla Beneduce, Diogo E. P. Pinto, Petr Sulc, Francesco Sciortino, John Russo
Summary: This study investigates the nucleation process of a binary mixture of patchy particles designed to nucleate into a diamond lattice. By combining Gibbs-ensemble simulations and direct nucleation simulations, the role of the liquid-gas metastable phase diagram on the nucleation process is revealed. The strongest enhancement of crystallization is found to occur at an azeotropic point with the same stoichiometric composition of the crystal.
JOURNAL OF CHEMICAL PHYSICS
(2023)
Article
Chemistry, Physical
Fergus Moore, John Russo, Tanniemola B. B. Liverpool, C. Patrick Royall
Summary: In this study, the structural and dynamical properties of active Brownian particles (ABPs) in random environments are explored. It is found that confinement increases the heterogeneity of the dynamics, resulting in the appearance of new populations of absorbed and localized particles near the obstacles. This heterogeneity has a profound impact on the motility induced phase separation exhibited by the particles at high activity, ranging from nucleation and growth in random disorder to a complex phase separation in porous environments.
JOURNAL OF CHEMICAL PHYSICS
(2023)
Editorial Material
Chemistry, Physical
Michele Ceriotti, Lasse Jensen, David E. Manolopoulos, Todd Martinez, David R. Reichman, Francesco Sciortino, C. David Sherrill, Qiang Shi, Carlos Vega, Lai-Sheng Wang, Emily A. Weiss, Xiaoyang Zhu, Jenny Stein, Tianquan Lian
JOURNAL OF CHEMICAL PHYSICS
(2023)
Article
Chemistry, Physical
Francesco Guidarelli Mattioli, Francesco Sciortino, John Russo
Summary: We propose a new neural network potential that incorporates atomic fingerprints based on both two- and three-body contributions. These fingerprints probe distances and local orientational order. The training process of the proposed potential is simplified by using a small set of tunable parameters for the fingerprints. This approach improves the overall accuracy of the network representation and successfully reproduces the behavior of the mW model of water.
JOURNAL OF CHEMICAL PHYSICS
(2023)
Article
Chemistry, Physical
Francesco Guidarelli Mattioli, Francesco Sciortino, John Russo
Summary: Neural network potentials (NNPs) are increasingly used to study long time scale processes, such as crystal nucleation. It is unclear whether NN potentials trained on equilibrium liquid states can accurately describe nucleation processes. In this study, a NNP trained on a classical three-body potential for water accurately reproduces nucleation rates and free energy barriers, supporting the use of NNPs for studying nucleation events.
JOURNAL OF PHYSICAL CHEMISTRY B
(2023)
Article
Medicine, Research & Experimental
Nicholas Skar-Gislinge, Fabrizio Camerin, Anna Stradner, Emanuela Zaccarelli, Peter Schurtenberger
Summary: Monoclonal antibody solutions have the potential to become an important therapeutic tool in the future. However, formulating stable solutions suitable for patient self-administration presents challenges due to viscosity increase at high concentrations. Through the characterization of clusters, we establish a link between microscopic molecular details and the properties of antibody solutions. Our findings provide insights into the self-assembly of monoclonal antibodies, which can guide the formulation of stable and effective solutions.
MOLECULAR PHARMACEUTICS
(2023)
Article
Physics, Multidisciplinary
Fabio Leoni, Fausto Martelli, C. Patrick Royall, John Russo
Summary: Glasses obtained from vapor deposition on a cold substrate have superior thermodynamic and kinetic stability compared to ordinary glasses due to the presence of locally favored structures (LFSs) that enhance stability near the free surface. Molecular dynamics simulations reveal that the occurrence of LFSs correlates with the stability of vapor deposited glasses, reaching a maximum at the optimal deposition temperature.
PHYSICAL REVIEW LETTERS
(2023)
Article
Multidisciplinary Sciences
Diogo E. P. Pinto, Petr Sulc, Francesco Sciortino, John Russo
Summary: The control over self-assembly of complex structures, particularly at the colloidal scale, has been a significant challenge in material science. The formation of amorphous aggregates often disrupts the desired assembly pathway. In this study, we investigate the self-assembly problem of three Archimedean shells using patchy particles as model building blocks. By recasting the assembly problem as a Boolean satisfiability problem, we find effective designs and selectively suppress unwanted structures.
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA
(2023)
Article
Chemistry, Physical
Jose Ruiz-Franco, Rodrigo Rivas-Barbosa, Mayra A. A. Lara-Pena, Jose R. Villanueva-Valencia, Angel Licea-Claverie, Emanuela Zaccarelli, Marco Laurati
Summary: We investigated the interactions and inter-particle arrangements of concentrated dispersions of PNIPAM-PEGMA microgels during the volume phase transition. The scattering data of moderately concentrated dispersions were accurately modeled using a star polymer form factor and static structure factors calculated from simulations. The presence of charges in the system due to the use of an ionic initiator in the synthesis caused the radius of gyration and blob size of the particles to decrease with increasing effective packing fraction below the VPT temperature.
Article
Materials Science, Multidisciplinary
I. Maccari, Bal K. Pokharel, J. Terzic, J. Jesudasan, Surajit Dutta, Pratap Raychaudhuri, J. Lorenzana, C. De Michele, C. Castellani, L. Benfatto, Dragana Popovic
Summary: In a two-dimensional superconducting vortex lattice, melting from solid to isotropic liquid occurs via an intermediate phase with orientational correlations. The impact of such correlations on transport and their interaction with quenched disorder are still unknown.
Article
Chemistry, Physical
Yiping Yin, Zhe Wang, Hua Zou
Summary: This study presents a novel method for preparing dimpled polymer-silica nanocomposite particles using interfacial swelling-based seeded polymerization. The optimized conditions allow for a relatively high percentage of dimpled particles to be achieved.
Article
Chemistry, Physical
Brenden D. Hoehn, Elizabeth A. Kellstedt, Marc A. Hillmyer
Summary: Porous materials with nanometer-scale pores have important applications as nanoporous membranes. In this study, ABA triblock copolymers were used as precursors to produce nanoporous polymeric membranes (NPMs) in thin film form by degrading the end blocks. Polycyclooctene (PCOE) NPMs with tunable pore sizes were successfully prepared using solvent casting technique. Oxygen plasma etching was employed to improve the surface porosity and hydrophilicity of the membranes. This study provides a straightforward method to produce tough NPMs with high porosity and hydrophilic surface properties.
Article
Chemistry, Physical
Vladislav S. Petrovskii, Stepan I. Zholudev, Igor I. Potemkin
Summary: This article investigates the behavior of linear and ring polypeptide chains in aqueous solution and explores the properties of the complexes formed by these chains with oppositely charged surfactants. The results demonstrate that the complexes of linear supercharged unfolded polypeptides and the corresponding surfactants exhibit impressive adhesive properties.
Article
Chemistry, Physical
Merve Cevik, Serkan Dikici
Summary: Cardiovascular diseases are a leading cause of death globally, and vascular grafts are a promising treatment option. This study focuses on tissue-engineered vascular grafts (TEVGs) using decellularized parsley stems as a potential biomaterial. The decellularized parsley stems showed suitable properties for TEVGs, providing a suitable environment for human endothelial cells to form a pseudo endothelium. This study showcases the potential of using parsley stems for TEVGs.
Article
Chemistry, Physical
Gustavo A. Vasquez-Montoya, Tadej Emersic, Noe Atzin, Antonio Tavera-Vazquez, Ali Mozaffari, Rui Zhang, Orlando Guzman, Alexey Snezhko, Paul F. Nealey, Juan J. de Pablo
Summary: The optical properties of liquid crystals are typically controlled by electric fields. In this study, we investigate the effects of microfluidic flows and acoustic fields on the molecular orientation and optical response of nematic liquid crystals. We identify several previously unknown structures and explain them through calculations and simulations. These findings hold promise for the development of new systems combining sound, flow, and confinement.
Article
Chemistry, Physical
Xinjun Wu, Xin Guan, Shushu Chen, Jiangpeng Jia, Chongyi Chen, Jiawei Zhang, Chuanzhuang Zhao
Summary: This research presents a novel shape memory hydrogel with a remodelable permanent shape and programmable cold-induced shape recovery behavior. The hydrogel is prepared using specific treatment methods to achieve shape fixation by heating and shape recovery by cooling. Additionally, deformable devices can be obtained by assembling hydrogel blocks with different concentrations.
Article
Chemistry, Physical
Rebecca Hengsbach, Gerhard Fink, Ulrich Simon
Summary: This study examines the properties of DNA functionalized pNipmam microgels and pure pNipmam microgels at different concentrations of sodium chloride and in PBS solutions using temperature dependent H-1-NMR measurements. The results show that DNA modification affects the volume phase transition temperature and the addition of salt and PBS further enhances this effect.
Article
Chemistry, Physical
Ningyi Li, Junhong Li, Lijingting Qing, Shicheng Ma, Yao Li, Baohui Li
Summary: This paper investigates the self-assembly behavior of colloids with competing interactions under spherical confinement and finds that different ordered structures can be formed under different sized spherical confinements. Moreover, more perforated structures are formed in smaller spheres.
