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Digital strategies to improve the product quality and production efficiency of fluorinated polymers: 2. Heat removal performance of reactor with internal and external cooling systems

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React. Chem. Eng., 2024, Advance Article
DOI: 10.1039/D4RE00203B, Paper
Xi-Bao Zhang, Yin-Ning Zhou, Hao Chen, Zheng-Hong Luo, Liyang Zhou, Guojun Yu, Wenwu Liu, Shiping Zhu
A reactor's heat transfer efficiency can be significantly enhanced and the fluid temperature uniformity can be controlled through introducing cooling water in the agitator and regulating the flow ratio of cooling water in the agitator and jacket.
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One-pot enzymatic synthesis of L-5-methyltetrahydrofolate from folic acid using enzyme cascades

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React. Chem. Eng., 2024, Advance Article
DOI: 10.1039/D4RE00237G, Communication
Linjiang Zhu, Yuxin Wang, Linyan Pan, Enyong Lin, Jiayan Wang, Xiaolong Chen
A simple and cost-effective one-pot three-enzyme cascade reaction for high-yield production of L-5-methyltetrahydrofolate, including dihydrofolate reductase, tetrahydrofolate-dependent methyltransferase and alcohol dehydrogenase.
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Technoeconomic analysis of fine chemical electrosynthesis: a case study using electrooxidation of 2-methylnaphthelene to vitamin K3

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React. Chem. Eng., 2024, Advance Article
DOI: 10.1039/D4RE00346B, Paper
Qifeng Yang, Liping Liang, Ning Xu, Yang Li, Zhihui Wang, Dadong Shen, Yiming Mo
A cerium-mediated electrooxidation method was developed for synthesizing vitamin K3 in a green and efficient manner. A systematic technoeconomic analysis was provided to understand its potential for practical implementation.
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Kinetics of the valorization of hexoses with Sn-USY catalysts in methanolic media: glycosidation vs. retroaldol cleavage

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React. Chem. Eng., 2024, Advance Article
DOI: 10.1039/D4RE00307A, Paper
Open Access
  This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.
J. M. Jimenez-Martin, M. El Tawil-Lucas, C. García-Jerez, J. Moreno, A. García, B. Hernández, J. Iglesias
Two operational regions in the transformation of hexoses have been revealed by experimental and kinetic analysis: glycosidation and retroaldol cleavage at low and high temperatures, respectively.
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Evaluating metal-free quaternized boronate esters as efficient catalysts for the fixation of CO2 with epoxides to form cyclic carbonates under suitable conditions

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React. Chem. Eng., 2024, 9,2938-2953
DOI: 10.1039/D4RE00282B, Paper
Eyyup Yasar, Emine Aytar, Ahmet Kilic
The conversion of CO2 into high value-added chemicals is receiving increasing attention from the scientific community, commercial enterprises, and policymakers due to environmental problems like global warming.
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Propane dehydrogenation on an extra-framework and framework-embedded metal site within ZSM-5 zeolite from first-principles microkinetic simulations

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React. Chem. Eng., 2024, 9,2892-2901
DOI: 10.1039/D4RE00269E, Paper
Yujue Du, Wende Hu, Yunlei Chen, Chuanming Wang, Weimin Yang
The Lewis acid sites in ZSM-5 zeolite involving Co, Ni, and Cu cations were computationally studied on the stability and the PDH catalytic activity.
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Kinetics of thermal dry reforming of methane for syngas production and solid carbon capture

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React. Chem. Eng., 2024, 9,2902-2914
DOI: 10.1039/D4RE00312H, Paper
Open Access
  This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.
Manas Mokashi, Akash Bhimrao Shirsath, Sinan Demir, Ahmet Çelik, Patrick Lott, Steffen Tischer, Olaf Deutschmann
By combining numerical simulations and experiments, catalyst-free thermal dry reforming of biogas for sustainable syngas production and solid carbon capture is investigated under industrially viable conditions.
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Combination of near-infrared spectroscopy and a transient flow method for efficient kinetic analysis of the Claisen rearrangement

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React. Chem. Eng., 2024, 9,2975-2983
DOI: 10.1039/D4RE00301B, Paper
Yoshihiro Takebayashi, Kiwamu Sue, Sho Kataoka
An automated flow reactor with a rapid inline monitoring using a compact near-infrared spectrometer and a flow rate ramp control enabled high-density kinetic data acquisition.
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Optimization of reaction parameters for the synthesis of natural aroma esters by factorial design

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React. Chem. Eng., 2024, 9,2994-3002
DOI: 10.1039/D4RE00265B, Paper
Open Access
Adrian Ioan Dudu, Csaba Paizs, Monica Ioana Toşa
In this study, the synthesis of aroma esters by the direct esterfication of carboxylic acids with aromatic alcohols mediated by lipase B from Candida antarctica encapsulated in a sol–gel matrix in a solvent-free system is presented.
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Closed-loop identification of enzyme kinetics applying model-based design of experiments

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React. Chem. Eng., 2024, 9,2984-2993
DOI: 10.1039/D4RE00127C, Paper
Leon Hennecke, Lucas Schaare, Mirko Skiborowski, Andreas Liese
This study presents an automated reactor platform for the identification of enzyme kinetic models using model-based design of experiments on the example of the reduction of NAD+ by formate dehydrogenase from Candida boidinii.
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Review of hydrogen ortho–para conversion: experimental data and reaction kinetics

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React. Chem. Eng., 2024, 9,2846-2862
DOI: 10.1039/D4RE00259H, Review Article
Fuyu Jiao, Saif Al Ghafri, Keelan T. O'Neill, Paul S. Stanwix, Guinevere M. Sellner, Einar O. Fridjonsson, Neil Robinson, Eric F. May, Michael L. Johns
This work reviews ortho–para hydrogen conversion data for various types of catalysts at cryogenic temperatures and evaluates different reaction kinetic expressions employed to describe these experimental data.
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“25 years of The Netherlands' Catalysis and Chemistry Conference (NCCC)” themed collection – A personal invitation Aromatization of n-alkanes: a mini review on catalysts and reactants

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React. Chem. Eng., 2024, Accepted Manuscript
DOI: 10.1039/D4RE00384E, Minireview
Open Access
  This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.
Hongqi Wang, Raveendran N. Shiju
The catalytic aromatization of n-alkanes is an important process in the chemical industry, especially for the production of valued-added aromatics from the abundant and unreactive small alkanes. This mini review...
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Transesterification or polymerization? Reaction mechanism and kinetics of 2-(diethylamino)ethyl methacrylate with methanol and the competitive effect on free-radical polymerization

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React. Chem. Eng., 2024, Advance Article
DOI: 10.1039/D4RE00406J, Paper
Judith Cabello-Romero, Román Torres-Lubián, Javier Francisco Enríquez-Medrano, Adrián Ochoa-Terán, Jesús Jara-Cortés, Iván Zapata-González
Transesterification of 2-(diethylamino)ethyl methacrylate (DEAEMA) with methanol leads to the formation of methyl methacrylate (MMA) and amino alcohol. This reaction significantly affects DEAEMA polymerization giving rise to poly(DEAEMA-co-MMA).
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Unveiling the dynamic CO2 capture performance of MgO promoted with molten salts and CaCO3 via fixed bed reactor experiments

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React. Chem. Eng., 2024, Advance Article
DOI: 10.1039/D4RE00432A, Paper
Open Access
Theodoros Papalas, Andy N. Antzaras, Angeliki A. Lemonidou
MgO promoted with molten alkali salts and CaCO3 displayed efficient CO2 capture activity in a fixed bed reactor, attaining 75% CO2 removal at 275 °C and stable cyclic performance, with the promoters providing an alternative carbonation mechanism.
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Synthesis of ethylphenols and xanthenes via reaction of calcium carbide and phenol: experimental and theoretical studies

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React. Chem. Eng., 2024, Advance Article
DOI: 10.1039/D4RE00397G, Paper
Xin Liu, Yuxin Yan, Zhenyu Liu, Qingya Liu
A novel synthesis of xanthenes and ethylphenols by the reaction of phenol with CaC2 without catalysts and solvents.
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Nickel foam supported biochar doped Ni–Mo bimetallic oxide for supercapacitor application

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React. Chem. Eng., 2024, Advance Article
DOI: 10.1039/D4RE00471J, Paper
Zhongxin Jin, Kaijia Hu, Feng Lin, Siqi Liu, Ruining Gu, Wei Zhang, Siyu Liu, Caiying Li, Hongyang Liao, Xinping Cai, Haijun Pang, Chunjing Zhang, Huiyuan Ma
A novel C-MoO3-NiO2/NF electrode derived from polyoxometalate and rice is obtained and provides a new strategy for the development of high-performance supercapacitors.
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Trapping bond exchange phenomenon revealed for off-stoichiometry cross-linking of phase-separated vitrimer-like materials

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Soft Matter, 2024, 20,2961-2968
DOI: 10.1039/D4SM00074A, Paper
Takumi Kito, Mikihiro Hayashi
Unusual relaxation and creep properties by the trapping bond exchange phenomenon is revealed for vitrimer-like materials with bond exchangeable domains of quaternized pyridines, in the special case of off- stoichiometric cross-linking condition.
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Motion of microswimmers in cylindrical microchannels

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Soft Matter, 2024, 20,3007-3020
DOI: 10.1039/D3SM01480K, Paper
Open Access
  This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.
Florian A. Overberg, Gerhard Gompper, Dmitry A. Fedosov
Microswimmers in confinement slow down, and can exert pulling or pushing forces in particular at the end of a closed channel. Simulations and approximate theoretical calculation for the squirmer model are employed to predict this behavior.
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Self-adhesion of uncrosslinked poly(butadiene-co-acrylonitrile), i.e. nitrile rubber, an inhomogeneous and associative polymer

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Soft Matter, 2024, 20,2978-2985
DOI: 10.1039/D3SM01630G, Paper
Valentine Hervio, Annie Brûlet, Costantino Creton, Gabriel E. Sanoja
The precursor of NBR, poly(acrylonitrile-co-butadiene), experiences thermodynamic forces for self-assembly and kinetic barriers for processing. We introduce three strategies to overcome such barriers and enable polymer self-adhesion in the bulk.
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Hydrodynamically induced aggregation of two dimensional oriented active particles

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Soft Matter, 2024, Advance Article
DOI: 10.1039/D3SM01670F, Paper
Open Access
  This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.
Roee Bashan, Naomi Oppenheimer
We show that in many cases aligned active particles in a two-dimensional fluid attract and form fractal-like clusters.
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A bio-inspired co-simulation crawling robot enabled by a carbon dot-doped dielectric elastomer

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Soft Matter, 2024, Advance Article
DOI: 10.1039/D4SM00029C, Paper
Yubing Han, Bori Shi, En Xie, Peng Huang, Yaozhong Zhou, Chang Xue, Weijia Wen, Huayan Pu, Mengying Zhang, Jinbo Wu
The introduction of NCDs@SiO2 cluster particles not only improves the mechanical and dielectric properties of an elastomer but also exhibits fluorescence and actuation response under the co-stimulation of UV and electricity, respectively.
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The fractal geometry of polymeric materials surfaces: surface area and fractal length scales

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Soft Matter, 2024, 20,3082-3096
DOI: 10.1039/D3SM01497E, Paper
Open Access
  This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.
H. Eduardo Roman, Federico Cesura, Rabia Maryam, Igor Levchenko, Katia Alexander, Claudia Riccardi
Non-treated (NT) and plasma-treated (PT) polymeric surfaces display self-affine fractal scaling. The plasma increases both the surface area and the fractal length scales, helping the design of PT interfaces with larger surface areas at the nm scale.
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Surfactant-induced alterations in optoelectronic properties of perylene diimide dyes: modulating sensing responses in the aqueous environment

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Soft Matter, 2024, 20,3044-3052
DOI: 10.1039/D3SM01694C, Paper
Animesh Pal, Nilanjan Dey
The compartmentalization effect of microheterogeneous systems, like surfactant aggregates, showcases altered optoelectronic properties of a perylene diimide-based chromogenic dye (PDI-Ala) compared to bulk water.
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Self-assembly of rod–coil–rod block copolymers in a coil-selective solvent: coarse-grained simulation results

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Soft Matter, 2024, 20,3131-3142
DOI: 10.1039/D4SM00251B, Paper
Chiraz Toujani, Luis A. Padilla, Nour Alhraki, Su-Mi Hur, Abelardo Ramírez-Hernández
Parameters that govern the self assembly of a symmetric triblock copolymer.
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Axonal tension contributes to consistent fold placement

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Soft Matter, 2024, 20,3053-3065
DOI: 10.1039/D4SM00129J, Paper
Open Access
Xincheng Wang, Shuolun Wang, Maria A. Holland
We propose a novel bilayer finite element model incorporating axonal tension in the subcortex. Our results reveal that axonal tension serves as a perturbation that triggers folding and determines the placement of folds.
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Mechanical guidance to self-organization and pattern formation of stem cells

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Soft Matter, 2024, Advance Article
DOI: 10.1039/D4SM00172A, Paper
Wei-Hua Zhou, Lin-Ru Qiao, She-Juan Xie, Zhuo Chang, Xu Yin, Guang-Kui Xu
We introduce a mechanical model based on the dynamic balance between cell-ECM-culture environment, and demonstrate that it can capture specific phenomena in stem cell pattern formation experiments guided by geometric constraints.
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A computational study of cell membrane damage and intracellular delivery in a cross-slot microchannel

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Soft Matter, 2024, Advance Article
DOI: 10.1039/D4SM00047A, Paper
Open Access
  This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.
Ruixin Lu, Peng Yu, Yi Sui
The inertial effect increases the cell deformation and membrane damage in the channel cross-slot; however, the enhancement can be reversed by the cell membrane viscosity.
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Divergent self-assembly propensity of enantiomeric phenylalanine amphiphiles that undergo pH-induced nanofiber-to-nanoglobule conversion

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Soft Matter, 2024, Advance Article
DOI: 10.1039/D4SM00117F, Paper
Manas Kumar Pradhan, Nayanika Misra, Fathima Sahala, Nyaya Prakash Pradhan, Aasheesh Srivastava
Enantiomeric single phenylalanine derivatives demonstrate very different self-assembling propensity and thermodynamic parameters associated with self-assembly.
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Adsorption of semiflexible wormlike polymers to a bar and their double-chain complex formation

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Soft Matter, 2024, Advance Article
DOI: 10.1039/D4SM00188E, Paper
Open Access
A. N. Semenov, I. A. Nyrkova
The quantitative transfer matrix approach and scaling arguments in terms of trains, loops, tails and supertrains allowed us to characterize the main regimes of semiflexible chain adsorption on a bar and double-chain complex formation.
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A Passive Star Polymer in a Dense Active Bath: Insights from Computer Simulations

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Soft Matter, 2024, Accepted Manuscript
DOI: 10.1039/D4SM00144C, Paper
Ramanand Singh Yadav, Sanaa Sharma, Ralf Metzler, Rajarshi Chakrabarti
Using computer simulations in two dimensions (2D), we explore the structure and dynamics of a star polymer with three arms made of passive monomers immersed in a bath of active...
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Measuring mechanical cues for modeling the stromal matrix in 3D cell cultures

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Soft Matter, 2024, Advance Article
DOI: 10.1039/D3SM01425H, Paper
Open Access
  This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.
Linda Srbova, Ossi Arasalo, Arttu J. Lehtonen, Juho Pokki
An approach to quantify microscale viscoelasticity in breast-cancer-associated stromal tissues was developed for cell-scale analyses of physiologically stiff 3D cell cultures.
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Stable and permeable polyion complex vesicles designed as enzymatic nanoreactors

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Soft Matter, 2024, Advance Article
DOI: 10.1039/D4SM00216D, Paper
Yuting Wan, Yuening Qiu, Jin Zhou, Jinbo Liu, Martien A. Cohen Stuart, Yangfeng Peng, Junyou Wang
Stable and permeable polyion complex vesicles designed as enzymatic nanoreactors.
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Pinning–depinning transition of droplets on inclined substrates with a three-dimensional topographical defect

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Soft Matter, 2024, Advance Article
DOI: 10.1039/D4SM00081A, Paper
Ninad V. Mhatre, Satish Kumar
The influence of defect geometry on the critical inclination angle required for droplet depinning on inclined substrates is studied.
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Avalanche properties at the yielding transition: from externally deformed glasses to active systems

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Soft Matter, 2024, Advance Article
DOI: 10.1039/D3SM01354E, Paper
Open Access
Carlos Villarroel, Gustavo Düring
We investigated the yielding phenomenon under different scenarios of deformation in the quasistatic limit using numerical simulations of soft particles.
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Hydrogen bonding enhanced drug–polymer interaction for efficient drug loading and delivery

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Soft Matter, 2024, Advance Article
DOI: 10.1039/D4SM00003J, Communication
Xiaotian Qu, Junran Li, Yishu Yu, Jie Yang
A carrier design strategy of hydrogen bonding enhanced drug–carrier interaction is developed to prepare a polymeric nanomedicine with high drug loading content and superb loading efficiency as well as tunable nanostructures.
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Temperature dependence of micelle shape transitions in copolymer solutions: the role of inter-block incompatibility

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Soft Matter, 2024, Advance Article
DOI: 10.1039/D4SM00331D, Paper
Open Access
  This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.
M. J. Greenall, M. J. Derry
The incompatibility of the blocks in a copolymer strongly affects the temperature dependence of the micelle shape transitions in solution.
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The interplay of chirality and restricted rotation: stabilisation of chiral, frustrated mesophases over a wide thermal range

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Soft Matter, 2024, Advance Article
DOI: 10.1039/D4SM00126E, Paper
Sachin A. Bhat, Channabasaveshwara V. Yelamaggad
Chiral dimers formed by linking cholesterol to phenyl 3-(4-(n-alkoxy)phenyl)propiolate via ω-oxyalkanoyloxy spacer exhibit odd–even effect, stabilizing SmA, N*, BPI/II, & TGBC* phases. TGBC* phase width increases with longer terminal tails.
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Morphology of Impact Polypropylene Copolymer Extruded Cast Film Revealed by Confocal Raman Imaging

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Soft Matter, 2024, Accepted Manuscript
DOI: 10.1039/D4SM00156G, Paper
Chunbo Zhang, Meng Xu, Minqiao Ren, Hongwei Shi, Guoming Liu, Juan Li, Xuanbo Liu, Longgui Zhang, Dali Gao
An impact polypropylene copolymer (IPC), composed of polypropylene (PP) and ethylene-propylene copolymer (EPC), was synthesized through two-stage in-reactor polymerization. A systematic investigation of the crystalline structure, thermal behavior, morphology, and...
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Dynamics and phase behavior of metallo-dielectric rod-shaped microswimmers driven by Alternating Current electric field

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Soft Matter, 2024, Accepted Manuscript
DOI: 10.1039/D4SM00206G, Paper
Suvendu Kumar Panda, Srikanta Debata, Nomaan Alam Kherani, Dhruv Pratap Singh
The ability to move and self-organize in response to external stimuli is a fascinating feature of living active matter. Here, the metallo-dielectric rod-shaped microswimmers are shown to have a similar...
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A mean-field theory for predicting single polymer collapse induced by neutral crowders

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Soft Matter, 2024, 20,3271-3282
DOI: 10.1039/D3SM01522J, Paper
Quentin Chaboche, Gerardo Campos-Villalobos, Giuliana Giunta, Marjolein Dijkstra, Marco Cosentino Lagomarsino, Vittore F. Scolari
Depletion forces arising from molecular crowding compact single polymers. Simulations lead to a unified description. Collapse is governed by the packing fraction of crowders and the ratio of crowder to monomer size, and can be hindered by jamming.
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Bending creep behaviour of various polymer films analysed by surface strain measurement

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Soft Matter, 2024, 20,3248-3255
DOI: 10.1039/D3SM01566A, Paper
Jiayi Yu, Masayuki Kishino, Kyohei Hisano, Atsushi Shishido
Polymer films subjected to a static bending state exhibit temporal strain increase due to their viscoelastic nature. We quantitatively measured the surface strain change in various polymer films in real time and gained insights into the occurrence of this phenomenon.
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Achieving controllable and reversible snap-through in pre-strained strips of liquid crystalline elastomers

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Soft Matter, 2024, 20,3256-3270
DOI: 10.1039/D4SM00037D, Paper
Open Access
James T. Waters, Anna C. Balazs
Deformable, elastic materials that buckle in response to external stimuli can display “snap-through”, which involves a transition between different, stable buckled states.
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Effects of shear-induced crystallization on the complex viscosity of lamellar-structured concentrated surfactant solutions

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Soft Matter, 2024, 20,3299-3312
DOI: 10.1039/D3SM01198D, Paper
Open Access
  This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.
Parth U. Kelkar, Matthew Kaboolian, Ria D. Corder, Marco Caggioni, Seth Lindberg, Kendra A. Erk
Material relationships at low temperatures were determined for concentrated surfactant solutions using a combination of rheological experiments, cross-polarized microscopy, calorimetry, and small angle X-ray scattering.
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Cosolvent incorporation modulates the thermal and structural response of PNIPAM/silyl methacrylate copolymers

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Soft Matter, 2024, 20,3322-3336
DOI: 10.1039/D4SM00246F, Paper
Jason D. Linn, Fabian A. Rodriguez, Michelle A. Calabrese
The nanoscale structure formation and optical response of aqueous thermoresponsive polymers with reactive silane groups can be widely tuned via polymer architecture and organic cosolvent incorporation.
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Interaction between stabilized droplets of different phases in the same continuous phase of an aqueous three-phase system

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Soft Matter, 2024, 20,3359-3366
DOI: 10.1039/D3SM01688A, Paper
Do-Nhu-Trang Nguyen, Léa Waldmann, Valérie Ravaine, Taco Nicolai, Lazhar Benyahia
Janus-like droplets, covered with microgel, formed after the fusion of gelatin and dextran droplets in a common poly(ethylene oxide) phase.
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Particle-based and continuum models for confined nematics in two dimensions

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Soft Matter, 2024, Advance Article
DOI: 10.1039/D3SM01684F, Paper
Humberto Híjar, Apala Majumdar
Particle-based mesoscopic simulations conduct 2D nematics confined in polygons through consistent defect annihilation dynamics and produce unstable structures that transform into equilibrium textures predicted by the Landau-de Gennes theory.
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Angle-resolved optical spectroscopy of photonic cellulose nanocrystal films reveals the influence of additives on the mechanism of kinetic arrest

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Soft Matter, 2024, Advance Article
DOI: 10.1039/D4SM00155A, Paper
Open Access
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Thomas G. Parton, Richard M. Parker, Sonja Osbild, Silvia Vignolini, Bruno Frka-Petesic
Photonic films produced by cellulose nanocrystal self-assembly offer a sustainable source of colouration. Their angular optical response reveals the suspension conditions at kinetic arrest and how common additives affect this liquid–solid transition.
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The sweetest polymer nanoparticles: opportunities ahead for glycogen in nanomedicine

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Soft Matter, 2024, Advance Article
DOI: 10.1039/D4SM00261J, Perspective
Open Access
  This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.
Quinn A. Besford
Glycogen is a biomaterial nanoparticle composed of sugar. In this perspective, the opportunities of glycogen in nanomedicine going forward is discussed.
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A viscosity measurement technique for ultra-low sample volumes

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Soft Matter, 2024, Accepted Manuscript
DOI: 10.1039/D4SM00050A, Paper
Mahrukh A Mir, Mahesh S. Tirumkudulu
We describe a unique method to measure the viscosity of liquids based on the fluid mechanics of thin films. A drop of sample is spread over a substrate by contacting...
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Collective behavior of squirmers in thin films

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Soft Matter, 2024, Advance Article
DOI: 10.1039/D4SM00075G, Paper
Open Access
  This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.
Bohan Wu-Zhang, Dmitry A. Fedosov, Gerhard Gompper
The collective behavior of microswimmers in confinement depends on their shape, hydrodynamic interactions, and interactions with confining walls. We use simulations of two layers of spheroidal squirmers in a slit to characterize their behavior for various volume fractions and squirmer types.
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