Results 41 to 50 of about 34,840 (283)
Molecular recognition at interfaces. Adhesion, wetting and bond scrambling
Frontiers in Chemistry, 2022 The quantitative description of the supramolecular interaction occurring at the adhesion surfaces of different polymers has enabled elaborate dissections of contributions to cohesive and surface energies. An alternative analysis is proposed here based on
Alberto Ciferri
doaj +1 more source
Self-assembly of a model supramolecular polymer studied by replica exchange with solute tempering [PDF]
, 2017 Conventional molecular-dynamics (cMD) simulation has a well-known limitation in accessible time and length scales, and thus various enhanced sampling techniques have been proposed to alleviate the problem. In this paper we explore the utility of replica exchange with solute tempering (REST) (i.e., a variant of Hamiltonian replica exchange methods) to ...
arxiv +1 more source
Toward Design Principles for Biomolecular Condensates for Metabolic Pathways
Advanced Biology, EarlyView.Biomolecular condensates are membrane‐less compartments found through‐out nature which can serve as reaction crucibles for biochemical processes. This review explores the design strategies underlying how condensates can be used in biotechnology to enhance multistep enzyme cascades including enhancement by mass action and substrate channeling, and ...
Alain A.M. André +3 more
wiley +1 more source
A study of the morphology, dynamics, and folding pathways of ring polymers with supramolecular topological constraints using molecular simulation and nonlinear manifold learning [PDF]
, 2017 Ring polymers are prevalent in natural and engineered systems, including circular bacterial DNA, crown ethers for cation chelation, and mechanical nanoswitches. The morphology and dynamics of ring polymers are governed by the chemistry and degree of polymerization of the ring, and intramolecular and supramolecular topological constraints such as knots ...
arxiv +1 more source
Advanced Functional Materials, EarlyView.Dynamic linkages are highly attractive in preparing single crystals of covalent organic polymers (COPs). Here, single crystals of two COPs CityU‐15 and CityU‐16 based on reversible B─N bonds are constructed using tetra(4‐pyridyl)tetrathiafulvalene and tetra(4‐pyridyl)porphine as monomers.
Xin Wang +7 more
wiley +1 more source
Transitioning from Supramolecular Chemistry to Molecularly Imprinted Polymers in Chemical Sensing
Sensors, 2023 This perspective article focuses on the overwhelming significance of molecular recognition in biological processes and its emulation in synthetic molecules and polymers for chemical sensing.
Adnan Mujahid +2 more
doaj +1 more source
Advanced Functional Materials, EarlyView.PBTTT‐OR‐R, a C14‐alkoxy/alkyl‐PBTTT polymer derivative, is of substantial interest for optoelectronics due to its specific fullerene intercalation behavior and enhanced charge‐transfer absorption. Comparing this polymer with (S) and without (O) homocoupling defects reveals that PBTTT‐OR‐R(O) forms stable co‐crystals with PC61BM, while PBTTT‐OR‐R(S ...
Zhen Liu +14 more
wiley +1 more source
Advances in self-healing supramolecular soft materials and nanocomposites
Nano Convergence, 2019 The ability to rationally tune and add new end-groups in polymers can lead to transformative advances in emerging self-healing materials. Self-healing networks manipulated by supramolecular strategies such as hydrogen bonding and metal coordination have ...
Gurunathan Thangavel +2 more
doaj +1 more source
Random, blocky and alternating ordering in supramolecular polymers of chemically bidisperse monomers [PDF]
J. Chem. Phys. 137 (6), 064906 (2012), 2011 As a first step to understanding the role of molecular or chemical polydispersity in self-assembly, we put forward a coarse-grained model that describes the spontaneous formation of quasi-linear polymers in solutions containing two self-assembling species.
arxiv +1 more source
Advanced Functional Materials, EarlyView.In this study, the interplay of dipolar dynamics and ionic charge transport in MOF compounds is investigated. Synthesizing the novel structure CFA‐25 with integrated freely rotating dipolar groups, local and macroscopic effects, including interactions with Cs cations are explored.
Ralph Freund +6 more
wiley +1 more source