Secondary-structure phase formation for semiflexible polymers by bifurcation in hyperphase space
文献信息
Michael Bachmann
Canonical analysis has long been the primary analysis method for studies of phase transitions. However, this approach is not sensitive enough if transition signals are too close in temperature space. The recently introduced generalized microcanonical inflection-point analysis method not only enables the systematic identification and classification of transitions in systems of any size, but it can also distinguish transitions that standard canonical analysis cannot resolve. By applying this method to a generic coarse-grained model for semiflexible polymers, we identify a mixed structural phase dominated by secondary structures such as hairpins and loops that originates from a bifurcation in the hyperspace spanned by inverse temperature and bending stiffness. This intermediate phase, which is embraced by the well-known random-coil and toroidal phases, is testimony to the necessity of balancing entropic variability and energetic stability in functional macromolecules under physiological conditions.
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Physical Chemistry Chemical Physics

Physical Chemistry Chemical Physics (PCCP) is an international journal co-owned by 19 physical chemistry and physics societies from around the world. This journal publishes original, cutting-edge research in physical chemistry, chemical physics and biophysical chemistry. To be suitable for publication in PCCP, articles must include significant innovation and/or insight into physical chemistry; this is the most important criterion that reviewers and Editors will judge against when evaluating submissions. The journal has a broad scope and welcomes contributions spanning experiment, theory, computation and data science. Topical coverage includes spectroscopy, dynamics, kinetics, statistical mechanics, thermodynamics, electrochemistry, catalysis, surface science, quantum mechanics, quantum computing and machine learning. Interdisciplinary research areas such as polymers and soft matter, materials, nanoscience, energy, surfaces/interfaces, and biophysical chemistry are welcomed if they demonstrate significant innovation and/or insight into physical chemistry. Joined experimental/theoretical studies are particularly appreciated when complementary and based on up-to-date approaches.











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