Academic Journal

How to Characterize Amorphous Shapes: The Tale of a Reverse Micelle

التفاصيل البيبلوغرافية
العنوان: How to Characterize Amorphous Shapes: The Tale of a Reverse Micelle
المؤلفون: Christopher D. Gale (12003265), Mortaza Derakhshani-Molayousefi (1595248), Nancy E. Levinger (2061352)
سنة النشر: 2022
المجموعة: Smithsonian Institution: Digital Repository
مصطلحات موضوعية: Biophysics, Cell Biology, Neuroscience, Computational Biology, Mathematical Sciences not elsewhere classified, Chemical Sciences not elsewhere classified, Physical Sciences not elsewhere classified, surfactant molecules self, provides unique information, ot reverse micelle, lacks regular structure, experimental studies predict, curvature distribution , although commonly assumed, reverse micelle aerosol, characterize amorphous shapes, simulated aerosol, amorphous shapes, amorphous object, tools needed, pair eccentricity, facilitate ways, established methods, chemical construct
الوصف: Aerosol-OT reverse micelles represent a chemical construct where surfactant molecules self-assemble to stabilize water nanodroplets 1–10 nm in diameter. Although commonly assumed to adopt a spherical shape, all-atom molecular dynamics simulations and some experimental studies predict a nonspherical shape. If these aggregates are not spherical, then what shape do they take? Because the tools needed to evaluate the shape of something that lacks regular structure, order, or symmetry are not well developed, we present a set of three intuitive metricscoordinate-pair eccentricity, convexity, and the curvature distributionthat estimate the shape of an amorphous object, and we demonstrate their use on a simulated aerosol-OT reverse micelle. These metrics are all well-established methods and principles in mathematics, and each provides unique information about the shape. Together, these metrics provide intuitive descriptions of amorphous shapes, facilitate ways to quantify those shapes, and follow their changes over time.
نوع الوثيقة: article in journal/newspaper
اللغة: unknown
Relation: https://figshare.com/articles/journal_contribution/How_to_Characterize_Amorphous_Shapes_The_Tale_of_a_Reverse_Micelle/19071502
DOI: 10.1021/acs.jpcb.1c09439.s001
الاتاحة: https://doi.org/10.1021/acs.jpcb.1c09439.s001
Rights: CC BY-NC 4.0
رقم الانضمام: edsbas.DBD1DF27
قاعدة البيانات: BASE
الوصف
DOI:10.1021/acs.jpcb.1c09439.s001