We study a simple bead-spring polymer model exhibiting competing crystallization and glass transitions. Constant-pressure molecular dynamics simulations are employed to study phase behavior and morphological order. For adequately slow quench rates, chain systems exhibit a first-order phase transition (crystallization) below a critical temperature T=T(cryst). We observe the formation of close-packed crystallites of FCC and/or HCP order, separated by domain walls, twin defects, and amorphous regions. Such crystal structures closely resemble the corresponding ordered morphologies of athermal polymer packings: fully flexible chains retain random-walk-like configurations in the crystalline state and do not form lamellae, while semiflexible chains do form lamellae. The model presented here is well suited to the modeling of granular and colloidal polymers, in particular for elucidating the factors that dictate the formation of specific ordered morphologies.
Download full-text PDF |
Source |
---|---|
http://dx.doi.org/10.1103/PhysRevE.88.012601 | DOI Listing |
Int J Nanomedicine
January 2025
Department of Pharmaceutics, Faculty of Pharmacy, Northern Border University, Arar, Saudi Arabia.
Introduction: Rhein, a natural bioactive lipophilic compound with numerous pharmacological activities, faces limitations in clinical application due to poor aqueous solubility and low bioavailability. Thus, this study aimed to develop a rhein-loaded self-nano emulsifying drug delivery system (RL-SNEDDS) to improve solubility and bioavailability.
Methods: The RL-SNEDDS was prepared by aqueous titration method with eucalyptus oil (oil phase), tween 80 (surfactant), and PEG 400 (co-surfactant) and optimization was performed by 3 factorial design.
Inorg Chem
January 2025
Key Laboratory of Applied Surface and Colloid Chemistry (MOE), School of Chemistry & Chemical Engineering, Shaanxi Normal University, Xi'an, Shaanxi 710062, China.
Fluorescent metal-organic frameworks (MOFs) are promising sensing materials that have received much attention in recent years, in which the organic ligand conformation changes usually lead to variations of their sensing behavior. Based on this, in the present work, perylene diimide (PDI) derivatives with excellent photochemical properties closely related to their conformation and molecule packing fashion were selected as organic linkers to detect sarin simulant diethyl chlorophosphate (DCP). By the coordination interactions with large lanthanide cations through terminal carboxylate groups from the PDI derivative, a series of one-dimensional coordination polymers, named [Ln(PDICl-2COO)(μ-O)(DMF)] (SNNU-112, Ln = Yb/Tb/Sm/Nd/Pr/Gd/Eu/Er/Ce, PDICl-2COOH = ,'-bis(4-benzoic acid)-1,2,6,7-tetrachlorohydrazone-3,4,9,10-tetracarboxylic acid diimide) were synthesized.
View Article and Find Full Text PDFAnal Chim Acta
February 2025
Department of Chemistry and Centre of Advanced Studies in Chemistry, Panjab University, Chandigarh, 160014, India; Department of Applied Chemistry, Maulana Abul Kalam Azad University of Technology, Simhat, Haringhata, West Bengal, 741249, India. Electronic address:
Background: The intellectual progress in fabricating artificial probes for selective appraisal of biologically admissible amino acids has displayed exponential growth in recent era.The neoteric era in material science has witnessed the significant application of carbon quantum dots (CQDs). However, the hybrid microgel of CQDs was less explored.
View Article and Find Full Text PDFAnal Chim Acta
February 2025
Key Laboratory of Optic-Electric Sensing and Analytical Chemistry for Life Science, MOE, Shandong Key Laboratory of Biochemical Analysis, College of Chemistry and Molecular Engineering, Qingdao University of Science and Technology, Qingdao, 266042, China. Electronic address:
The accurate and reliable quantification of the levels of disease markers in human sweat is of significance for health monitoring through wearable sensing technology, but the sensors performed in real sweat always suffer from biofouling that cause performance degradation or even malfunction. We herein developed a wearable antifouling electrochemical sensor based on a novel multifunctional hydrogel for the detection of targets in sweat. The integration of polyethylene glycol (PEG) into the sulfobetaine methacrylate (SBMA) hydrogel results in a robust network structure characterized by abundant hydrophilic groups on its surface, significantly enhancing the PEG-SBMA hydrogel's antifouling and mechanical properties.
View Article and Find Full Text PDFJ Colloid Interface Sci
January 2025
College of Chemistry, Soochow University, Suzhou 215123, PR China. Electronic address:
In the manipulation of π-conjugated organic polymer, strategic alterations to the polymerization cascade facilitate the integration of donor (D) and acceptor (A) entities within the polymer's backbone. Such control is instrumental in broadening the photoresponse spectrum, enhancing photoinduced charge separation, and augmenting the efficiency of charge transfer processes. The oxygen-containing amino group (-ONH) was innovatively grafted into the polymerization process of the triazine-heptazine ring skeleton, and the -ONH was used as a capping agent to change the chain bonding in the polymerization process, thus a new intramolecular D-A structure was successfully constructed.
View Article and Find Full Text PDFEnter search terms and have AI summaries delivered each week - change queries or unsubscribe any time!