3d boron based covalent organic frameworks (Molecular Dynamics Inc)

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Molecular Dynamics Inc 3d boron based covalent organic frameworks
3d Boron Based Covalent Organic Frameworks, supplied by Molecular Dynamics Inc, used in various techniques. Bioz Stars score: 86/100, based on 1 PubMed citations. ZERO BIAS - scores, article reviews, protocol conditions and more
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Average 86 stars, based on 1 article reviews

3d boron based covalent organic frameworks - by Bioz Stars, 2026-11

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Article Title: Reactive Force Field-Based Atomistic Studies Exploring the Effects of h-BN Nanosheets and Water on the Tensile Strength of Sulfonated PEEK for Fuel-Cell Applications
Article Snippet: This study explores the effects of nanoparticles, degree of sulfonation (DS), and hydration on the structural properties of polyether−ether−ketone (PEEK) and sulfonated PEEK (S-PEEK) membranes using molecular dynamics (MD)-based simulations.. The long-term structural durability of hydrocarbon-based proton exchange membranes is critical for their successful commercialization in fuel cell applications.. The incorporation of nanoparticles significantly enhances the mechanical strength of polymer-based membranes.

Article Title: Water-Structure-Specific Entropic Dominance in the Filling of Boron Nitride Nanotubes
Article Snippet: The filling of nanometer and sub-nanometer channels/ tubes with water governs applications ranging from desalination and filtration to nanoscale energy conversion.. Here, we report the most nonintuitive entropy-dominated filling of mildly hydrophilic boron nitride nanotubes (BNNTs) with diameters ranging from 0.85 to 1.69 nm.. For all the BNNT sizes, water inside the BNNT is more stable than water in the bulk.

Article Title: Crystal Growth of hBN from Ni and Ni-Cr Solutions at High N 2 pressure.
Article Snippet: Single crystals of hexagonal BN have been grown from solutions on the surface of Ni−Cr and pure Ni metals under a pressure of N2 gas of 1000−1500 bar.. The transparent and colorless hBN crystals obtained in this study exhibited high structural quality and uniformity as confirmed by micro-Raman mapping, showing less than 8 cm−1 widths of the high-frequency E2g Raman peaks corresponding to the intralayer vibrations of the B and N atoms in hBN.. Optical absorption measurements indicated the indirect character of electronic transitions in bulk hBN.

Article Title: Anisotropy and Hybrid Heterosurface-Modulated Two-Dimensional Hydrogen Bond Network of Water
Article Snippet: Water in Confinement between Nanowalls: Results for Hexagonal Boron Nitride versus Graphene Sheets from Ab Initio Molecular Dynamics.

Adsorption:

Article Title: Photoluminescent BNCQD-Loaded Hydrogels for Real-Time Sensing, pH-Responsive Drug Release, and UV Protection
Article Snippet: The advent of photoluminescent nanocomposites is unlocking paradigms in advanced biosensing, drug delivery, and regenerative medicine.. This research reports a facile one-pot synthesis of phenol-functionalized boron nitride carbon quantum dots (BNCQDs) through both hydrothermal and solvothermal routes, yielding an underexplored class of zero-dimensional nanomaterials with intrinsic bioactive and optical attributes.. Water-derived BNCQDs [BNCQDs(W)] exhibited a blue-green emission (λemission ≈ 510 nm at λexcitation = 420 nm) with nearly twice the photoluminescence intensity of their ethyl alcohol-derived counterparts, excellent thermal endurance with fluorescence retention across wide temperature gradients, and potent antioxidant and antibacterial activity.

Article Title: Adsorption of diclofenac on nanosheet graphene and type-graphene boron nitride: a DFT-ONIOM calculations
Article Snippet: .. In other computational works, the adsorption capacity of three nanosheets, pristine graphene (G), boron nitride (BN), and boron carbon nitride (BNC), has been compared, using small organic molecules as adsorbates through a DFT study [26] and adsorbing the blue methylene dye simultaneously with arsenic (III), applying molecular dynamics [27]; in both studies, the adsorbate molecules were parallel to the plane of the nanosheets, exhibiting weak van der Waals forces and π–π stacking interactions. ..

Diffusion-based Assay:

Article Title: Role of Nanobubble Cavitation in Triggering Drug Release from Boron-Nitride and Carbon Nanocapsules and Their Diffusion for Drug Delivery Applications: A Molecular Dynamics Study.
Article Snippet: .. Role of Nanobubble Cavitation in Triggering Drug Release from Boron-Nitride and Carbon Nanocapsules and Their Diffusion for Drug Delivery Applications: A Molecular Dynamics Study. ..

Functional Assay:

Article Title: Carbon Nitride Nanocomposite-Based Electrochemiluminescence Biosensor Platform for In Vitro Detection of Diabetic Cardiomyopathy Markers
Article Snippet: Diabetic cardiomyopathy (DCM) is a dysregulated metabolic condition linked with diabetes mellitus characterized by hyperglycemia, lactic acidosis, and oxidative stress.. Monitoring these altered metabolisms is crucial for developing targeted therapeutic interventions, as they lead to structural and functional impairments in the heart, ultimately causing cardiac dysfunction.. This cardiac dysfunction is mimicked using H9c2 rat cardiomyoblast cells, which are widely used as an in vitro model to mimic human cardiomyocytes, the muscle cells responsible for heart contraction and blood circulation.

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