Results 61 to 70 of about 42,536 (250)

Molecular Environment Specific Atomic Charges Improve Binding Affinity Predictions of SAMPL5 Host-Guest Systems

open access: yes, 2021
Host-guest systems are widely used in benchmarks as model systems to improve computational methods for absolute binding free energy predictions.
Luis, Macaya   +2 more
core   +1 more source

Interlayer Expansion of Bulk MoS2 via Top‐Down Organic Pillaring Enables Tunable Li+ Intercalation and Controlled Solvent Co‐Intercalation

open access: yesAdvanced Functional Materials, EarlyView.
Top‐down organic pillaring expands the interlayer spacing of bulk‐sized MoS2 particles while preserving the bulk morphology. Operando X‐ray diffraction and electrochemical dilatometry show that MoS2‐bulk undergoes solvent co‐intercalation in diglyme electrolyte, causing large structural expansion, while pillared, expanded MoS2 suppresses solvent uptake
Jaehoon Choi   +8 more
wiley   +1 more source

Tuning light-driven oxidation of styrene inside water-soluble nanocages

open access: yesNature Communications
Selective functionalization of innate sp2 C-H bonds under ambient conditions is a grand synthetic challenge in organic chemistry. Here we combine host-guest charge transfer-based photoredox chemistry with supramolecular nano-confinement to achieve ...
Souvik Ghosal   +3 more
doaj   +1 more source

Fifty years of oxacalix[3]arenes: A review

open access: yesBeilstein Journal of Organic Chemistry, 2012
Hexahomotrioxacalix[3]arenes, commonly called oxacalix[3]arenes, were first reported in 1962. Since then, their chemistry has been expanded to include numerous derivatives and complexes.
Kevin Cottet   +2 more
doaj   +1 more source

Coagulative Granular Hydrogels with an Enzyme Catalyzed Fibrin Network for Endogenous Tissue Regeneration

open access: yesAdvanced Healthcare Materials, EarlyView.
Coagulative granular hydrogels are composed of packed thrombin‐functionalized microgels that catalyze the conversion of fibrinogen into a secondary fibrin network, filling the interstitial voids. This bio‐inspired approach stabilizes the biomaterial to match the robustness of bulk hydrogels without compromising injectability, mimicking the initial ...
Zhipeng Deng   +16 more
wiley   +1 more source

Linear Approximation Method to the Nuclear Magnetic Resonance (NMR) Spectra-Based Titration Data of Inclusion Host-Guest Complexes (Part 4) -Dual Obtention of Association Constants among One Host and Two Guests from Three Ingredient Systems - [PDF]

open access: yes, 1999
Based upon the titrative 'H NMR spectral data, a new dual calculation strategy of Host-Guest association constants out of three ingredient systems (one host and two guests) is established as an application of the author's "linear approximation method ...
YAKAHASHI, Ichio, 高橋, 一朗
core  

Mesoporous Silica Nanoparticles in Biomedicine: Advances and Prospects

open access: yesAdvanced Materials, EarlyView.
Mesoporous silica nanoparticles offer unique properties like high surface area, tunable pores, and functionalization. They excel in drug delivery, tissue engineering, and stimuli‐responsive therapies, enabling targeted and controlled treatments. With roles in cancer therapy and diagnostics, their clinical translation requires addressing challenges in ...
Miguel Manzano, María Vallet‐Regí
wiley   +1 more source

Guest-host Chemistry with Phenothiazine-substituted Amides.

open access: yes
Guest-host interactions between a 3-(10-phenothiazinyl)propanamide) functionalized dipropylenetriamine pincer (host) and simple amides of malonic acid and analogs (guests) have been investigated, and the system has been transferred to a generation 5 3 ...
Jørn Bolstad, Christensen   +1 more
core   +1 more source

HOST-GUEST COMPLEXATION OF BENZYL AND XYLYL AMMONIUM GUESTS WITH CUCURBIT[7]URIL FOR SHUTTLE ROTAXANES [PDF]

open access: yes, 2017
Bistable rotaxanes are considered to be important design elements of molecular devices for a wide range of applications, such as controlled drug release, molecular machines, and molecular sensors and shuttles.
Garrett, Justin Travis
core  

Directional Flow of Confined Polaritons in CrSBr

open access: yesAdvanced Materials, EarlyView.
CrSBr, a layered magnetic semiconductor, naturally channels self‐hybridized excitonpolaritons into highly directional flow. Its intrinsic optical anisotropy, high refractive index, and strong lightmatter coupling enable long‐range guided modes along the a‐axis, with propagation lengths set by their excitonphoton admixture.
Pratap Chandra Adak   +10 more
wiley   +1 more source

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