357 papers
This study demonstrates that while repeated thermal cycling degrades the CO2 adsorption capacity of grafted silica-amine sorbents at both atmospheric and combustion concentrations, the decline is significantly more pronounced at low concentrations (400 ppm) compared to high concentrations (5%), with DAS-derived sorbents exhibiting greater overall robustness.
This DFT study elucidates the spontaneous, exothermic, and partially covalent axial coordination of metomidate to iron-porphyrins, revealing key electronic interactions and spin-crossover phenomena that inform the design of potential metomidate sensors.
This study establishes a quantitative correlation between adsorption-induced aromaticity modulation and Surface-Enhanced Raman Scattering (SERS) intensity in π-systems interacting with silver clusters, demonstrating that enhanced π-electron delocalization and charge transfer serve as key mechanistic drivers for chemical SERS activity.
This study demonstrates that the polymer PBFDO achieves genuine metallic conductivity at low temperatures through a negative bipolaron network stabilized by proton reorganization, challenging the prevailing view that such networks only yield semiconducting behavior.
This study demonstrates that nanofibers produced from polylactic acid under specific conditions best mimic the Steiner Minimal Tree structures found in nature, offering a biomimetic optimization framework for designing efficient nano-networks with reduced redundancy.
This paper introduces a novel statistical similarity method based on the probability of atomic environments in pharmaceutical drugs, demonstrating through extensive benchmarking against established fingerprint techniques that it captures distinct chemical features relevant to late-stage drug development and bioisosteric exchanges.
This study presents the development and ICH-guideline validation of a simple, specific, and accurate HPTLC method for the quantitative determination of Vinpocetine using a Toluene:Ethyl acetate:Methanol:Diethylamine mobile phase at 274 nm.
This study developed and validated a novel SE-HPLC/UV methodology that utilizes mean molecular weight and molar extinction coefficients to simultaneously quantify free amino acids and peptide fractions in keratin hydrolysates with high accuracy, enabling real-time monitoring of peptide distribution and concentration kinetics.
This study presents a confidence-stratified computational workflow that integrates UHPLC-QTOF data, in-house and public libraries, and pathway-informed in-silico tools to significantly reduce structural ambiguity in identifying catechins and their oxidation products in Chinese black tea across MSI Levels 1–4.
By combining ultrafast spectroscopy and theoretical calculations, this study reveals that blue-green light selectively triggers a proton-transfer-coupled isomerization pathway in the bilirubin-albumin complex that efficiently produces excretable lumirubin, whereas blue light follows a less effective route yielding non-metabolizable photoproducts, thereby explaining the superior clinical efficacy of blue-green phototherapy for neonatal jaundice.