Conformational Preferences of 3-(Dimethylazinoyl)propanoic Acid as a Function of pH and Solvent; Intermolecular versus Intramolecular Hydrogen Bonding [PDF]
, 2009 The conformational equilibrium of 3-(dimethylazinoyl)propanoic acid (DMAPA, azinoyl = N^+(O^−) has a weak pH-dependence in D_2O, with a slight preference for trans in alkaline solutions.
Alley, Olivia J. +5 more
core +2 more sources
Effect of molecular and electronic structure on the light harvesting properties of dye sensitizers [PDF]
, 2007 The systematic trends in structural and electronic properties of perylene diimide (PDI) derived dye molecules have been investigated by DFT calculations based on projector augmented wave (PAW) method including gradient corrected exchange-correlation ...
Acebal P. +51 more
core +3 more sources
Collective exchange processes reveal an active site proton cage in bacteriorhodopsin [PDF]
, 2020 Proton translocation across membranes is vital to all kingdoms of life. Mechanistically, it relies on characteristic proton flows and modifications of hydrogen bonding patterns, termed protonation dynamics, which can be directly observed by fast magic ...
Brünig, Florian N. +5 more
core +1 more source
Deposition and transport of functionalized carbon nanotubes in water-saturated sand columns [PDF]
, 2012 Knowledge of the fate and transport of functionalized carbon nanotubes (CNTs) in porous media is crucial to understand their environmental impacts. In this study, laboratory column and modeling experiments were conducted to mechanistically compare the ...
Carpena, Rafael Munoz +6 more
core +3 more sources
Computer-Assisted Design of Environmentally Friendly and Light-Stable Fluorescent Dyes for Textile Applications. [PDF]
, 2019 Five potentially environmentally friendly and light-stable hemicyanine dyes were designed based on integrated consideration of photo, environmental, and computational chemistry as well as textile applications.
Chen, Guoqiang +2 more
core +1 more source
Non-specific cellular uptake of surface-functionalized quantum dots
, 2010 We report a systematic empirical study of nanoparticle internalization into cells via non-specific pathways. The nanoparticles were comprised of commercial quantum dots (QDs) that were highly visible under a fluorescence confocal microscope.
Goldys, E M +5 more
core +1 more source
Chemical Transformation of Carboxyl Groups on the Surface of Silicon Carbide Quantum Dots [PDF]
, 2014 Silicon carbide quantum dots in the size range of 1−10 nm are in the center of interest with unique properties that makes them very promising biomarkers.
Balogh, István +6 more
core +1 more source
Effect of pressure on the crystal structure of alpha-glycylglycine to 4.7 GPa; application of Hirshfeld surfaces to analyse contacts on increasing pressure [PDF]
, 2006 The crystal structure of alpha-glycylglycine (alpha-GLYGLY) has been determined at room temperature at pressures between 1.4 and 4.7 GPa. The structure can be considered to consist of layers.
Allan, D R +3 more
core +1 more source
Possible strong symmetric hydrogen bonding in disodium trihydrogen bis(2,2'-oxydiacetate) nitrate [PDF]
, 2005 In the title compound, 2Na+·C8H11O10-·NO3-, the NaI atom is heptacoordinate with an approximately pentagonal-bipyramidal geometry. A possible strong symmetric hydrogen bond, with the H atom located at an inversion centre and an OO distance of 2.450 (2) Å,
Fritsch, S. +3 more
core +1 more source
Cell wall target fragment discovery using a low‐cost, minimal fragment library
FEBS Letters, EarlyView.LoCoFrag100 is a fragment library made up of 100 different compounds. Similarity between the fragments is minimized and 10 different fragments are mixed into a single cocktail, which is soaked to protein crystals. These crystals are analysed by X‐ray crystallography, revealing the binding modes of the bound fragment ligands.
Kaizhou Yan +5 more
wiley +1 more source