Halogen Bonding in Sulphonamide Co-Crystals: X···π Preferred over X···O/N?
Molecules, 2023 Sulphonamides have been one of the major pharmaceutical compound classes since their introduction in the 1930s. Co-crystallisation of sulphonamides with halogen bonding (XB) might lead to a new class of pharmaceutical-relevant co-crystals. We present the
Tobias Heinen +3 more
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Nonempirical Range-separated Hybrid Functionals for Solids and Molecules [PDF]
, 2016 Dielectric-dependent hybrid (DDH) functionals were recently shown to yield accurate energy gaps and dielectric constants for a wide variety of solids, at a computational cost considerably less than that of GW calculations.
Galli, Giulia +2 more
core +2 more sources
Evolution of the Immunoglobulin Isotypes—Variations of Biophysical Properties among Animal Classes
Biomolecules, 2023 The adaptive immune system arose around 500 million years ago in jawed fish, and, since then, it has mediated the immune defense against pathogens in all vertebrates.
Nancy D. Pomarici +4 more
doaj +1 more source
The Extraction of Community Structures from Publication Networks to Support Ethnographic Observations of Field Differences in Scientific Communication [PDF]
, 2013 The scientific community of researchers in a research specialty is an important unit of analysis for understanding the field specific shaping of scientific communication practices. These scientific communities are, however, a challenging unit of analysis
Baus +52 more
core +2 more sources
Impact of peanut shells, olive pomace, and plaster on the dielectric properties of PA6
Chemical Physics Impact, 2023 Polyamide 6 (PA6) is among the most widely used technical polymers due to its excellent balance between performance and cost. The diversity of its applications reflects its main qualities (good mechanical properties, thermal stability, resistance to many
O. Oulidi +7 more
doaj +1 more source
Synthesis and characterization of hybrid organic-inorganic materials based on sulphonated polyamideimide and silica [PDF]
, 2010 The preparation of hybrid organic–inorganic membrane materials based on a sulphonated polyamideimide resin and silica filler has been studied. The method allows the sol–gel process to proceed in the presence of a high molecular weight polyamideimide,
Anita Hill +26 more
core +1 more source
Smart Ligands for Efficient 3d-, 4d- and 5d-Metal Single-Molecule Magnets and Single-Ion Magnets
Inorganics, 2020 There has been a renaissance in the interdisciplinary field of Molecular Magnetism since ~2000, due to the discovery of the impressive properties and potential applications of d- and f-metal Single-Molecule Magnets (SMMs) and Single-Ion Magnets (SIMs) or
Panagiota S. Perlepe +4 more
doaj +1 more source
Characterization of iodine particles with Volatilization-Humidification Tandem Differential Mobility Analyser (VH-TDMA), Raman and SEM techniques [PDF]
, 2006 Particles formed upon photo-oxidation of CH2I2 and particles of I2O5 and HIO3 have been studied using a Volatilisation and Humidification Tandem Differential Mobility Analyser (VH-TDMA) system.
Bostrom, Thor E. +4 more
core +3 more sources
Structural Basis of the Immunological Cross-Reactivity between Kiwi and Birch Pollen
Foods, 2023 Allergies related to kiwi consumption have become a growing health concern, with their prevalence on the rise. Many of these allergic reactions are attributed to cross-reactivity, particularly with the major allergen found in birch pollen.
Ricarda Zeindl +6 more
doaj +1 more source
Density functional theory in transition-metal chemistry: a self-consistent Hubbard U approach
, 2006 Transition-metal centers are the active sites for many biological and inorganic chemical reactions. Notwithstanding this central importance, density-functional theory calculations based on generalized-gradient approximations often fail to describe ...
C. Rovira +5 more
core +1 more source