Adventures in interdisciplinary science: a half century at the nexus between chemistry, physics and biology
A look back over five decades of research.
Perspective
Art, fact and artifact: reflections on the cross-talk between theory and experiment
The traditional synergy between theory and experiment has been made vulnerable by advances in each realm that require highly specialized expertise. Lessons and recommendations are drawn from reviews of several cases.
Paper
Structural characterization of E22G Aβ1–42 fibrils via1H detected MAS NMR
Amyloid fibrils have been implicated in the pathogenesis of several neurodegenerative diseases, the most prevalent example being Alzheimer's disease (AD).
Paper
An integrated approach towards extracting structural characteristics of chlorosomes from a bchQ mutant of Chlorobaculum tepidum
The structure of the bchQ mutant of Cba. tepidum, with predominantly [8-Et, 12-Et]BChl c, is resolved using solid-state NMR, cryo-EM, and optical spectroscopy. Syn–anti parallel stacks run vertically with a subunit axial displacement of 1.49 nm.
Paper
Background signal suppression by opposite polarity subtraction for targeted DNP NMR spectroscopy on mixture samples
A novel method for background signal suppression is introduced to improve the selectivity of dynamic nuclear polarization (DNP) NMR spectroscopy in the study of target molecules within complex mixtures.
Rigidifying of the internal dynamics of amyloid-beta fibrils generated in the presence of synaptic plasma vesicles
We probed the changes in internal flexibility of amyloid-β fibrils grown with synaptic plasma vesicles using 2H solid-state NMR methods and TEM. A rigidifying effect is observed in comparison to the wild-type fibrils made without the vesicles.
Binding of carboxylate and water to monovalent cations
Water plays an important role in the binding of cations with carboxylates. DFT studies show nW = 2 waters combine with nA = 2 negatively-charged acetates to form the complexes with lowest free energies for Li, Na, and K ions in the gas phase.
About this collection
Festschrift Judith Herzfeld: spectroscopic and theoretical studies of biomolecules, aqueous solutions, and materials
The themed collection 'Festschrift for Judith Herzfeld: spectroscopic and theoretical studies of biomolecules, aqueous solutions, and materials' brings together a broad range of work, including both methodological developments and novel applications. Highlights include nuclear magnetic resonance spectroscopy of biomolecules; studies of self-assembly and crowding-induced order; modelling of water and aqueous solvation; and action mechanisms of membrane transporters and photoreceptors. The special issue further welcomes invited submissions that are within the general scope of the PCCP and encourages potential contributors to contact the PCCP Editorial Office regarding the suitability of manuscripts for the Festschrift.
This special issue will provide a compelling view of modern experimental and theoretical approaches to understanding the general physical-chemical principles underlying complex phenomena in biomolecules, aqueous solutions and materials.
Guest Edited by: Ana-Nicoleta Bondar (University of Bucharest & Forschungszentrum Jülich), Leonid S. Brown (University of Guelph), Hideki Kandori (Nagoya Institute of Technology) and Vladimir Ladizhansky (University of Guelph).