Author
Erling Sunde
Bio: Erling Sunde is an academic researcher. The author has contributed to research in topics: Crystal structure & Tetragonal crystal system. The author has an hindex of 32, co-authored 265 publications receiving 4702 citations.
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TL;DR: This review addresses the complex array of glucosinolates, the precursors of isothiocyanates, present in sixteen families of dicotyledonous angiosperms including a large number of edible species including Brassica vegetables.
2,679 citations
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TL;DR: The specific advantages brought up by a design based on the use of the halogen bond will be demonstrated in quite different fields spanning from material sciences to biomolecular recognition and drug design.
Abstract: The halogen bond occurs when there is evidence of a net attractive interaction between an electrophilic region associated with a halogen atom in a molecular entity and a nucleophilic region in another, or the same, molecular entity. In this fairly extensive review, after a brief history of the interaction, we will provide the reader with a snapshot of where the research on the halogen bond is now, and, perhaps, where it is going. The specific advantages brought up by a design based on the use of the halogen bond will be demonstrated in quite different fields spanning from material sciences to biomolecular recognition and drug design.
2,582 citations
TL;DR: It is shown that spedfic binding of divalent cations to a polysaechafide polyelectro]ym, leading firm cohesion between the chains, can cause characteristic effects in the c~rcutar diehroism spectrum which are understandabb in terms of modem theo~, [ l ].
2,505 citations
TL;DR: This work focuses on the calculations of vibrational spectra, thermodynamic quantities, isotopic substitution effects, and force constants in a fully integrated program for the study of chemical reactions involving molecules, ions, and linear polymers using MOPAC.
Abstract: Before we start, we need a working definition for MOPAC. The following description has been used many times to describe MOPAC: MOPAC is a general-purpose, semiempirical molecular orbital program for the study of chemical reactions involving molecules, ions, and linear polymers. It implements the semiempirical Hamiltonians MNDO, AM 1, MINDO/3, and MNDOPM3, and combir_es the calculations of vibrational spectra, thermodynamic quantities, isotopic substitution effects, and force constants in a fully integrated program. Elements parameterized at the MNDO level include H, Li, Be, B, C, N, O, F, A1, Si, P, S, C1, Ge, Br, Sn, Hg, Pb, and I; at the PM3 level the elements H, C, N, O, F, A1, Si, P, S, C1, Br, and I are available. Within the electronic part of the calculation, molecular and localized orbitals, excited states up to sextets, chemical bond indices, charges, etc. are computed. Both intrinsic and dynamic reaction coordinates can be calculated. A transition-state location routine and two transition-state optimizing routines are available for studying chemical reactions.
2,422 citations
TL;DR: The emphasis is on outlining the biochemical properties of the brown algae that set them apart from other algal biosorbents, including alginate and fucoidan, which are chiefly responsible for heavy metal chelation.
2,191 citations