We present a general and mathematically rigorous algorithm which allows the helicoidal structure of a protein to be calculated starting from the atomic coordinates of its peptide backbone. This algorithm yields a unique curved axis which quantifies the folding of the backbone and a full set of helicoidal parameters describing the location of each peptide unit. The parameters obtained form a complete and independent set and can therefore be used for analyzing, comparing, or reconstructing protein backbone geometry. This algorithm has been implemented in a computer program named P-Curve. Several examples of its possible applications are discussed.
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http://dx.doi.org/10.1002/prot.340060105 | DOI Listing |
Inorg Chem
September 2024
School of Physics and Electronics, International Joint Research Laboratory of New Energy Materials and Devices of Henan Province, Henan University, Kaifeng 475004, China.
Preparing chiral plasmonic nanoparticles (NPs) with strong chiroptical responses is crucial in numerous fields including constructing optical materials, chiral sensing, and chiral-dependent biological processes. However, precise regulation over the chiral optical activity and chiral configuration of plasmonic NPs is still a challenge. In this work, we report Au helicoid NPs with different chiral structures and reversal chirality directed by the oligomeric structure of inducer glutathione (GSH).
View Article and Find Full Text PDFNat Commun
June 2024
Instituto de Tecnología Química, Universitat Politècnica de València - Consejo Superior de Investigaciones Científicas (UPV-CSIC), Av. de los Naranjos, s/n, Valencia, Spain.
Zeolites, well-known by their high selectivities in catalytic and separation processes due to their porous nature, play a crucial role in various applications. One significant long-term objective is the synthesis of enantiopure zeolites, potentially enabling enantioselective processes. Earlier attempts result in partial success, yielding some enantiomorphically enriched zeolites.
View Article and Find Full Text PDFAdv Mater
July 2024
Université de Strasbourg, CNRS, Institut Charles Sadron UPR22, Strasbourg, F-67000, France.
Cellulose-based nanocomposites are highly appealing for the development of next-generation sustainable functional materials. Although many advances have been made in this direction, the true potential of fibrillar nanocomposites has yet to be realized because available fabrication approaches are inadequate for achieving precise structural control at the sub-micrometer scale. Here a spray-assisted alignment methodology of cellulose nanofibrils is combined with the layer-by-layer assembly into an additive manufacturing process in which the alignment direction of each cellulose layer is rationally selected to achieve thin films with a helicoidal arrangement of the nanofibrils.
View Article and Find Full Text PDFProc Natl Acad Sci U S A
February 2024
ENSL, CNRS, Laboratoire de Chimie, UMR 5182, 46 allée d'Italie, Lyon F-69364, France.
The ability of thin materials to shape-shift is a common occurrence that leads to dynamic pattern formation and function in natural and man-made structures. However, harnessing this concept to rationally design inorganic structures at the nanoscale has remained far from reach due to a lack of fundamental understanding of the essential physical components. Here, we show that the interaction between organic ligands and the nanocrystal surface is responsible for the full range of chiral shapes seen in colloidal nanoplatelets.
View Article and Find Full Text PDFChem Mater
January 2024
Department of Chemistry and Molecular Design Institute, New York University, New York, New York 10003, United States.
Helicoidal crystallites in rhythmically banded spherulites manifest spectacular optical patterns in small molecules and polymers. It is shown that concentric optical bands indicating crystallographic orientations typically lose coherence (in-phase twisting) with growth from the center of nucleation. Here, coherence is shown to increase as the twist period decreases for seven molecular crystals grown from the melt.
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