This work summarizes the author's activity in developing quantum crystallography. The approximations based on the intrinsic properties of the one-electron single-determinant density matrix, which allow its reconstructing from the experimentally measured coherent X-ray diffraction structure factors are discussed. The actual results obtained within such an approach are given. Article critically considers the early works in the field and places them to the present context. © 2017 Wiley Periodicals, Inc.
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http://dx.doi.org/10.1002/jcc.24893 | DOI Listing |
Biopolymers
March 2025
Department of Chemistry, School of Chemical and Physical Sciences, Lovely Professional University, Phagwara, India.
In this paper, we offer a unique green synthetic approach for producing iron sulfide quantum dots (FeS QD)-chitosan composites using gel chemistry. The technique uses the environmental features of chitosan, a biocompatible and biodegradable polysaccharide, and the excellent electrical properties of FeS QDs. By sustainable chemistry principles, the synthesis process is carried out under gentle settings, using aqueous solutions and avoiding hazardous solvents and strong chemicals.
View Article and Find Full Text PDFPhytochemistry
January 2025
School of Pharmaceutical Sciences, South-Central Minzu University, 182 Minzu Road, Wuhan 430074, China; School of Pharmacy, Anhui University of Chinese Medicine, 350 Longzihu Road, Hefei, 230012, China. Electronic address:
Cultivation of the endophytic fungus Robillarda sessilis XL-308 with SAHA resulted in the discovery of two previously undescribed cyclonerane sesquiterpenes (1 and 2), one previously unreported norcadinane type sesquiterpene (3), and seven suberanilohydroxamic acid (SAHA) derivatives (4-10). The identification of previously undescribed compounds was confirmed through NMR spectroscopic analyses, quantum chemistry calculations, and single-crystal X-ray crystallography. Among them, compounds 1 and 2 were products of the silenced genome in XL-308 that activated by SAHA.
View Article and Find Full Text PDFJ Org Chem
January 2025
School of Traditional Chinese Materia Medica, Shenyang Pharmaceutical University, Shenyang 110016, People's Republic of China.
Three seco-norabietane diterpenoids, salvicsites A-C (-), along with two known compounds, were isolated from the roots and rhizomes of Diels f. Stib. Salvicsite A () represents an unprecedented structural combination, featuring an eight-membered α-methyl-α,β-unsaturated lactone ring and a five-membered α,β-unsaturated lactone ring, based on a 6/6/5/8 ring system.
View Article and Find Full Text PDFChemistry
January 2025
Department of Inorganic and Analytical Chemistry, Budapest University of Technology and Economics, Műegyetem rkp. 3, H-1111, Budapest, Hungary.
New hybrids were synthesised by linking carboranes and siloles, both of which are known as aggregation-induced emission active units. Although most of the newly synthesised systems do not display notable quantum yield either in solution or in the aggregated state, they emit strongly in the solid-state, and a quantum yield of up to 100 % can be achieved. The tailorable quantum yield can be attributed to the packing of the molecules in the crystal lattice ruled by the carborane and phenyl moieties according to the SC-XRD data.
View Article and Find Full Text PDFPLoS One
January 2025
College of Physics and Electronic Engineering, Hainan Normal University, HaiKou, China.
We have successfully prepared a significant number of nanowires from non-toxic silicon sources. Compared to the SiO silicon source used in most other articles, our preparation method is much safer. It provides a simple and harmless new preparation method for the preparation of silicon nanowires.
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