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Materials Data on TcS2 by Materials Project

TcS2 is Molybdenite-like structured and crystallizes in the triclinic P-1 space group. The structure is two-dimensional and consists of one TcS2 sheet oriented in the (0, 0, 1) direction. there are two inequivalent Tc4+ sites. In the first Tc4+ site, Tc4+ is bonded to six S2- atoms to form edge-sharing TcS6 octahedra. There are a spread of Tc–S bond distances ranging from 2.34–2.47 Å. In the second Tc4+ site, Tc4+ is bonded to six S2- atoms to form distorted edge-sharing TcS6 octahedra. There are a spread of Tc–S bond distances ranging from 2.31–2.52 Å. There are four inequivalent S2- sites. In the first S2- site, S2- is bonded in a distorted trigonal non-coplanar geometry to three Tc4+ atoms. In the second S2- site, S2- is bonded in a 3-coordinate geometry to three Tc4+ atoms. In the third S2- site, S2- is bonded in a 3-coordinate geometry to three Tc4+ atoms. In the fourth S2- site, S2- is bonded in a 3-coordinate geometry to three Tc4+ atoms.

36 MATERIALS SCIENCE↗

Materials Data on K2(TcS2)3 by Materials Project

K2(TcS2)3 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. there are three inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 6-coordinate geometry to six S2- atoms. There are a spread of K–S bond distances ranging from 3.14–3.54 Å. In the second K1+ site, K1+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of K–S bond distances ranging from 3.17–3.48 Å. In the third K1+ site, K1+ is bonded in a 7-coordinate geometry to seven S2- atoms. There are a spread of K–S bond distances ranging from 3.10–3.62 Å. There are three inequivalent Tc+3.33+ sites. In the first Tc+3.33+ site, Tc+3.33+ is bonded to five S2- atoms to form edge-sharing TcS5 square pyramids. There are a spread of Tc–S bond distances ranging from 2.39–2.50 Å. In the second Tc+3.33+ site, Tc+3.33+ is bonded to five S2- atoms to form a mixture of edge and corner-sharing TcS5 square pyramids. There are a spread of Tc–S bond distances ranging from 2.38–2.51 Å. In the third Tc+3.33+ site, Tc+3.33+ is bonded to five S2- atoms to form a mixture of edge and corner-sharing TcS5 square pyramids. There are a spread of Tc–S bond distances ranging from 2.38–2.51 Å. There are six inequivalent S2- sites. In the first S2- site, S2- is bonded in a 4-coordinate geometry to one K1+ and three Tc+3.33+ atoms. In the second S2- site, S2- is bonded in a 5-coordinate geometry to two equivalent K1+ and three Tc+3.33+ atoms. In the third S2- site, S2- is bonded in a 5-coordinate geometry to two K1+ and three Tc+3.33+ atoms. In the fourth S2- site, S2- is bonded in a 6-coordinate geometry to three K1+ and three Tc+3.33+ atoms. In the fifth S2- site, S2- is bonded in a 5-coordinate geometry to three K1+, one Tc+3.33+, and one S2- atom. The S–S bond length is 2.12 Å. In the sixth S2- site, S2- is bonded in a 5-coordinate geometry to three K1+ and two Tc+3.33+ atoms.

36 MATERIALS SCIENCE↗

Metabolome and RNA-seq Analysis of Responses to Nitrogen Deprivation and Resupply in Tea Plant (Camellia sinensis) Roots

Nitrogen (N) is an important contributor in regulating plant growth and development as well as secondary metabolites synthesis, so as to promote the formation of tea quality and flavor. Theanine, polyphenols, and caffeine are important secondary metabolites in tea plant. In this study, the responses of Camellia sinensis roots to N deprivation and resupply were investigated by metabolome and RNA-seq analysis. N deficiency induced content increase for most amino acids (AAs) and reduction for the remaining AAs, polyphenols, and caffeine. After N recovery, the decreased AAs and polyphenols showed a varying degree of recovery in content, but caffeine did not. Meanwhile, theanine increased in content, but its related synthetic genes were down-regulated, probably due to coordination of the whole N starvation regulatory network. Flavonoids-related pathways were relatively active following N stress according to KEGG enrichment analysis. Gene co-expression analysis revealed TCS2 , AMT1;1 , TAT2 , TS , and GOGAT as key genes, and TFs like MYB, bHLH, and NAC were also actively involved in N stress responses in C. sinensis roots. These findings facilitate the understanding of the molecular mechanism of N regulation in tea roots and provide genetic reference for improving N use efficiency in tea plant.

Xu, Wenluan↗