ArticleSmart molecules : open access2026
DFT-assisted rational design of salan ligands for highly enantioselective Zr-salan-catalyzed hydroxylation of cyclic
Cunfei Ma, Kun Tang, Yuchen Jiang, Hongfei Zhu, Yufeng Wu, Yafeng Xing, Yakun Wang, Qilei Liu, Jian Du, Qingwei Meng
Abstract read
In one paragraphArticle in Smart molecules : open access, 2026. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Not yet cited in PubMed.
0numbers the graph read from it
0cells of the map it votes in
0citing papers in PubMed
–field-weighted citation impact
What it found
Each row is one number read from the abstract, on the scale the paper reported it, with its interval. Left of the dashed line favours the treatment, right favours the comparator. Under each row is the sentence it came from. New to these charts? A ten-minute tutorial.
The abstract states no effect estimate the extractor could read, or names no intervention and outcome on the map, so this paper lights no cell and moves no belief. It is still indexed, cited and linked below.
2 · The registryThe trial behind it
Trials whose registry record cites this paper, or whose number appears in the abstract. A trial that started after this paper was published is citing it as background, not reporting it.
Neither the registry nor the abstract names a trial number. If this is a trial report, that itself is worth knowing.
3 · Its place in the literatureWho cites it
0 citing papers in PubMed.
No citing paper in PubMed yet.
4 · The recordCorrections and comments
PubMed lists nothing against this paper. Absence here is not a guarantee, only a check that was made.
5 · Who and what moneyAuthors and funding
10 authors.
Cunfei MaDepartment of Pharmaceutical Engineering State Key Laboratory of Fine Chemicals Frontiers Science Center for Smart Materials Oriented Chemical Engineering School of Chemical Engineering Dalian University of Technology Dalian China.
Kun TangDepartment of Pharmaceutical Engineering State Key Laboratory of Fine Chemicals Frontiers Science Center for Smart Materials Oriented Chemical Engineering School of Chemical Engineering Dalian University of Technology Dalian China.ORCID https://orcid.org/0009-0001-5735-9343 Yuchen JiangDepartment of Pharmaceutical Engineering State Key Laboratory of Fine Chemicals Frontiers Science Center for Smart Materials Oriented Chemical Engineering School of Chemical Engineering Dalian University of Technology Dalian China.
Hongfei ZhuDepartment of Pharmaceutical Engineering State Key Laboratory of Fine Chemicals Frontiers Science Center for Smart Materials Oriented Chemical Engineering School of Chemical Engineering Dalian University of Technology Dalian China.
Yufeng WuDepartment of Pharmaceutical Engineering State Key Laboratory of Fine Chemicals Frontiers Science Center for Smart Materials Oriented Chemical Engineering School of Chemical Engineering Dalian University of Technology Dalian China.ORCID https://orcid.org/0000-0002-2404-0053 Yafeng XingDepartment of Pharmaceutical Engineering State Key Laboratory of Fine Chemicals Frontiers Science Center for Smart Materials Oriented Chemical Engineering School of Chemical Engineering Dalian University of Technology Dalian China.
Qilei LiuDepartment of Pharmaceutical Engineering State Key Laboratory of Fine Chemicals Frontiers Science Center for Smart Materials Oriented Chemical Engineering School of Chemical Engineering Dalian University of Technology Dalian China.ORCID https://orcid.org/0000-0002-3879-1827 Jian DuDepartment of Pharmaceutical Engineering State Key Laboratory of Fine Chemicals Frontiers Science Center for Smart Materials Oriented Chemical Engineering School of Chemical Engineering Dalian University of Technology Dalian China.ORCID https://orcid.org/0000-0002-1188-8514 Qingwei MengDepartment of Pharmaceutical Engineering State Key Laboratory of Fine Chemicals Frontiers Science Center for Smart Materials Oriented Chemical Engineering School of Chemical Engineering Dalian University of Technology Dalian China.ORCID https://orcid.org/0000-0002-1743-2518 Funding
No grant is acknowledged in the PubMed record.
6 · The paper itselfAbstract
In this work, a structurally simple, inexpensive, and readily accessible Zr-salan catalytic system was designed and developed with the aid of density functional theory (DFT) calculations. Density functional theory studies revealed that stereocontrol arises primarily from the steric shielding and noncovalent interactions of the salan ligand, rather than diaryl structural motifs, enabling the rational design of an economically efficient ligand framework. This strategy eliminates the reliance on Suzuki-Miyaura coupling by employing a commercially available sterically hindered ligand intermediate. The resulting Zr-salan catalyst exhibits excellent asymmetric catalytic performance, delivering yields of up to 99% and enantiomeric excesses (ee) of 99% across a broad substrate scope of 44 examples, including
Indexed as
asymmetric catalysiscyclic β‐keto estersDFT‐assistedhydroxylationZr‐salan catalysts
Identifiers
PMID42662776
PMCPMC13520753
What OpenQuestion holds
Textmetadata
Read underepoch 390