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The Cambridge Structural Database (CSD)
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The Cambridge Structural Database (CSD)

The Cambridge Structural Database (CSD) is a curated repository of experimentally determined crystal structures, containing small-molecule organic and metal-organic compounds, with more than 1.4 million structures. It provides access to deposited and retrievable crystallographic data derived from experiment, giving researchers reliable 3D structural information on molecular conformations, intermolecular interactions, and solid-state arrangements. The dataset is used to support structural chemistry research and applications including drug discovery, molecular design, solid form and particle behavior analysis, crystallography, agrochemical development, porous and functional materials research, and teaching and learning.

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相关论文

142

Enantioselective C( sp 3 )–C( sp 3 ) cross-coupling of non-activated alkyl electrophiles via nickel hydride catalysis

Srikrishna Bera•Runze Mao•Xile Hu
Nature Chemistry
2020
•2020/12/30
•Vol.13 No.3 p.270-277
Cross-coupling of two alkyl fragments is an efficient method to produce organic molecules rich in sp3-hybridized carbon centres, which are attractive candidate compounds in drug discovery. Enantioselective C(sp3)–C(sp3) coupling is challenging, especially of alkyl electrophiles without an activating...
Asymmetric catalysisHomogeneous catalysisSynthetic chemistry methodology
10.1038/S41557-020-00576-Z
ISSN:1755-4330

Dynamic supramolecular snub cubes

Huang Wu•Yu Wang•Luka Đorđević•Pramita Kundu•Surojit Bhunia等 20 人
Nature
2025
•2025/1/8
•Vol.637 No.8045 p.347-353
Mimicking the superstructures and properties of spherical biological encapsulants such as viral capsids1 and ferritin2 offers viable pathways to understand their chiral assemblies and functional roles in living systems. However, stereospecific assembly of artificial polyhedra with mechanical propert...
Crystal engineeringMolecular capsulesSelf-assembly
10.1038/S41586-024-08266-3
ISSN:0028-0836

Chiral donor–acceptor azetines as powerful reactants for synthesis of amino acid derivatives

Kostiantyn O. Marichev•Kuiyong Dong•Lynée A. Massey•Yongming Deng•Luca De Angelis等 8 人
Nature Communications
2019
•2019/11/22
•Vol.10 No.1 p.1-10
Coupling reactions of amines and alcohols are of central importance for applications in chemistry and biology. These transformations typically involve the use of a reagent, activated as an electrophile, onto which nucleophile coupling results in the formation of a carbon-nitrogen or a carbon–oxygen ...
Asymmetric synthesisHomogeneous catalysisSynthetic chemistry methodology
10.1038/S41467-019-13326-8
ISSN:2041-1723

A zirconium metal-organic framework with SOC topological net for catalytic peptide bond hydrolysis

Wang Sujing•Ly Hong Giang T.•Wahiduzzaman Mohammad•Simms Charlotte•Dovgaliuk Iurii等 9 人
Nature Communications
2022
•2022/3/11
•Vol.13 No.1 p.1-8
The discovery of nanozymes for selective fragmentation of proteins would boost the emerging areas of modern proteomics, however, the development of efficient and reusable artificial catalysts for peptide bond hydrolysis is challenging. Here we report the catalytic properties of a zirconium metal-org...
BiocatalysisHeterogeneous catalysisMetal–organic frameworks
10.1038/S41467-022-28886-5
ISSN:2041-1723

Air-stable 18-electron adducts of Schrock catalysts with tuned stability constants for spontaneous release of the active species

Henrik Gulyás•Shigetaka Hayano•Ádám Madarász•Imre Pápai•Márk Szabó等 8 人
Communications Chemistry
2021
•2021/5/19
•Vol.4 No.1 p.1-11
Schrock alkylidenes are highly versatile, very active olefin metathesis catalysts, but their pronounced sensitivity to air still hinders their applications. Converting them into more robust but inactive 18-electron adducts was suggested previously to facilitate their handling. Generating the active ...
Catalyst synthesisHomogeneous catalysisLigandsMetathesis reactions
10.1038/S42004-021-00503-4
ISSN:2399-3669

Site-specific allylic C–H bond functionalization with a copper-bound N-centred radical

Jiayuan Li•Zhihan Zhang•Lianqian Wu•Wen Zhang•Pinhong Chen等 7 人
Nature
2019
•2019/10/23
•Vol.574 No.7779 p.516-521
Methods for selective C–H bond functionalization have provided chemists with versatile and powerful toolboxes for synthesis, such as the late-stage modification of a lead compound without the need for lengthy de novo synthesis1–5. Cleavage of an sp3 C–H bond via hydrogen atom transfer (HAT) is parti...
Asymmetric catalysisSynthetic chemistry methodology
10.1038/S41586-019-1655-8
ISSN:0028-0836

A photoswitchable polar crystal that exhibits superionic conduction

Shin-ichi Ohkoshi•Kosuke Nakagawa•Kenta Imoto•Hiroko Tokoro•Yuya Shibata等 10 人
Nature Chemistry
2020
•2020/3/16
•Vol.12 No.4 p.338-344
Ionic conductors serve as solid electrolytes for fuel cells and batteries, whereas polar crystals such as ferroelectrics and pyroelectrics—which are typically insulating materials—are used in electronic devices. Here we show a material that combines superionic conductivity with a polar crystal struc...
Metal–organic frameworksOptical materialsSolid-state chemistry
10.1038/S41557-020-0427-2
ISSN:1755-4330

Harvesting singlet and triplet excitation energies in covalent organic frameworks for highly efficient photocatalysis

Ruoyang Liu•Dan Zhao•Sailun Ji•Haipei Shao•Yongzhi Chen等 13 人
Nature Materials
2025
•2025/7/16
•00 p.1-13
Photocatalysis has traditionally been constrained by selective utilization of either singlet or triplet excited states, limiting efficiency and reaction scope. Achieving simultaneous optimization of both states has remained a challenge. Here we introduce donor–acceptor covalent organic frameworks (C...
Electronic materialsPhotocatalysisPorous materialsTwo-dimensional materials
10.1038/S41563-025-02281-Z
ISSN:1476-1122

Base-promoted azaarene and polyazaarene synthesis through C–C bond cleavage and alkyl transfer

Yong-Ze Chen•Xiang-Huan Shan•Bo Yang•Lin Tie•Yu Liu等 8 人
Nature Synthesis
2025
•2025/7/17
•00 p.1-9
Multisubstituted azaarenes and conjugated polyazaarenes are important heterocycles in chemistry and materials science. Here we report the discovery of a carbon–carbon bond cleavage and alkyl transfer approach for the synthesis of azaarenes or conjugated polyazaarenes, which is promoted by potassium ...
Synthetic chemistry methodologyOrganic chemistry
10.1038/S44160-025-00833-4
ISSN:2731-0582

Chiral phosphoric acid-catalyzed asymmetric epoxidation of alkenyl aza-heteroarenes using hydrogen peroxide

Hao-Chen Wen•Wei Chen•Meng Li•Chen Ma•Jian-Fei Wang等 10 人
Nature Communications
2024
•2024/6/20
•Vol.15 No.1 p.1-12
The synthesis of chiral α-azaheteroaryl oxiranes via enantioselective catalysis is a formidable challenge due to the required complex stereoselectivity and diverse N-heterocyclic structures. These compounds play a crucial role in developing bioactive molecules, where precise chirality significantly ...
Asymmetric catalysisAsymmetric synthesisOrganocatalysis
10.1038/S41467-024-49435-2
ISSN:2041-1723

Facile electron delivery from graphene template to ultrathin metal-organic layers for boosting CO 2 photoreduction

Jia-Wei Wang•Li-Zhen Qiao•Hao-Dong Nie•Hai-Hua Huang•Yi Li等 10 人
Nature Communications
2021
•2021/2/5
•Vol.12 No.1 p.1-9
Metal-organic layers with ordered structure and molecular tunability are of great potential as heterogeneous catalysts due to their readily accessible active sites. Herein, we demonstrate a facile template strategy to prepare metal-organic layers with a uniform thickness of three metal coordination ...
Coordination chemistryPhotocatalysisSolid-state chemistryTwo-dimensional materials
10.1038/S41467-021-21084-9
ISSN:2041-1723

Partitioning the interlayer space of covalent organic frameworks by embedding pseudorotaxanes in their backbones

Xing Li•Hai-Sen Xu•Kai Leng•See Wee Chee•Xiaoxu Zhao等 13 人
Nature Chemistry
2020
•2020/11/2
•Vol.12 No.12 p.1115-1122
Mono- or few-layer sheets of covalent organic frameworks (COFs) represent an attractive platform of two-dimensional materials that hold promise for tailor-made functionality and pores, through judicious design of the COF building blocks. But although a wide variety of layered COFs have been synthesi...
Materials chemistrySupramolecular chemistry
10.1038/S41557-020-00562-5
ISSN:1755-4330

Transformation of europium metal-organic framework from 3D via 2D into exfoliating 3D for enzyme immobilization

Ani Vardanyan•Guojun Zhou•Nayoung Kim•Tetyana M. Budnyak•Vadim G. Kessler等 8 人
Communications Materials
2024
•2024/9/12
•Vol.5 No.1 p.1-10
Metal-organic frameworks (MOFs) have emerged as highly promising materials for hosting functional biomolecules. Here, a 1,2,4-benzenetricarboxylate ligand with a flat asymmetric shape is applied to infuse an unusual behavior to a 3D europium MOF (SLU-1). Solvent addition results in the 3D MOF splitt...
Metal–organic frameworksOrganic–inorganic nanostructures
10.1038/S43246-024-00624-Y
ISSN:2662-4443

Intrinsically unidirectional chemically fuelled rotary molecular motors

Mo Ke•Zhang Yu•Dong Zheng•Yang Yuhang•Ma Xiaoqiang等 7 人
Nature
2022
•2022/7/6
•Vol.609 No.7926 p.293-298
Biological systems mainly utilize chemical energy to fuel autonomous molecular motors, enabling the system to be driven out of equilibrium1. Taking inspiration from rotary motors such as the bacterial flagellar motor2 and adenosine triphosphate synthase3, and building on the success of light-powered...
PhotochemistryStereochemistry
10.1038/S41586-022-05033-0
ISSN:0028-0836

Iodine(III) promotes cross-dehydrogenative coupling of N-hydroxyphthalimide and unactivated C(sp 3 )–H bonds

Fufang Wu•Xuanzhen Han•Xuejian Li•Xiaobao Shen•Chang Wang等 10 人
Communications Chemistry
2021
•2021/3/31
•Vol.4 No.1 p.1-7
Cross-dehydrogenative coupling reactions provide a method to construct new chemical bonds by direct C–H activation without any pre-functionalization. Compared to functionalization of a C–H bond α- to ether oxygen, α- to carbonyl, or at a benzylic position, functionalization of unactivated hydrocarbo...
Synthetic chemistry methodology
10.1038/S42004-021-00480-8
ISSN:2399-3669

Complexes featuring a linear [N≡U≡N] core isoelectronic to the uranyl cation

Stefan S. Rudel•H. Lars Deubner•Matthias Müller•Antti J. Karttunen•Florian Kraus
Nature Chemistry
2020
•2020/8/3
•Vol.12 No.10 p.962-967
The aqueous chemistry of uranium is dominated by the linear uranyl cation [UO2]2+, yet the isoelectronic nitrogen-based analogue of this ubiquitous cation, molecular [UN2], has so far only been observed in an argon matrix. Here, we present three different complexes of [UN2] obtained by the reaction ...
Chemical bondingCoordination chemistrySolid-state chemistry
10.1038/S41557-020-0505-5
ISSN:1755-4330

A robust large-pore zirconium carboxylate metal–organic framework for energy-efficient water-sorption-driven refrigeration

Sujing Wang•Ji Sun Lee•Mohammad Wahiduzzaman•Jaedeuk Park•Mégane Muschi等 13 人
Nature Energy
2018
•2018/10/22
•Vol.3 No.11 p.985-993
The discovery of more-efficient and stable water adsorbents for adsorption-driven chillers for cooling applications remains a challenge due to the low working capacity of water sorption, high regeneration temperature, low energy efficiency under given operating conditions and the toxicity risk of ha...
Metal–organic frameworksPorous materials
10.1038/S41560-018-0261-6
ISSN:2058-7546

A metal–peptide capsule by multiple ring threading

Tomohisa Sawada•Yuuki Inomata•Koya Shimokawa•Makoto Fujita
Nature Communications
2019
•2019/12/12
•Vol.10 No.1 p.1-8
Cavity creation is a key to the origin of biological functions. Small cavities such as enzyme pockets are created simply through liner peptide folding. Nature can create much larger cavities by threading and entangling large peptide rings, as learned from gigantic virus capsids, where not only chemi...
Interlocked moleculesMolecular capsulesMolecular self-assemblySelf-assembly
10.1038/S41467-019-13594-4
ISSN:2041-1723

Photocascade chemoselective controlling of ambident thio(seleno)cyanates with alkenes via catalyst modulation

Injamam Ul Hoque•Apurba Samanta•Shyamal Pramanik•Soumyadeep Roy Chowdhury•Rabindranath Lo等 6 人
Nature Communications
2024
•2024/7/9
•Vol.15 No.1 p.1-12
Controlling the ambident reactivity of thiocyanates in reaction manifolds has been a long-standing and formidable challenge. We report herein a photoredox strategy for installing thiocyanates and isothiocyanates in a controlled chemoselective fashion by manipulating the ambident-SCN through catalyst...
Catalytic mechanismsSynthetic chemistry methodologyPhotocatalysis
10.1038/S41467-024-49279-W
ISSN:2041-1723

α-Branched amines by catalytic 1,1-addition of C–H bonds and aminating agents to terminal alkenes

Soham Maity•Tyler J. Potter•Jonathan A. Ellman
Nature Catalysis
2019
•2019/8/12
•Vol.2 No.9 p.756-762
α-Branched amines are present in hundreds of pharmaceutical agents and clinical candidates and are important targets for synthesis. Here, we show the convergent synthesis of α-branched amines from three readily accessible starting materials: aromatic C–H bond substrates, terminal alkenes and aminati...
Asymmetric catalysisCatalytic mechanismsHomogeneous catalysisSynthetic chemistry methodology
10.1038/S41929-019-0330-7
ISSN:2520-1158

Divergent regioselective Heck-type reaction of unactivated alkenes and N-fluoro-sulfonamides

Zhao Chunyang•Li Yang•Dong Yujiao•Li Miao•Xia Dan等 10 人
Nature Communications
2022
•2022/10/22
•Vol.13 No.1 p.1-16
The control of regioselectivity in Heck-type reaction of unactivated alkenes represents a longstanding challenge due to several detachable hydrogens in β–H elimination step, which generally afford either one specific regioisomer or a mixture. Herein, a copper-catalyzed intermolecular Heck-type react...
Homogeneous catalysisSynthetic chemistry methodology
10.1038/S41467-022-33996-1
ISSN:2041-1723

Chlorine bridge bond-enabled binuclear copper complex for electrocatalyzing lithium–sulfur reactions

Qin Yang•Jinyan Cai•Guanwu Li•Runhua Gao•Zhiyuan Han等 14 人
Nature Communications
2024
•2024/4/15
•Vol.15 No.1 p.1-13
Engineering atom-scale sites are crucial to the mitigation of polysulfide shuttle, promotion of sulfur redox, and regulation of lithium deposition in lithium–sulfur batteries. Herein, a homonuclear copper dual-atom catalyst with a proximal distance of 3.5 Å is developed for lithium–sulfur batteries,...
Batteries
10.1038/S41467-024-47565-1
ISSN:2041-1723

Single-atom tailored atomically-precise nanoclusters for enhanced electrochemical reduction of CO2-to-CO activity

Yi-Man Wang•Fang-Qin Yan•Qian-You Wang•Chen-Xia Du•Li-Ya Wang等 8 人
Nature Communications
2024
•2024/2/28
•Vol.15 No.1 p.1-10
The development of facile tailoring approach to adjust the intrinsic activity and stability of atomically-precise metal nanoclusters catalysts is of great interest but remians challenging. Herein, the well-defined Au8 nanoclusters modified by single-atom sites are rationally synthesized via a co-ele...
CatalysisElectrocatalysisElectrochemistry
10.1038/S41467-024-46098-X
ISSN:2041-1723

Four-electron reduction of benzene by a samarium(ii)-alkyl without the addition of external reducing agents

Georgia M. Richardson•Thayalan Rajeshkumar•Finlay M. Burke•Scott A. Cameron•Brooke D. Nicholls等 18 人
Nature Chemistry
2025
•2025/1/3
•Vol.17 No.1 p.20-28
Benzene reduction by molecular complexes remains an important synthetic challenge, requiring harsh reaction conditions involving group I metals. Reductions of benzene, to date, typically result in a loss of aromaticity, although the benzene tetra-anion, a 10π-electron system, has been calculated to ...
Chemical bondingDensity functional theoryMetathesis reactions
10.1038/S41557-024-01688-6
ISSN:1755-4330

Enantio- and diastereoselective construction of vicinal C(sp3) centres via nickel-catalysed hydroalkylation of alkenes

Bera Srikrishna•Fan Chao•Hu Xile
Nature Catalysis
2022
•2022/12/22
•Vol.5 No.12 p.1180-1187
In drug discovery, the proportion of aliphatic carbons (C(sp3)) and the presence of chiral carbons in organic molecules are positively correlated to their chance of clinical success. Although methods exist for the synthesis of chiral C(sp3)-rich molecules, they often are limited in scope, have poor ...
Asymmetric catalysisSynthetic chemistry methodology
10.1038/S41929-022-00894-0
ISSN:2520-1158

Record high-Tc and large practical utilization level of electric polarization in metal-free molecular antiferroelectric solid solutions

Xu Haojie•Guo Wuqian•Ma Yu•Liu Yi•Hu Xinxin等 10 人
Nature Communications
2022
•2022/9/10
•Vol.13 No.1 p.1-7
Metal-free antiferroelectric materials are holding a promise for energy storage application, owing to their unique merits of wearability, environmental friendliness, and structure tunability. Despite receiving great interests, metal-free antiferroelectrics are quite limited and it is a challenge to ...
Ferroelectrics and multiferroicsInorganic chemistry
10.1038/S41467-022-33039-9
ISSN:2041-1723

Photocatalyzed cycloaromatization of vinylsilanes with arylsulfonylazides

Fengjuan Chen•Youxiang Shao•Mengke Li•Can Yang•Shi-Jian Su等 8 人
Nature Communications
2021
•2021/6/3
•Vol.12 No.1 p.1-9
Sila-molecules have recently attracted attention due to their promising applications in medical and industrial fields. Compared with all-carbon parent compounds, the different covalent radius and electronegativity of silicon from carbon generally endow the corresponding sila-analogs with unique biol...
Synthetic chemistry methodologyPhotocatalysis
10.1038/S41467-021-23326-2
ISSN:2041-1723

Direct dehydrocoupling facilitates efficient thiophene anchoring on silicon surfaces

Jingpeng Li•Meiyu Zhang•Wenxuan Li•Zhongshu Li•Tingshun Zhu等 6 人
Nature Communications
2025
•2025/7/19
•Vol.16 No.1 p.1-10
Silicon is a cornerstone material in electronics and photovoltaics due to its abundance, tunable semiconducting properties, and chemical versatility. Direct anchoring of thiophenes, with their highly delocalized aromatic backbones, onto silicon surfaces offers a promising route to tailor charge carr...
Chemical bondingElectronic materialsOptical materialsProcess chemistry
10.1038/S41467-025-62002-7
ISSN:2041-1723

Double-helical assembly of heterodimeric nanoclusters into supercrystals

Yingwei Li•Meng Zhou•Yongbo Song•Tatsuya Higaki•He Wang等 6 人
Nature
2021
•2021/6/16
•Vol.594 No.7863 p.380-384
DNA has long been used as a template for the construction of helical assemblies of inorganic nanoparticles1–5. For example, gold nanoparticles decorated with DNA (or with peptides) can create helical assemblies6–9. But without such biological ligands, helices are difficult to achieve and their mecha...
Nanoscale materialsPhysical chemistry
10.1038/S41586-021-03564-6
ISSN:0028-0836

Ag9GaSe6: high-pressure-induced Ag migration causes thermoelectric performance irreproducibility and elimination of such instability

Liu Jing-Yuan•Chen Ling•Wu Li-Ming
Nature Communications
2022
•2022/5/27
•Vol.13 No.1 p.1-10
The argyrodite Ag9GaSe6 is a newly recognized high-efficiency thermoelectric material with an ultralow thermal conductivity; however, liquid-like Ag atoms are believed to cause poor stability and performance irreproducibility, which was evidenced even after the 1st measurement run. Herein, we demons...
Materials scienceThermoelectrics
10.1038/S41467-022-30716-7
ISSN:2041-1723

Facile access to nitroarenes and nitroheteroarenes using N-nitrosaccharin

Roxan Calvo•Kun Zhang•Alessandro Passera•Dmitry Katayev
Nature Communications
2019
•2019/7/30
•Vol.10 No.1 p.1-8
Nitroaromatics and nitroheteroaromatics serve as key building blocks and intermediates in synthesis, and form the core scaffold of a vast number of materials, dyes, explosives, agrochemicals and pharmaceuticals. However, their synthesis relies on harsh methodologies involving excess mineral acids, w...
Computational chemistryHomogeneous catalysisSynthetic chemistry methodology
10.1038/S41467-019-11419-Y
ISSN:2041-1723

Triazenolysis of alkenes as an aza version of ozonolysis

Aleksandr Koronatov•Pavel Sakharov•Deepak Ranolia•Alexander Kaushansky•Natalia Fridman等 6 人
Nature Chemistry
2024
•2024/10/11
•00 p.1-10
Alkenes are broadly used in synthetic applications, thanks to their abundance and versatility. Ozonolysis is one of the most canonical transformations that converts alkenes into molecules bearing carbon–oxygen motifs via C=C bond cleavage. Despite its extensive use in both industrial and laboratory ...
Synthetic chemistry methodologyStructure elucidation
10.1038/S41557-024-01653-3
ISSN:1755-4330

Carbon-silicon-switch effect in enantioselective construction of silicon-stereogenic center from silacyclohexadienones

Yu Yan•Qi Wei•Zhishan Su•Nan-Nan Hang•Tamio Hayashi等 6 人
Nature Communications
2024
•2024/11/15
•Vol.15 No.1 p.1-13
Carbon-silicon-switch strategy, replacing one specific carbon atom in organic molecules with a silicon, has garnered significant interest for developing new functional molecules. However, the influence of a reaction regarding its selectivity and reactivity by carbon-silicon-switch strategy has far l...
Asymmetric synthesisSynthetic chemistry methodologyStereochemistry
10.1038/S41467-024-54241-X
ISSN:2041-1723

Closed-loop recycling of plastics enabled by dynamic covalent diketoenamine bonds

Peter R. Christensen•Angelique M. Scheuermann•Kathryn E. Loeffler•Brett A. Helms
Nature Chemistry
2019
•2019/4/22
•Vol.11 No.5 p.442-448
Recycled plastics are low-value commodities due to residual impurities and the degradation of polymer properties with each cycle of re-use. Plastics that undergo reversible polymerization allow high-value monomers to be recovered and re-manufactured into pristine materials, which should incentivize ...
Polymer synthesisSustainability
10.1038/S41557-019-0249-2
ISSN:1755-4330

Rational design of a robust aluminum metal-organic framework for multi-purpose water-sorption-driven heat allocations

Kyung Ho Cho•D. Damasceno Borges•U-Hwang Lee•Ji Sun Lee•Ji Woong Yoon等 12 人
Nature Communications
2020
•2020/10/9
•Vol.11 No.1 p.1-8
Adsorption-driven heat transfer technology using water as working fluid is a promising eco-friendly strategy to address the exponential increase of global energy demands for cooling and heating purposes. Here we present the water sorption properties of a porous aluminum carboxylate metal-organic fra...
Devices for energy harvestingMetal–organic frameworks
10.1038/S41467-020-18968-7
ISSN:2041-1723

Phosphoric acid-catalyzed atroposelective construction of axially chiral arylpyrroles

Lei Zhang•Shao-Hua Xiang•Jun (Joelle) Wang•Jian Xiao•Jun-Qi Wang等 6 人
Nature Communications
2019
•2019/2/4
•Vol.10 No.1 p.1-10
Axially chiral arylpyrroles are key components of pharmaceuticals and natural products as well as chiral catalysts and ligands for asymmetric transformations. However, the catalytic enantioselective construction of optically active arylpyrroles remains a formidable challenge. Here we disclose a high...
Asymmetric catalysisHomogeneous catalysisSynthetic chemistry methodology
10.1038/S41467-019-08447-Z
ISSN:2041-1723

Iron-catalyzed sequential hydrosilylation

Xue Wang•Jiajin Zhao•Dongyang Wang•Liang Deng•Zhan Lu
Nature Communications
2025
•2025/5/9
•Vol.16 No.1 p.1-11
Highly regio-, diastereo- and enantioselective iron-catalyzed sequential hydrosilylation of o-alk-n-enyl-phenyl silanes with alkynes is reported for various 5-, 6-, and 7-membered benzosilacycles in 60-94% yields with up to 95:5 rr, 95:5 dr, and 99% ee. Chiral fully carbon-substituted silicon-stereo...
Asymmetric synthesisHomogeneous catalysisSynthetic chemistry methodology
10.1038/S41467-025-59364-3
ISSN:2041-1723

Concyclic CH-π arrays for single-axis rotations of a bowl in a tube

Taisuke Matsuno•Masahiro Fujita•Kengo Fukunaga•Sota Sato•Hiroyuki Isobe
Nature Communications
2018
•2018/9/17
•Vol.9 No.1 p.1-8
The hydrogen bond is undoubtedly one of the most important non-covalent interactions. Among the several types of the hydrogen bonds, the CH–π interaction is a relatively new notion that is being recognised in chemistry and biology. Although the CH–π hydrogen bond and conventional hydrogen bonds shar...
Carbon nanotubes and fullerenesMolecular machines and motorsSupramolecular chemistry
10.1038/S41467-018-06270-6
ISSN:2041-1723

Synthesis of aryl-fused bicyclo[3.1.1]heptanes and validation as naphthyl bioisosteres

Aidan Kerckhoffs•Maud Tregear•Pol Hernández-Lladó•Massimiliano Runfola•Holly Shearsmith等 13 人
Nature Chemistry
2026
•2026/5/6
•00 p.1-7
Although naphthalene motifs are frequently encountered in drugs and lead compounds, their flat, sp2-rich nature and susceptibility to cytochrome P450-mediated metabolism often limit their developability. Here we report the study of derivatizable aryl-fused bicyclo[3.1.1]heptanes (BCHeps) as sp3-rich...
Drug discovery and developmentSynthetic chemistry methodology
10.1038/S41557-026-02129-2
ISSN:1755-4330

A cage-on-MOF strategy to coordinatively functionalize mesoporous MOFs for manipulating selectivity in adsorption and catalysis

Yu Liang•Xiaoxin Yang•Xiaoyu Wang•Zong-Jie Guan•Hang Xing等 6 人
Nature Communications
2023
•2023/8/26
•Vol.14 No.1 p.1-14
Functionalizing porous materials with capping agents generates hybrid materials with enhanced properties, while the challenge is how to improve the selectivity and maintain the porosity of the parent framework. Herein, we developed a “Cage-on-MOF” strategy to tune the recognition and catalytic prope...
Metal–organic frameworksSelf-assemblySupramolecular polymers
10.1038/S41467-023-40973-9
ISSN:2041-1723

Differentiation and functionalization of remote C–H bonds in adjacent positions

Hang Shi•Yi Lu•Jiang Weng•Katherine L. Bay•Xiangyang Chen等 9 人
Nature Chemistry
2020
•2020/3/2
•Vol.12 No.4 p.399-404
Site-selective functionalization of C–H bonds will ultimately afford chemists transformative tools for editing and constructing complex molecular architectures. Towards this goal, it is essential to develop strategies to activate C–H bonds that are distal from a functional group. In this context, di...
CatalysisSynthetic chemistry methodologyReaction mechanisms
10.1038/S41557-020-0424-5
ISSN:1755-4330

Cobalt catalyzed practical hydroboration of terminal alkynes with time-dependent stereoselectivity

Jinglan Wen•Yahao Huang•Yu Zhang•Hansjörg Grützmacher•Peng Hu
Nature Communications
2024
•2024/3/12
•Vol.15 No.1 p.1-10
Stereodefined vinylboron compounds are important organic synthons. The synthesis of E−1-vinylboron compounds typically involves the addition of a B-H bond to terminal alkynes. The selective generation of the thermodynamically unfavorable Z-isomers remains challenging, necessitating improved methods....
Catalytic mechanismsHomogeneous catalysisSynthetic chemistry methodology
10.1038/S41467-024-46550-Y
ISSN:2041-1723

Planar three-coordinate iron sulfide in a synthetic [4Fe-3S] cluster with biomimetic reactivity

Daniel E. DeRosha•Vijay G. Chilkuri•Casey Van Stappen•Eckhard Bill•Brandon Q. Mercado等 8 人
Nature Chemistry
2019
•2019/10/14
•Vol.11 No.11 p.1019-1025
Iron–sulfur clusters are emerging as reactive sites for the reduction of small-molecule substrates. However, the four-coordinate iron sites of typical iron–sulfur clusters rarely react with substrates, implicating three-coordinate iron. This idea is untested because fully sulfide-coordinated three-c...
Biomimetic synthesisCoordination chemistryCrystal field theoryMetalloproteins
10.1038/S41557-019-0341-7
ISSN:1755-4330

Circular polarized light-dependent anomalous photovoltaic effect from achiral hybrid perovskites

Zhu Tingting•Bie Jie•Ji Chengmin•Zhang Xinyuan•Li Lina等 10 人
Nature Communications
2022
•2022/12/13
•Vol.13 No.1 p.1-8
Circular polarized light-dependent anomalous bulk photovoltaic effect - a steady anomalous photovoltaic current can be manipulated by changing the light helicity, is an increasingly interesting topic in contexts ranging from physics to chemistry. Herein, circular polarized light-dependent anomalous ...
Optical materialsPhotonic crystals
10.1038/S41467-022-35441-9
ISSN:2041-1723

Tunable acetylene sorption by flexible catenated metal–organic frameworks

Bonneau Mickaele•Lavenn Christophe•Zheng Jia-Jia•Legrand Alexandre•Ogawa Tomofumi等 11 人
Nature Chemistry
2022
•2022/4/21
•00 p.1-7
The safe storage of flammable gases, such as acetylene, is essential for current industrial purposes. However, the narrow pressure (P) and temperature range required for the industrial use of pure acetylene (100 < P < 200 kPa at 298 K) and its explosive behaviour at higher pressures make its s...
Chemical safetyCoordination chemistryMetal–organic frameworks
10.1038/S41557-022-00928-X
ISSN:1755-4330

A solution processible single-crystal porous organic polymer

Liu Bai-Tong•Gong Sheng-Hao•Jiang Xiao-Tian•Zhang Yuan•Wang Rui等 11 人
Nature Synthesis
2023
•2023/5/4
•00 p.1-7
Synthetic organic polymers are typically insoluble polycrystalline or amorphous products rather than single crystals. Here we demonstrate that covalent polymer chains can achieve single-crystal form through the rational design of their hierarchical structure. Single-crystal X-ray diffraction analysi...
Crystal engineeringMaterials chemistryMaterials science
10.1038/S44160-023-00316-4
ISSN:2731-0582

Conformational enantiodiscrimination for asymmetric construction of atropisomers

Cen Shouyi•Huang Nini•Lian Dongsheng•Shen Ahui•Zhao Mei-Xin等 6 人
Nature Communications
2022
•2022/8/12
•Vol.13 No.1 p.1-7
Molecular conformations induced by the rotation about single bonds play a crucial role in chemical transformations. Revealing the relationship between the conformations of chiral catalysts and the enantiodiscrimination is a formidable challenge due to the great difficulty in isolating the conformers...
Asymmetric catalysisSynthetic chemistry methodology
10.1038/S41467-022-32432-8
ISSN:2041-1723

Soft corrugated channel with synergistic exclusive discrimination gating for CO2 recognition in gas mixture

Yifan Gu•Jia-Jia Zheng•Ken-ichi Otake•Shigeyoshi Sakaki•Hirotaka Ashitani等 12 人
Nature Communications
2023
•2023/7/15
•Vol.14 No.1 p.1-12
Developing artificial porous systems with high molecular recognition performance is critical but very challenging to achieve selective uptake of a particular component from a mixture of many similar species, regardless of the size and affinity of these competing species. A porous platform that integ...
Metal–organic frameworksStructural materials
10.1038/S41467-023-39470-W
ISSN:2041-1723

Construction of planar chiral [2,2]paracyclophanes via photoinduced cobalt-catalyzed desymmetric addition

Shi-Qi Liu•Wei Xiong•Ji-Chao Huang•Xuan Jiang•Wenhan Xu等 10 人
Nature Communications
2025
•2025/4/29
•Vol.16 No.1 p.1-13
Planar chiral [2,2]paracyclophanes (PCPs) are widely used in materials science and asymmetric syntheses. Therefore, synthetic and material chemists have focused on the efficient and selective construction of planar chiral PCPs for decades. Herein, we present a photoinduced cobalt-catalyzed desymmetr...
Synthetic chemistry methodologyPhotocatalysis
10.1038/S41467-025-59089-3
ISSN:2041-1723

Non-enzymatic catalytic asymmetric cyanation of acylsilanes

Nagano Tagui•Matsumoto Akira•Yoshizaki Ryotaro•Asano Keisuke•Matsubara Seijiro
Communications Chemistry
2022
•2022/3/31
•Vol.5 No.1 p.1-9
The asymmetric cyanation of acylsilanes affords densely functionalized tetrasubstituted chiral carbon centers bearing silyl, cyano, and hydroxy groups, which are of particular interest in synthetic and medicinal chemistry. However, this method has been limited to a few enzymatic approaches, which em...
Asymmetric catalysisSynthetic chemistry methodologyOrganocatalysis
10.1038/S42004-022-00662-Y
ISSN:2399-3669

Enzyme-catalysed [6+4] cycloadditions in the biosynthesis of natural products

Bo Zhang•Kai Biao Wang•Wen Wang•Xin Wang•Fang Liu等 17 人
Nature
2019
•2019/3/13
•Vol.568 No.7750 p.122-126
Pericyclic reactions are powerful transformations for the construction of carbon–carbon and carbon–heteroatom bonds in organic synthesis. Their role in biosynthesis is increasingly apparent, and mechanisms by which pericyclases can catalyse reactions are of major interest1. [4+2] cycloadditions (Die...
BiosynthesisReaction mechanisms
10.1038/S41586-019-1021-X
ISSN:0028-0836

Ligand-controlled regiodivergent arylation of aryl(alkyl)alkynes and asymmetric synthesis of axially chiral 9-alkylidene-9,10-dihydroanthracenes

Chao Sun•Ting Qi•Faiz-Ur Rahman•Tamio Hayashi•Jialin Ming
Nature Communications
2024
•2024/10/29
•Vol.15 No.1 p.1-11
Transition metal-catalyzed addition of organometallics to aryl(alkyl)alkynes has been well known to proceed with the regioselectivity in forming a carbon–carbon bond at the alkyl-substituted carbon (β-addition). Herein, the reverse regiochemistry with high selectivity in giving 1,1-diarylalkenes (α-...
Asymmetric catalysisSynthetic chemistry methodology
10.1038/S41467-024-53767-4
ISSN:2041-1723

Split cross-coupling via Rh-catalysed activation of unstrained aryl–aryl bonds

Congjun Yu•Zining Zhang•Guangbin Dong
Nature Catalysis
2024
•2024/3/11
•00 p.1-9
Constructive functionalization of unstrained aryl–aryl bonds has been a fundamental challenge in organic synthesis due to the inertness of these bonds. Here we report a split cross-coupling strategy that allows twofold arylation with diverse aryl iodides through cleaving unstrained aryl–aryl bonds o...
Homogeneous catalysisSynthetic chemistry methodology
10.1038/S41929-024-01120-9
ISSN:2520-1158

Photodegradable glyco-microfibers fabricated by the self-assembly of cellobiose derivatives bearing nitrobenzyl groups

Bioru Okumura•Eriko Yamaguchi•Naoko Komura•Taku Ohtomi•Shin-ichiro Kawano等 9 人
Communications Materials
2024
•2024/9/10
•Vol.5 No.1 p.1-10
Stimuli-responsive materials constructed via the self-assembly of small biomolecules are attracting increasing attention because of their biocompatibility, sustainability, and variety of (bio)applications. Nevertheless, the research on oligosaccharide-based molecular designs for such stimuli-respons...
Molecular self-assemblySupramolecular chemistry
10.1038/S43246-024-00622-0
ISSN:2662-4443

Regulating the electronic structure of covalent organic frameworks via heterocyclic isomers for highly efficient photocatalytic H2O2 generation

Yujun Ju•Hailong Lin•Guoying Tan•Pingru Su•Zhe Wang等 10 人
Nature Communications
2025
•2025/7/1
•Vol.16 No.1 p.1-11
Covalent organic frameworks (COFs) are promising materials for photocatalytic hydrogen peroxide (H2O2) production. However, optimizing their electronic structures to enhance charge separation, oxygen adsorption, and reaction efficiency remains a challenge. Here we show that incorporating thiophene a...
Photocatalysis
10.1038/S41467-025-60960-6
ISSN:2041-1723

Atomic-level handedness determination of chiral crystals using aberration-corrected scanning transmission electron microscopy

Zhuoya Dong•Yanhang Ma
Nature Communications
2020
•2020/3/27
•Vol.11 No.1 p.1-6
Handedness or chirality determination is a challenging and important topic in various fields including chemistry and biology, as two enantiomers have the same composition and mirror symmetry related structures, but might show totally different activities and properties in enantioselective separation...
Inorganic chemistryMaterials chemistryNanoparticles
10.1038/S41467-020-15388-5
ISSN:2041-1723

Growing single crystals of two-dimensional covalent organic frameworks enabled by intermediate tracing study

Kang Chengjun•Yang Kuiwei•Zhang Zhaoqiang•Usadi Adam K.•Calabro David C.等 11 人
Nature Communications
2022
•2022/3/16
•Vol.13 No.1 p.1-9
Resolving single-crystal structures of two-dimensional covalent organic frameworks (2D COFs) is a great challenge, hindered in part by limited strategies for growing high-quality crystals. A better understanding of the growth mechanism facilitates development of methods to grow high-quality 2D COF s...
Characterization and analytical techniquesPolymer synthesisPolymers
10.1038/S41467-022-29086-X
ISSN:2041-1723

A metal–organic framework that exhibits CO 2 -induced transitions between paramagnetism and ferrimagnetism

Jun Zhang•Wataru Kosaka•Yasutaka Kitagawa•Hitoshi Miyasaka
Nature Chemistry
2020
•2020/11/30
•Vol.13 No.2 p.191-199
With adequate building blocks, metal–organic frameworks (MOFs) can combine magnetic ordering and porosity. This makes MOFs a promising platform for the development of stimuli-responsive materials that show drastically different magnetic properties depending on the presence or absence of guest molecu...
Electron transferMagnetic materialsMetal–organic frameworks
10.1038/S41557-020-00577-Y
ISSN:1755-4330

A hexagonal planar transition-metal complex

Martí Garçon•Clare Bakewell•George A. Sackman•Andrew J. P. White•Richard I. Cooper等 7 人
Nature
2019
•2019/10/9
•Vol.574 No.7778 p.390-393
Transition-metal complexes are widely used in the physical and biological sciences. They have essential roles in catalysis, synthesis, materials science, photophysics and bioinorganic chemistry. Our understanding of transition-metal complexes originates from Alfred Werner’s realization that their th...
Chemical bondingCoordination chemistryInorganic chemistryOrganometallic chemistry
10.1038/S41586-019-1616-2
ISSN:0028-0836

Atroposelective interrupted CuAAC reaction using cyclic diaryliodoniums

Yuanyuan Li•Shan Yang•Longhui Duan•Zhenhua Gu
Nature Communications
2026
•2026/1/24
•Vol.17 No.1 p.9440
Copper-catalyzed azide–alkyne cycloaddition (CuAAC) is a pivotal strategy for joining two fragments, including bioactive moieties under mild conditions. In recent years, “interrupted” CuAAC reaction has emerged by intercepting copper triazolide intermediates, thereby significantly broadening the sco...
Homogeneous catalysisSynthetic chemistry methodologyStereochemistry
10.1038/S41467-026-68574-2
ISSN:2041-1723

Isolated carbon(I) species featuring a carbone cation radical

Yi-Chen Chan•He-Xin Xiao•Lei Qin•Jiun-Shian Shen•Chen-Rui Yang等 12 人
Nature Synthesis
2025
•2025/6/13
•00 p.1-10
Carbynes, characterized by their radical and carbene attributes, possess three non-bonding electrons and have garnered substantial scientific interest. The high reactivity and complex hybridization of valence orbitals in carbynes have impeded the isolation of free carbon(I) species. Carbodicarbenes ...
Chemical bondingCross-coupling reactionsStructure elucidation
10.1038/S44160-025-00824-5
ISSN:2731-0582

Access to cationic polyhedral carboranes via dynamic cage surgery with N-heterocyclic carbenes

Vrána Jan•Holub Josef•Samsonov Maksim A.•Růžičková Zdeňka•Cvačka Josef等 9 人
Nature Communications
2021
•2021/8/17
•Vol.12 No.1 p.1-7
Polyhedral boranes and heteroboranes appear almost exclusively as neutral or anionic species, while the cationic ones are protonated at exoskeletal heteroatoms or they are instable. Here we report the reactivity of 10-vertex closo-dicarbadecaboranes with one or two equivalents of N-heterocyclic carb...
Chemical bondingLigands
10.1038/S41467-021-25277-0
ISSN:2041-1723

Metastable 1T′-phase group VIB transition metal dichalcogenide crystals

Zhuangchai Lai•Qiyuan He•Thu Ha Tran•D. V. Maheswar Repaka•Dong-Dong Zhou等 27 人
Nature Materials
2021
•2021/4/15
•00 p.1-8
Metastable 1T′-phase transition metal dichalcogenides (1T′-TMDs) with semi-metallic natures have attracted increasing interest owing to their uniquely distorted structures and fascinating phase-dependent physicochemical properties. However, the synthesis of high-quality metastable 1T′-TMD crystals, ...
Electronic devicesTwo-dimensional materials
10.1038/S41563-021-00971-Y
ISSN:1476-1122

SulfoxFluor-enabled deoxyazidation of alcohols with NaN3

Guo Junkai•Wang Xiu•Ni Chuanfa•Wan Xiaolong•Hu Jinbo
Nature Communications
2022
•2022/5/18
•Vol.13 No.1 p.1-8
Direct deoxyazidation of alcohols with NaN3 is a straightforward method for the synthesis of widely used alkyl azides in organic chemistry. However, known methods have some limitations such as high reaction temperatures and narrow substrate scope. Herein, a general and practical method for the prepa...
Synthetic chemistry methodologyChemical synthesis
10.1038/S41467-022-30132-X
ISSN:2041-1723

Janus-type emission from a cyclometalated iron(iii) complex

Steube Jakob•Kruse Ayla•Bokareva Olga S.•Reuter Thomas•Demeshko Serhiy等 14 人
Nature Chemistry
2023
•2023/2/27
•00 p.1-7
Although iron is a dream candidate to substitute noble metals in photoactive complexes, realization of emissive and photoactive iron compounds is demanding due to the fast deactivation of their charge-transfer states. Emissive iron compounds are scarce and dual emission has not been observed before....
Density functional theoryExcited statesLight harvestingPhotocatalysisSustainability
10.1038/S41557-023-01137-W
ISSN:1755-4330

Deacylative transformations of ketones via aromatization-promoted C–C bond activation

Yan Xu•Xiaotian Qi•Pengfei Zheng•Carlo C. Berti•Peng Liu等 6 人
Nature
2019
•2019/1/30
•Vol.567 No.7748 p.373-378
Carbon–hydrogen (C–H) and carbon–carbon (C–C) bonds are the main constituents of organic matter. Recent advances in C–H functionalization technology have vastly expanded our toolbox for organic synthesis1. By contrast, C–C activation methods that enable editing of the molecular skeleton remain limit...
Homogeneous catalysisSynthetic chemistry methodology
10.1038/S41586-019-0926-8
ISSN:0028-0836

From Ru-bda to Ru-bds: a step forward to highly efficient molecular water oxidation electrocatalysts under acidic and neutral conditions

Jing Yang•Lei Wang•Shaoqi Zhan•Haiyuan Zou•Hong Chen等 8 人
Nature Communications
2021
•2021/1/14
•Vol.12 No.1 p.1-10
Significant advances during the past decades in the design and studies of Ru complexes with polypyridine ligands have led to the great development of molecular water oxidation catalysts and understanding on the O−O bond formation mechanisms. Here we report a Ru-based molecular water oxidation cataly...
CatalysisChemistryCoordination chemistryElectrochemistry
10.1038/S41467-020-20637-8
ISSN:2041-1723

Dehydroxy-Perfluoro-tert-butylation of alcohols with PhSO2C(CF3)3 and insights into the structure of the [C(CF3)3]− anion

Kaidi Zhu•Qinyu Luo•Pengcheng Xu•Zhigang Ni•Shuo Sun等 8 人
Nature Communications
2025
•2025/8/26
•Vol.16 No.1 p.1-9
Branched PFOA and PFOS have shorter half-lives, lower toxicity, and weaker serum protein binding than linear ones, offering better environmental and health safety. Yet methods to access such branched motifs remain under developed. We now introduce a one-step dehydroxy-perfluoro-tert-butylation of al...
Synthetic chemistry methodologyReaction mechanisms
10.1038/S41467-025-63180-0
ISSN:2041-1723

Heteroatom-bridged molecular belts as containers

Jialin Xie•Xia Li•Shenghua Wang•Anquan Li•Long Jiang等 6 人
Nature Communications
2020
•2020/7/3
•Vol.11 No.1 p.1-6
Hoop-shaped or belt-like molecules have been fascinating not only due to their challenging synthesis, but also unique physical and chemical properties. The incorporation of heteroatoms (N, O, S, etc.) into these belts could alter both molecular structures and electronic properties which will lead to...
Organic chemistrySupramolecular chemistry
10.1038/S41467-020-17134-3
ISSN:2041-1723

Enhanced reactivity of twisted amides inside a molecular cage

Hiroki Takezawa•Kosuke Shitozawa•Makoto Fujita
Nature Chemistry
2020
•2020/4/20
•Vol.12 No.6 p.574-578
When an amide group is distorted from its planar conformation, the conjugation between the nitrogen lone pair and the π* orbital of the carbonyl is disrupted and the reactivity towards nucleophiles is enhanced. Although there are several reports on the synthesis of activated twisted amides, amide ac...
ChemistryCoordination chemistryOrganic chemistrySupramolecular chemistry
10.1038/S41557-020-0455-Y
ISSN:1755-4330

Enantioselective Rhodium-Catalyzed Cycloisomerization of 1,6-Allenynes to access 5/6-Fused Bicycle[4.3.0]nonadienes

Xu Deng•Li-Yang Shi•Jialing Lan•Yu-Qing Guan•Xiaoyong Zhang等 8 人
Nature Communications
2019
•2019/2/27
•Vol.10 No.1 p.1-10
Transition-metal-catalyzed cycloisomerization of 1,n-allenynes represents a powerful synthetic tool to rapidly assemble complex polycyclic skeletons from simple linear substrates. Nevertheless, there are no reports of the asymmetric version of these reactions. Moreover, most of these reactions proce...
Asymmetric catalysisSynthetic chemistry methodologyReaction mechanisms
10.1038/S41467-019-08900-Z
ISSN:2041-1723

Regio- and enantioselective CuH-catalyzed 1,2- and 1,4-hydrosilylation of 1,3-enynes

Zi-Lu Wang•Qi Li•Meng-Wei Yang•Zhao-Xin Song•Zhen-Yu Xiao等 8 人
Nature Communications
2023
•2023/8/19
•Vol.14 No.1 p.1-12
We report a copper-catalyzed ligand-controlled selective 1,2- and 1,4-hydrosilylation of 1,3-enynes, which furnishes enantiomerically enriched propargyl- and 1,2-allenylsilane products in high yields with excellent enantioselectivities (up to 99% ee). This reaction proceeds under mild conditions, sh...
Synthetic chemistry methodologyReaction mechanismsStereochemistry
10.1038/S41467-023-40703-1
ISSN:2041-1723

D-O-A based organic phosphors for both aggregation-induced electrophosphorescence and host-free sensitization

Xu Lulin•Mo Yuhang•Su Ning•Shi Changshen•Sun Ning等 9 人
Nature Communications
2023
•2023/3/25
•Vol.14 No.1 p.1-9
Pure organic phosphors capable of room-temperature phosphorescence show a great potential in organic light-emitting diodes, while it is limited by the big challenge to realize efficient electroluminescence under electric excitation. Herein, we develop a class of organic phosphors based on acridine a...
Electronic devicesOptical materials
10.1038/S41467-023-37414-Y
ISSN:2041-1723

Unconventional hexagonal open Prussian blue analog structures

Jinwen Yin•Jing Wang•Mingzi Sun•Yajie Yang•Jia Lyu等 30 人
Nature Communications
2025
•2025/1/3
•Vol.16 No.1 p.1-11
Prussian blue analogs (PBAs), as a classical kind of microporous materials, have attracted substantial interests considering their well-defined framework structures, unique physicochemical properties and low cost. However, PBAs typically adopt cubic structure that features small pore size and low sp...
Metal–organic frameworksPorous materialsSynthesis and processing
10.1038/S41467-024-55775-W
ISSN:2041-1723

Direct synthesis of cyanate anion from dinitrogen catalysed by molybdenum complexes bearing pincer-type ligand

Itabashi Takayuki•Arashiba Kazuya•Egi Akihito•Tanaka Hiromasa•Sugiyama Keita等 9 人
Nature Communications
2022
•2022/10/24
•Vol.13 No.1 p.1-10
Dinitrogen is an abundant and promising material for valuable organonitrogen compounds containing carbon–nitrogen bonds. Direct synthetic methods for preparing organonitrogen compounds from dinitrogen as a starting reagent under mild reaction conditions give insight into the sustainable production o...
Organometallic chemistry
10.1038/S41467-022-33809-5
ISSN:2041-1723

Metal-free electrochemical dihydroxylation of unactivated alkenes

Min Liu•Tian Feng•Yanwei Wang•Guangsheng Kou•Qiuyan Wang等 7 人
Nature Communications
2023
•2023/10/13
•Vol.14 No.1 p.1-9
Herein, a metal-free electrochemical dihydroxylation of unactivated alkenes is described. The transformation proceeds smoothly under mild conditions with a broad range of unactivated alkenes, providing valuable and versatile dihydroxylated products in moderate to good yields without the addition of ...
ElectrocatalysisSynthetic chemistry methodology
10.1038/S41467-023-42106-8
ISSN:2041-1723

Mapping out the key carbon–carbon bond-forming steps in Mn-catalysed C–H functionalization

L. Anders Hammarback•Ian P. Clark•Igor V. Sazanovich•Michael Towrie•Alan Robinson等 9 人
Nature Catalysis
2018
•2018/10/8
•Vol.1 No.11 p.830-840
Detailed understanding of the mechanistic processes that underpin transition metal-catalysed reactions allows for the rational and de novo development of complexes with enhanced activity, efficacy and wider substrate scope. Directly observing bond-cleaving and -forming events underpinning a catalyti...
Catalytic mechanismsHomogeneous catalysisOrganometallic chemistry
10.1038/S41929-018-0145-Y
ISSN:2520-1158

Enantioselective three-component aminomethylation of α-diazo ketones with alcohols and 1,3,5-triazines

Jiuwei Che•Li Niu•Shikun Jia•Dong Xing•Wenhao Hu
Nature Communications
2020
•2020/3/23
•Vol.11 No.1 p.1-9
Enantioselective α-aminomethylation of carbonyl compounds constitutes a powerful protocol for introducing aminomethyl groups to simple organic molecules. However, current strategies rely on nucleophile-based enantioselective activation with inherently activated substrates only, and enantioselective ...
Asymmetric catalysisHomogeneous catalysisSynthetic chemistry methodology
10.1038/S41467-020-15345-2
ISSN:2041-1723

A robust zirconium amino acid metal-organic framework for proton conduction

Sujing Wang•Mohammad Wahiduzzaman•Louisa Davis•Antoine Tissot•William Shepard等 11 人
Nature Communications
2018
•2018/11/22
•Vol.9 No.1 p.1-8
Proton conductive materials are of significant importance and highly desired for clean energy-related applications. Discovery of practical metal-organic frameworks (MOFs) with high proton conduction remains a challenge due to the use of toxic chemicals, inconvenient ligand preparation and complicati...
Fuel cellsMetal–organic frameworksPorous materialsRenewable energy
10.1038/S41467-018-07414-4
ISSN:2041-1723

Field-induced quantum critical point in the itinerant antiferromagnet Ti3Cu4

Moya Jaime M.•Hallas Alannah M.•Loganathan Vaideesh•Huang C.-L.•Kish Lazar L.等 16 人
Communications Physics
2022
•2022/5/31
•Vol.5 No.1 p.1-10
New phases of matter emerge at the edge of magnetic instabilities, which can occur in materials with moments that are localized, itinerant or intermediate between these extremes. In local moment systems, such as heavy fermions, the magnetism can be tuned towards a zero-temperature transition at a qu...
Magnetic properties and materialsPhase transitions and critical phenomena
10.1038/S42005-022-00901-7
ISSN:2399-3650

Catalytic enantiocontrol over a non-classical carbocation

Roberta Properzi•Philip S. J. Kaib•Markus Leutzsch•Gabriele Pupo•Raja Mitra等 9 人
Nature Chemistry
2020
•2020/9/28
•Vol.12 No.12 p.1174-1179
Carbocations can be categorized into classical carbenium ions and non-classical carbonium ions. These intermediates are ubiquitous in reactions of both fundamental and practical relevance, finding application in the petroleum industry as well as the discovery of new drugs and materials. Conveying st...
Asymmetric catalysisOrganocatalysisStereochemistry
10.1038/S41557-020-00558-1
ISSN:1755-4330

Multicomponent synthesis of tertiary alkylamines by photocatalytic olefin-hydroaminoalkylation

Aaron Trowbridge•Dominik Reich•Matthew J. Gaunt
Nature
2018
•2018/9/26
•Vol.561 No.7724 p.522-527
There is evidence to suggest that increasing the level of saturation (that is, the number of sp3-hybridized carbon atoms) of small molecules can increase their likelihood of success in the drug discovery pipeline1. Owing to their favourable physical properties, alkylamines have become ubiquitous amo...
Synthetic chemistry methodologyPhotocatalysis
10.1038/S41586-018-0537-9
ISSN:0028-0836

Site-selective Ru-catalysed saturation of unactivated arenes via directed 6π activation

Congjun Yu•Linda Yiu•Zining Zhang•Guangbin Dong
Nature Catalysis
2025
•2025/8/28
•00 p.1-8
Directing group-based strategies have proven highly effective for site-selective functionalization of π bonds in alkenes and carbonyls, as well as C–H and C–C bonds, but have yet to be demonstrated for unactivated aromatic π-systems. Meanwhile, catalytic hydrogenation of arenes to their correspondin...
Homogeneous catalysisSynthetic chemistry methodology
10.1038/S41929-025-01404-8
ISSN:2520-1158

Precise heteroatom doping determines aqueous solubility and self-assembly behaviors for polycyclic aromatic skeletons

Li Kang•Hu Jia-Min•Qin Wei-Min•Guo Jing•Cai Yue-Peng
Communications Chemistry
2022
•2022/8/29
•Vol.5 No.1 p.1-7
Developing effective strategies to improve the hydrophilicity or aqueous solubility of hydrophobic molecular scaffolds is meaningful for both academic research and industrial applications. Herein, we demonstrate that stepwise and precise N/O heteroatoms doping on a polycyclic aromatic skeleton can g...
Chemical physicsMaterials chemistryNanoscale materialsSelf-assembly
10.1038/S42004-022-00724-1
ISSN:2399-3669

Preclinical evaluation of the SARS-CoV-2 Mpro inhibitor RAY1216 shows improved pharmacokinetics compared with nirmatrelvir

Xiaoxin Chen•Xiaodong Huang•Qinhai Ma•Petr Kuzmič•Biao Zhou等 33 人
Nature Microbiology
2024
•2024/3/29
•Vol.9 No.4 p.1075-1088
Although vaccines are available for SARS-CoV-2, antiviral drugs such as nirmatrelvir are still needed, particularly for individuals in whom vaccines are less effective, such as the immunocompromised, to prevent severe COVID-19. Here we report an α-ketoamide-based peptidomimetic inhibitor of the SARS...
Enzyme mechanismsProteasesX-ray crystallography
10.1038/S41564-024-01618-9
ISSN:2058-5276

Methane storage using metal–dipyrazolate frameworks

Xiang-Jing Kong•Varvara I. Nikolayenko•Alan C. Eaby•Lenore Miller•Debobroto Sensharma等 17 人
Nature Materials
2026
•2026/6/18
•00 p.1-9
Adsorbed natural gas storage using porous materials at ambient temperature and relatively low pressure promises to address safety and cost concerns of conventional natural gas storage technologies (liquefaction and compression), but its utility is hindered by low deliverable capacity. Flexible porou...
Metal–organic frameworks
10.1038/S41563-026-02621-7
ISSN:1476-1122

Complexation-driven assembly of imine-linked helical receptors showing adaptive folding and temperature-dependent guest selection

Geunmoo Song•Seungwon Lee•Kyu-Sung Jeong
Nature Communications
2024
•2024/2/19
•Vol.15 No.1 p.1-10
The development of synthetic receptors capable of selectively binding guests with diverse structures and multiple functional groups poses a significant challenge. Here, we present the efficient assembly of foldamer-based receptors for monosaccharides, utilising the principles of complexation-induced...
Molecular capsulesOrganic molecules in materials scienceSupramolecular chemistry
10.1038/S41467-024-45322-Y
ISSN:2041-1723

Intercepting an avoided α-iminol rearrangement with a Petasis reaction for the synthesis of 2,3-diaryl substituted indoles

Hui-Min Zhu•Tong Lei•Zhi-Xin Liao•Jia-Chen Xiang•An-Xin Wu
Communications Chemistry
2025
•2025/5/15
•Vol.8 No.1 p.1-10
Rearrangement reactions are generally considered to be a rapid and synergistic intramolecular reconstructing process that is insensitive to intermolecular intruders. We report that α-iminol rearrangements could be strategically redirected by the interception of Petasis reactions, in the context of b...
Homogeneous catalysisSynthetic chemistry methodologyReaction mechanisms
10.1038/S42004-025-01528-9
ISSN:2399-3669

Catalytic synthesis of phenols with nitrous oxide

Le Vaillant Franck•Mateos Calbet Ana•González-Pelayo Silvia•Reijerse Edward J.•Ni Shengyang等 7 人
Nature
2022
•2022/4/27
•Vol.604 No.7907 p.677-683
The development of catalytic chemical processes that enable the revalorization of nitrous oxide (N2O) is an attractive strategy to alleviate the environmental threat posed by its emissions1–6. Traditionally, N2O has been considered an inert molecule, intractable for organic chemists as an oxidant or...
Homogeneous catalysisSynthetic chemistry methodology
10.1038/S41586-022-04516-4
ISSN:0028-0836

Bismuth radical catalysis in the activation and coupling of redox-active electrophiles

Mauro Mato•Davide Spinnato•Markus Leutzsch•Hye Won Moon•Edward J. Reijerse等 6 人
Nature Chemistry
2023
•2023/6/1
•00 p.1-8
Radical cross-coupling reactions represent a revolutionary tool to make C(sp3)–C and C(sp3)–heteroatom bonds by means of transition metals and photoredox or electrochemical approaches. However, the use of main-group elements to harness this type of reactivity has been little explored. Here we show h...
Catalytic mechanismsHomogeneous catalysis
10.1038/S41557-023-01229-7
ISSN:1755-4330

Nucleophilic reactivity of a copper(II)-hydroperoxo complex

Bohee Kim•Donghyun Jeong•Takehiro Ohta•Jaeheung Cho
Communications Chemistry
2019
•2019/7/18
•Vol.2 No.1 p.1-6
Copper(II)-hydroperoxo species are often detected as key intermediates in metalloenzymes and biomimetic compounds containing copper. However, the only reactivity has previously been observed for the copper(II)-hydroperoxo complexes is electrophilic, occurring through O-O bond cleavage. Here we repor...
Bioinorganic chemistryReaction mechanisms
10.1038/S42004-019-0187-3
ISSN:2399-3669

[Hg3Se2]2- cluster drives giant optical anisotropy and broad infrared transparency

Qixian Ren•Chen Cui•Xinchen Chen•Yabo Wu•Ran An等 7 人
Nature Communications
2026
•2026/1/6
•Vol.17 No.1 p.400
Optical anisotropy, a fundamental physical property for polarization control, has long presented a critical consideration in the development of optical materials, particularly in terms of its modulation mechanisms and performance optimization. In the mid- to far-infrared region, simultaneo...
Materials chemistryMaterials for optics
10.1038/S41467-025-66148-2
ISSN:2041-1723

Reversing conventional site-selectivity in C( sp 3 )–H bond activation

Guoqin Xia•Jiang Weng•Luoyan Liu•Pritha Verma•Ziqi Li等 6 人
Nature Chemistry
2019
•2019/4/15
•Vol.11 No.6 p.571-577
One of the core barriers to developing C–H activation reactions is the ability to distinguish between multiple C–H bonds that are nearly identical in terms of electronic properties and bond strengths. Through recognition of distance and molecular geometry, remote C(sp2)–H bonds have been selectively...
Homogeneous catalysisSynthetic chemistry methodology
10.1038/S41557-019-0245-6
ISSN:1755-4330

A 16-step synthesis of the isoryanodane diterpene (+)-perseanol

Arthur Han•Yujia Tao•Sarah E. Reisman
Nature
2019
•2019/9/25
•Vol.573 No.7775 p.563-567
(+)-Perseanol is an isoryanodane diterpene that is isolated from the tropical shrub Persea indica1 and has potent antifeedant and insecticidal properties. It is structurally related to (+)-ryanodine, which is a high-affinity ligand for and modulator of ryanodine receptors—ligand-gated ion channels t...
Natural product synthesis
10.1038/S41586-019-1580-X
ISSN:0028-0836

Interchain-expanded extra-large-pore zeolites

Zihao Rei Gao•Huajian Yu•Fei-Jian Chen•Alvaro Mayoral•Zijian Niu等 22 人
Nature
2024
•2024/3/27
•00 p.1-5
Stable aluminosilicate zeolites with extra-large pores that are open through rings of more than 12 tetrahedra could be used to process molecules larger than those currently manageable in zeolite materials. However, until very recently1–3, they proved elusive. In analogy to the interlayer expans...
Chemical engineeringChemical physicsHeterogeneous catalysisPorous materials
10.1038/S41586-024-07194-6
ISSN:0028-0836

The natural pyrazolotriazine pseudoiodinine from Pseudomonas mosselii 923 inhibits plant bacterial and fungal pathogens

Yang Ruihuan•Shi Qing•Huang Tingting•Yan Yichao•Li Shengzhang等 15 人
Nature Communications
2023
•2023/2/9
•Vol.14 No.1 p.1-16
Natural products largely produced by Pseudomonads-like soil-dwelling microorganisms are a consistent source of antimicrobial metabolites and pesticides. Herein we report the isolation of Pseudomonas mosselii strain 923 from rice rhizosphere soils of paddy fields, which specifically inhibit the growt...
AntibioticsApplied microbiologyBiosynthesisSecondary metabolism
10.1038/S41467-023-36433-Z
ISSN:2041-1723

Double aromaticity arising from σ- and π-rings

Shunsuke Furukawa•Masahiro Fujita•Yoshihiko Kanatomi•Mao Minoura•Miho Hatanaka等 8 人
Communications Chemistry
2018
•2018/9/27
•Vol.1 No.1 p.1-7
Aromaticity has been a central concept in chemistry since the discovery of benzene in the 19th century and has impacted the science of delocalized π-electron systems. The aromaticity of conventional aromatic compounds usually originates from electron delocalization through a single ring that consist...
Chemical bondingComputational chemistry
10.1038/S42004-018-0057-4
ISSN:2399-3669

A general strategy for diversifying complex natural products to polycyclic scaffolds with medium-sized rings

Changgui Zhao•Zhengqing Ye•Zhi-xiong Ma•Scott A. Wildman•Stephanie A. Blaszczyk等 8 人
Nature Communications
2019
•2019/9/5
•Vol.10 No.1 p.1-10
The interrogation of complex biological pathways demands diverse small molecule tool compounds, which can often lead to important therapeutics for the treatment of human diseases. Since natural products are the most valuable source for the discovery of therapeutics, the derivatization of natural pro...
CheminformaticsCombinatorial librariesDiversity-oriented synthesisNatural product synthesis
10.1038/S41467-019-11976-2
ISSN:2041-1723

Counteranion-mediated efficient iodine capture in a hexacationic imidazolium organic cage enabled by multiple non-covalent interactions

Jian Yang•Shao-Jun Hu•Li-Xuan Cai•Li-Peng Zhou•Qing-Fu Sun
Nature Communications
2023
•2023/9/28
•Vol.14 No.1 p.1-8
Developing efficient adsorbents to capture radioactive iodine produced from nuclear wastes is highly desired. Here we report the facial synthesis of a hexacationic imidazolium organic cage and its iodine adsorption properties. Crucial role of counteranions has been disclosed for iodine capture with ...
Molecular capsulesOrganic molecules in materials science
10.1038/S41467-023-41866-7
ISSN:2041-1723

Stereoselective access to [5.5.0] and [4.4.1] bicyclic compounds through Pd-catalysed divergent higher-order cycloadditions

Li-Cheng Yang•Ya-Nong Wang•Ruoyang Liu•Yixin Luo•Xiao Qian Ng等 10 人
Nature Chemistry
2020
•2020/7/27
•Vol.12 No.9 p.860-868
Medium-sized rings, including those embedded in bridged and fused bicyclic scaffolds, are common core structures of myriad bioactive molecules. Among various synthetic strategies towards their synthesis, intermolecular higher-order cycloaddition provides great potential to build complex medium-sized...
Asymmetric catalysisAsymmetric synthesisSynthetic chemistry methodologyStereochemistry
10.1038/S41557-020-0503-7
ISSN:1755-4330

Catalytic synthesis of chiral sulfinimidate esters via oxidative esterification of sulfenamides

Hua-Jie Jiang•Xue-Qin Tu•Xin-Yi Kong•Ju-Yan Wang•Yu-Yang Liu等 9 人
Nature Communications
2025
•2025/7/30
•Vol.16 No.1 p.1-8
Aza-sulfur compounds, such as sulfilimines, sulfoximines, etc, are increasingly recognized as essential contributors to advancements in drug development and asymmetric synthesis. Among them, the catalytic enantioselective synthesis of sulfinimidate esters remains an uncharted and formidable challeng...
Asymmetric catalysisStereochemistry
10.1038/S41467-025-62197-9
ISSN:2041-1723

Room temperature photo-promoted iron-catalysed arene C–H alkenylation without Grignard reagents

Antonis M. Messinis•Tristan von Münchow•Max Surke•Lutz Ackermann
Nature Catalysis
2024
•2024/2/13
•00 p.1-12
Iron is inexpensive, non-toxic and the most abundant transition metal in the Earth’s crust, rendering iron-catalysed C–H activations attractive yet particularly challenging. Despite major advances, iron-catalysed C–H activations have been linked to high reaction temperatures or the use of reactive G...
Catalytic mechanismsHomogeneous catalysisSynthetic chemistry methodologyOrganometallic chemistry
10.1038/S41929-023-01105-0
ISSN:2520-1158

Dynamically assembled photochromic cages operational in water with visible light

Valentin Schäfer•Angelika Seliwjorstow•Olaf Fuhr•Zbigniew L. Pianowski
Nature Communications
2026
•2026/3/15
•Vol.17 No.1 p.24880
Producing chemical nanostructures that can mimic the efficient adaptability of complicated biological systems to environment changes is among the main goals of nanotechnology. Progress in this area requires understanding of the adaptation mechanisms towards external stimuli at the molecular level. D...
Molecular capsulesMolecular self-assemblySelf-assembly
10.1038/S41467-026-70406-2
ISSN:2041-1723

Biorenewable and circular polydiketoenamine plastics

Jeremy Demarteau•Benjamin Cousineau•Zilong Wang•Baishakhi Bose•Seokjung Cheong等 11 人
Nature Sustainability
2023
•2023/7/27
•00 p.1-10
Amid growing concerns over the human health and environmental impacts of plastic waste, the most promising solution would be to build a circular plastics economy where sustainability considerations dictate the full life cycle of plastics use including replacing petrochemicals with biorenewables. Her...
BiomaterialsChemical engineeringEnvironmental impactPolymer synthesis
10.1038/S41893-023-01160-2
ISSN:2398-9629

Selective inhibitors of JAK1 targeting an isoform-restricted allosteric cysteine

Kavanagh Madeline E.•Horning Benjamin D.•Khattri Roli•Roy Nilotpal•Lu Justine P.等 19 人
Nature Chemical Biology
2022
•2022/9/12
•Vol.18 No.12 p.1388-1398
The Janus tyrosine kinase (JAK) family of non-receptor tyrosine kinases includes four isoforms (JAK1, JAK2, JAK3, and TYK2) and is responsible for signal transduction downstream of diverse cytokine receptors. JAK inhibitors have emerged as important therapies for immun(onc)ological disorders, but th...
Cell signallingImmunologyProteomicsSmall molecules
10.1038/S41589-022-01098-0
ISSN:1552-4450

Covalent organic framework atropisomers with multiple gas-triggered structural flexibilities

Kang Chengjun•Zhang Zhaoqiang•Kusaka Shinpei•Negita Kohei•Usadi Adam K.等 12 人
Nature Materials
2023
•2023/4/10
•00 p.1-8
Covalent organic frameworks (COFs) are emerging crystalline porous polymers, showing great potential for applications but lacking gas-triggered flexibility. Atropisomerism was experimentally discovered in 1922 but has rarely been found in crystals with infinite framework structures. Here we report a...
PolymersStructure of solids and liquids
10.1038/S41563-023-01523-2
ISSN:1476-1122

Stoichiometry validation of supramolecular complexes with a hydrocarbon cage host by van ’t Hoff analyses

Toshiya M. Fukunaga•Yuzuka Onaka•Takahide Kato•Koki Ikemoto•Hiroyuki Isobe
Nature Communications
2023
•2023/12/21
•Vol.14 No.1 p.1-8
Defining chemical processes with equations is the first important step in characterizing equilibria for the assembly of supramolecular complexes, and the stoichiometry of the assembled components must be defined to generate the equation. Recently, this subject has attracted renewed interest, and sta...
Organic molecules in materials scienceSelf-assembly
10.1038/S41467-023-43979-5
ISSN:2041-1723

A crystalline radical cation derived from Thiele’s hydrocarbon with redox range beyond 1 V

Loh Ying Kai•Vasko Petra•McManus Caitilín•Heilmann Andreas•Myers William K.等 6 人
Nature Communications
2021
•2021/12/3
•Vol.12 No.1 p.1-7
Thiele’s hydrocarbon occupies a central role as an open-shell platform for new organic materials, however little is known about its redox behaviour. While recent synthetic approaches involving symmetrical carbene substitution of the CPh2 termini yield isolable neutral/dicationic analogues, the inter...
Electronic materialsInorganic chemistry
10.1038/S41467-021-27104-Y
ISSN:2041-1723

Diversity-oriented synthesis of polymer membranes with ion solvation cages

Miranda J. Baran•Mark E. Carrington•Swagat Sahu•Artem Baskin•Junhua Song等 13 人
Nature
2021
•2021/4/7
•Vol.592 No.7853 p.225-231
Microporous polymers feature shape-persistent free volume elements (FVEs), which are permeated by small molecules and ions when used as membranes for chemical separations, water purification, fuel cells and batteries1–3. Identifying FVEs that have analyte specificity remains a challenge, owing to di...
Atomistic modelsBatteriesPolymer synthesisPorous materialsSoft materials
10.1038/S41586-021-03377-7
ISSN:0028-0836

Toward a unified benchmark and framework for deep learning-based prediction of nuclear magnetic resonance chemical shifts

Fanjie Xu•Wentao Guo•Feng Wang•Lin Yao•Hongshuai Wang等 11 人
Nature Computational Science
2025
•2025/3/28
•00 p.1-9
The study of structure–spectrum relationships is essential for spectral interpretation, impacting structural elucidation and material design. Predicting spectra from molecular structures is challenging due to their complex relationships. Here we introduce NMRNet, a deep learning framework using the ...
Atomistic modelsComputational scienceNMR spectroscopyPhysical chemistry
10.1038/S43588-025-00783-Z
ISSN:2662-8457

A metal–organic framework for efficient water-based ultra-low-temperature-driven cooling

Dirk Lenzen•Jingjing Zhao•Sebastian-Johannes Ernst•Mohammad Wahiduzzaman•A. Ken Inge等 13 人
Nature Communications
2019
•2019/7/9
•Vol.10 No.1 p.1-9
Efficient use of energy for cooling applications is a very important and challenging field in science. Ultra-low temperature actuated (Tdriving < 80 °C) adsorption-driven chillers (ADCs) with water as the cooling agent are one environmentally benign option. The nanoscale metal-organic framework [Al(...
EnergyMetal–organic frameworksPorous materials
10.1038/S41467-019-10960-0
ISSN:2041-1723

Tunable exciton binding energy in 2D hybrid layered perovskites through donor–acceptor interactions within the organic layer

James V. Passarelli•Catherine M. Mauck•Samuel W. Winslow•Collin F. Perkinson•Jacob C. Bard等 12 人
Nature Chemistry
2020
•2020/7/6
•Vol.12 No.8 p.672-682
The strength of electrostatic interactions within semiconductors strongly affects their performance in optoelectronic devices. An important target is the tuning of a material’s exciton binding energy—the energy binding an electron–hole pair through the electrostatic Coulomb force—independent of its ...
Electronic materialsEnergyMaterials chemistry
10.1038/S41557-020-0488-2
ISSN:1755-4330

A molecular extraction process for vanadium based on tandem selective complexation and precipitation

Oluwatomiwa A. Osin•Shuo Lin•Benjamin S. Gelfand•Stephanie Ling Jie Lee•Sijie Lin等 6 人
Nature Communications
2024
•2024/3/23
•Vol.15 No.1 p.1-10
Recycling vanadium from alternative sources is essential due to its expanding demand, depletion in natural sources, and environmental issues with terrestrial mining. Here, we present a complexation-precipitation method to selectively recover pentavalent vanadium ions, V(V), from complex metal ion mi...
Chemical bondingPollution remediation
10.1038/S41467-024-46958-6
ISSN:2041-1723

An unusual chiral-at-metal mechanism for BINOL-metal asymmetric catalysis

Zhenxing Li•Pengfei Chen•Zhigang Ni•Liuzhou Gao•Yue Zhao等 9 人
Nature Communications
2025
•2025/1/16
•Vol.16 No.1 p.1-12
Chiral binaphthols (BINOL)-metal combinations serve as powerful catalysts in asymmetric synthesis. Their chiral induction mode, however, typically relies on multifarious non-covalent interactions between the substrate and the BINOL ligand. In this work, we demonstrate that the chiral-at-metal stereo...
Asymmetric catalysisLigandsReaction mechanisms
10.1038/S41467-025-56000-Y
ISSN:2041-1723

Metal-free photoredox-catalysed formal C–H/C–H coupling of arenes enabled by interrupted Pummerer activation

Miles H. Aukland•Mindaugas Šiaučiulis•Adam West•Gregory J. P. Perry•David J. Procter
Nature Catalysis
2020
•2020/1/20
•Vol.3 No.2 p.163-169
Aryl–aryl cross-coupling constitutes one of the most widely used procedures for the synthesis of high-value materials that range from pharmaceuticals to organic electronics and conducting polymers. The assembly of (hetero)biaryl scaffolds generally requires multiple steps; coupling partners must be ...
Homogeneous catalysisSynthetic chemistry methodologyOrganocatalysisPhotocatalysis
10.1038/S41929-019-0415-3
ISSN:2520-1158

Development of highly efficient platinum catalysts for hydroalkoxylation and hydroamination of unactivated alkenes

Yali Zhou•Xingjun Xu•Hongwei Sun•Guanyu Tao•Xiao-Yong Chang等 8 人
Nature Communications
2021
•2021/3/29
•Vol.12 No.1 p.1-11
Hydrofunctionalization, the direct addition of an X–H (e.g., X=O, N) bond across an alkene, is a desirable strategy to make heterocycles that are important structural components of naturally occurring molecules. Described here is the design and discovery of “donor–acceptor”-type platinum catalysts t...
CatalysisCatalyst synthesisSynthetic chemistry methodology
10.1038/S41467-021-22287-W
ISSN:2041-1723

Selective methane oxidation by molecular iron catalysts in aqueous medium

Fujisaki Hiroto•Ishizuka Tomoya•Kotani Hiroaki•Shiota Yoshihito•Yoshizawa Kazunari等 6 人
Nature
2023
•2023/4/5
•00 p.1-6
Using natural gas as chemical feedstock requires efficient oxidation of the constituent alkanes—and primarily methane1,2. The current industrial process uses steam reforming at high temperatures and pressures3,4 to generate a gas mixture that is then further converted into products such as methanol....
Homogeneous catalysisLigands
10.1038/S41586-023-05821-2
ISSN:0028-0836

Visible-light photoredox-catalyzed C–O bond cleavage of diaryl ethers by acridinium photocatalysts at room temperature

Fang-Fang Tan•Xiao-Ya He•Wan-Fa Tian•Yang Li
Nature Communications
2020
•2020/11/30
•Vol.11 No.1 p.1-11
Cleavage of C–O bonds in lignin can afford the renewable aryl sources for fine chemicals. However, the high bond energies of these C–O bonds, especially the 4-O-5-type diaryl ether C–O bonds (~314 kJ/mol) make the cleavage very challenging. Here, we report visible-light photoredox-catalyzed C–O bond...
Synthetic chemistry methodologyPhotocatalysisSustainability
10.1038/S41467-020-19944-X
ISSN:2041-1723

Normal & reversed spin mobility in a diradical by electron-vibration coupling

Shen Yi•Xue Guodong•Dai Yasi•Quintero Sergio Moles•Chen Hanjiao等 10 人
Nature Communications
2021
•2021/10/29
•Vol.12 No.1 p.1-8
π−conjugated radicals have great promise for use in organic spintronics, however, the mechanisms of spin relaxation and mobility related to radical structural flexibility remain unexplored. Here, we describe a dumbbell shape azobenzene diradical and correlate its solid-state flexibility with spin re...
Chemical physicsElectronic devices
10.1038/S41467-021-26368-8
ISSN:2041-1723

Trefoil polymers from a knotted synthon

Chenchen Du•Zhi Chen•Changqing Xu•Zhanhu Sun•Zhi-Hui Zhang等 19 人
Nature Chemistry
2026
•2026/6/29
•00 p.1-9
Precise control over the presence and position of knots in polymers remains a long-standing synthetic challenge, with theory indicating broad implications for properties and function. Here we report on a topological synthon approach—extension and macrocyclization of an overhand knot—that enables the...
Interlocked moleculesPolymer synthesis
10.1038/S41557-026-02197-4
ISSN:1755-4330

Metal-free oxidative cross-coupling enabled practical synthesis of atropisomeric QUINOL and its derivatives

Peng-Ying Jiang•Kai-Fang Fan•Shaoyu Li•Shao-Hua Xiang•Bin Tan
Nature Communications
2021
•2021/4/22
•Vol.12 No.1 p.1-9
As an important platform molecule, atropisomeric QUINOL plays a crucial role in the development of chiral ligands and catalysts in asymmetric catalysis. However, efficient approaches towards QUINOL remain scarce, and the resulting high production costs greatly impede the related academic research as...
Synthetic chemistry methodologyOrganocatalysis
10.1038/S41467-021-22621-2
ISSN:2041-1723

[2,3]-Sigmatropic rearrangement with [1.1.1]propellane

Suparnak Midya•Aksar Ali•Durga Prasad Hari
Nature Communications
2025
•2025/7/7
•Vol.16 No.1 p.1-11
The most established reactivity of [1.1.1]propellane involves addition reactions at the bridge C-C bond, resulting in the formation of bicyclo[1.1.1]pentane derivatives. Herein, we present a [2,3]-sigmatropic rearrangement that uses [1.1.1]propellane as a carbene precursor to rapidly access allenyla...
Homogeneous catalysisSynthetic chemistry methodology
10.1038/S41467-025-60805-2
ISSN:2041-1723

High areal capacity, long cycle life 4 V ceramic all-solid-state Li-ion batteries enabled by chloride solid electrolytes

Zhou Laidong•Zuo Tong-Tong•Kwok Chun Yuen•Kim Se Young•Assoud Abdeljalil等 8 人
Nature Energy
2022
•2022/1/3
•00 p.1-11
All-solid-state Li batteries (ASSBs) employing inorganic solid electrolytes offer improved safety and are exciting candidates for next-generation energy storage. Herein, we report a family of lithium mixed-metal chlorospinels, Li2InxSc0.666−xCl4 (0 ≤ x ≤ 0.666), with high ionic conductivity (up to 2...
BatteriesElectronic properties and materials
10.1038/S41560-021-00952-0
ISSN:2058-7546

An electric molecular motor

Zhang Long•Qiu Yunyan•Liu Wei-Guang•Chen Hongliang•Shen Dengke等 21 人
Nature
2023
•2023/1/11
•Vol.613 No.7943 p.280-286
Macroscopic electric motors continue to have a large impact on almost every aspect of modern society. Consequently, the effort towards developing molecular motors1–3 that can be driven by electricity could not be more timely. Here we describe an electric molecular motor based on a [3]catenane4,5, in...
Biological physicsInterlocked moleculesMolecular machines and motorsQuantum mechanics
10.1038/S41586-022-05421-6
ISSN:0028-0836

3D-3D topotactic transformation in aluminophosphate molecular sieves and its implication in new zeolite structure generation

Zhehao Huang•Seungwan Seo•Jiho Shin•Bin Wang•Robert G. Bell等 7 人
Nature Communications
2020
•2020/7/28
•Vol.11 No.1 p.1-7
Zeolites have unique pore structures of molecular dimensions and tunable compositions, making them ideal for shape selective catalysis and separation. However, targeted synthesis of zeolites with new pore structures and compositions remains a key challenge. Here, we propose an approach based on a un...
Inorganic chemistryMaterials chemistryPhysical chemistry
10.1038/S41467-020-17586-7
ISSN:2041-1723

Copper-catalyzed asymmetric C(sp3)-H cyanoalkylation of glycine derivatives and peptides

Rupeng Qi•Qiao Chen•Liangyu Liu•Zijian Ma•Da Pan等 9 人
Nature Communications
2023
•2023/6/6
•Vol.14 No.1 p.1-9
Alkylnitriles play important roles in many fields because of their unique electronic properties and structural characteristics. Incorporating cyanoalkyl with characteristic spectroscopy and reactivity properties into amino acids and peptides is of special interest for potential imaging and therapeut...
Homogeneous catalysisSynthetic chemistry methodologyStereochemistry
10.1038/S41467-023-38871-1
ISSN:2041-1723

Ferroelectric columnar assemblies from the bowl-to-bowl inversion of aromatic cores

Shunsuke Furukawa•Jianyun Wu•Masaya Koyama•Keisuke Hayashi•Norihisa Hoshino等 10 人
Nature Communications
2021
•2021/2/3
•Vol.12 No.1 p.1-9
Organic ferroelectrics, in which the constituent molecules retain remanent polarization, represent an important topic in condensed-matter science, and their attractive properties, which include lightness, flexibility, and non-toxicity, are of potential use in state-of-the-art ferroelectric devices. ...
Electronic devicesOrganic molecules in materials scienceSelf-assembly
10.1038/S41467-021-21019-4
ISSN:2041-1723

Catalyst as colour indicator for endpoint detection to enable selective alkyne trans -hydrogenation with ethanol

Yulei Wang•Zhidao Huang•Zheng Huang
Nature Catalysis
2019
•2019/6/13
•Vol.2 No.6 p.529-536
The stereoselective semi-hydrogenation of internal alkynes to E-alkenes is an important, but challenging, transformation, partly because of over-reduction to undesired alkanes. A stop criterion that enables determination of the endpoint of the semi-hydrogenation is thus required to eliminate this ov...
Homogeneous catalysisSynthetic chemistry methodology
10.1038/S41929-019-0299-2
ISSN:2520-1158

Fast motion of molecular rotors in metal–organic framework struts at very low temperatures

Jacopo Perego•Silvia Bracco•Mattia Negroni•Charl X. Bezuidenhout•Giacomo Prando等 8 人
Nature Chemistry
2020
•2020/7/6
•Vol.12 No.9 p.845-851
The solid state is typically not well suited to sustaining fast molecular motion, but in recent years a variety of molecular machines, switches and rotors have been successfully engineered within porous crystals and on surfaces. Here we show a fast-rotating molecular rotor within the bicyclopentane–...
Crystal engineeringMaterials chemistryMetal–organic frameworksSupramolecular chemistry
10.1038/S41557-020-0495-3
ISSN:1755-4330

A molecular endless (7 4 ) knot

David A. Leigh•Jonathan J. Danon•Stephen D. P. Fielden•Jean-François Lemonnier•George F. S. Whitehead等 6 人
Nature Chemistry
2020
•2020/12/14
•Vol.13 No.2 p.117-122
Current strategies for the synthesis of molecular knots focus on twisting, folding and/or threading molecular building blocks. Here we report that Zn(ii) or Fe(ii) ions can be used to weave ligand strands to form a woven 3 × 3 molecular grid. We found that the process requires tetrafluoroborate anio...
ChemistryInterlocked moleculesSelf-assemblySupramolecular chemistry
10.1038/S41557-020-00594-X
ISSN:1755-4330

Water-stable porous Al24 Archimedean solids for removal of trace iodine

Liu Ya-Jie•Sun Yi-Fan•Shen Si-Hao•Wang San-Tai•Liu Zhuang-Hua等 8 人
Nature Communications
2022
•2022/11/4
•Vol.13 No.1 p.1-10
In this paper, we report a unique type of core-shell crystalline material that combines an inorganic zeolitic cage structure with a macrocyclic host arrangement and that can remove trace levels of iodine from water effectively. These unique assemblies are made up of an inorganic Archimedean truncate...
Molecular capsulesSolid-state chemistry
10.1038/S41467-022-34296-4
ISSN:2041-1723

Enhancing the stability of cobalt spinel oxide towards sustainable oxygen evolution in acid

Li Ailong•Kong Shuang•Guo Chenxi•Ooka Hideshi•Adachi Kiyohiro等 10 人
Nature Catalysis
2022
•2022/2/14
•00 p.1-10
Active and stable electrocatalysts for the oxygen evolution reaction are required to produce hydrogen from water using renewable electricity. Here we report that incorporating Mn into the spinel lattice of Co3O4 can extend the catalyst lifetime in acid by two orders of magnitude while maintaining th...
ElectrocatalysisEnergy
10.1038/S41929-021-00732-9
ISSN:2520-1158

Chiral self-sorting and guest recognition of porous aromatic cages

Cui Dong-Xu•Geng Yun•Kou Jun-Ning•Shan Guo-Gang•Sun Chun-Yi等 8 人
Nature Communications
2022
•2022/7/11
•Vol.13 No.1 p.1-8
The synthesis of ultra-stable chiral porous organic cages (POCs) and their controllable chiral self-sorting at the molecular and supramolecular level remains challening. Herein, we report the design and synthesis of a serial of axially chiral porous aromatic cages (PAC 1-S and 1-R) with high chemica...
Molecular capsulesSelf-assembly
10.1038/S41467-022-31785-4
ISSN:2041-1723

Hindered dialkyl ether synthesis with electrogenerated carbocations

Jinbao Xiang•Ming Shang•Yu Kawamata•Helena Lundberg•Solomon H. Reisberg等 17 人
Nature
2019
•2019/9/9
•Vol.573 No.7774 p.398-402
Hindered ethers are of high value for various applications; however, they remain an underexplored area of chemical space because they are difficult to synthesize via conventional reactions1,2. Such motifs are highly coveted in medicinal chemistry, because extensive substitution about the ether bond ...
ElectrocatalysisSynthetic chemistry methodologySustainability
10.1038/S41586-019-1539-Y
ISSN:0028-0836

Proline-promoted electrophilic dichloromethylation of α-enaminones via stereochemically gated resolution

Elihay Kuniavsky•Dvora Rachel Levy•Dmitry Tsvelikhovsky
Nature Communications
2026
•2026/4/11
0
The direct incorporation of polyhalomethyl groups into carbonyl frameworks has traditionally relied on radical or carbene intermediates. Here, we report a proline-mediated, closed-shell strategy for electrophilic β-polyhalomethylation of α-enaminones using stable haloforms under mild, metal-free con...
Synthetic chemistry methodologyReaction mechanisms
10.1038/S41467-026-71815-Z
ISSN:2041-1723

Rapid electron transfer via dynamic coordinative interaction boosts quantum efficiency for photocatalytic CO2 reduction

Jia-Wei Wang•Long Jiang•Hai-Hua Huang•Zhiji Han•Gangfeng Ouyang
Nature Communications
2021
•2021/7/13
•Vol.12 No.1 p.1-11
The fulfillment of a high quantum efficiency for photocatalytic CO2 reduction presents a key challenge, which can be overcome by developing strategies for dynamic attachment between photosensitizer and catalyst. In this context, we exploit the use of coordinate bond to connect a pyridine-appended ir...
Coordination chemistryEnergyHomogeneous catalysisPhotocatalysis
10.1038/S41467-021-24647-Y
ISSN:2041-1723

Interaction-selective molecular sieving adsorbent for direct separation of ethylene from senary C2-C4 olefin/paraffin mixture

Yong Peng•Hanting Xiong•Peixin Zhang•Zhiwei Zhao•Xing Liu等 18 人
Nature Communications
2024
•2024/1/20
•Vol.15 No.1 p.1-12
Olefin/paraffin separations are among the most energy-intensive processes in the petrochemical industry, with ethylene being the most widely consumed chemical feedstock. Adsorptive separation utilizing molecular sieving adsorbents can optimize energy efficiency, whereas the size-exclusive mechanism ...
Chemical engineering
10.1038/S41467-024-45004-9
ISSN:2041-1723

A stable zeolite with atomically ordered and interconnected mesopore channel

Peng Lu•Jiaoyan Xu•Yiqing Sun•Rémy Guillet-Nicolas•Tom Willhammar等 18 人
Nature
2024
•2024/12/11
•Vol.636 No.8042 p.368-373
Zeolites are crystalline microporous materials constructed by corner-sharing tetrahedra (SiO4 and AlO4), with many industrial applications as ion exchangers, adsorbents and heterogeneous catalysts1–4. However, the presence of micropores impedes the use of zeolites in areas dealing with bulky substra...
Catalyst synthesisPorous materials
10.1038/S41586-024-08206-1
ISSN:0028-0836

Base-free nickel-catalysed decarbonylative Suzuki–Miyaura coupling of acid fluorides

Christian A. Malapit•James R. Bour•Conor E. Brigham•Melanie S. Sanford
Nature
2018
•2018/10/24
•Vol.563 No.7729 p.100-104
The Suzuki–Miyaura cross-coupling of organoboron nucleophiles with aryl halide electrophiles is one of the most widely used carbon–carbon bond-forming reactions in organic and medicinal chemistry1,2. A key challenge associated with these transformations is that they generally require the addition of...
Catalytic mechanismsCross-coupling reactionsSynthetic chemistry methodology
10.1038/S41586-018-0628-7
ISSN:0028-0836

Natural gas upgrading using a fluorinated MOF with tuned H 2 S and CO 2 adsorption selectivity

Youssef Belmabkhout•Prashant M. Bhatt•Karim Adil•Renjith S. Pillai•Amandine Cadiau等 10 人
Nature Energy
2018
•2018/10/29
•Vol.3 No.12 p.1059-1066
The process used to upgrade natural gas, biogas and refinery-off-gas directly influences the cost of producing the fuel and often requires complex separation strategies and operational systems to remove contaminants such as hydrogen sulfide (H2S) and carbon dioxide (CO2). Here we report a fluorinate...
Metal–organic frameworksNatural gasPorous materials
10.1038/S41560-018-0267-0
ISSN:2058-7546

Programming local confinements in crystalline frameworks through reticular chemistry

Xianhui Tang•Xiaoliang Wang•Zi-Ming Ye•Shengyi Su•Julian S. Magdalenski等 11 人
Nature Materials
2026
•2026/7/3
•00 p.1-11
Controlling local chemical environments within porous crystalline materials is essential for selective adsorption and catalysis, yet remains difficult in stable frameworks with precisely oriented functional sites. Here we use reticular chemistry to programme tunable confinement in triazolate metal–o...
Crystal engineeringMetal–organic frameworks
10.1038/S41563-026-02662-Y
ISSN:1476-1122

Living supramolecular polymerization of fluorinated cyclohexanes

Oleksandr Shyshov•Shyamkumar Vadakket Haridas•Luca Pesce•Haoyuan Qi•Andrea Gardin等 9 人
Nature Communications
2021
•2021/5/25
•Vol.12 No.1 p.1-11
The development of powerful methods for living covalent polymerization has been a key driver of progress in organic materials science. While there have been remarkable reports on living supramolecular polymerization recently, the scope of monomers is still narrow and a simple solution to the problem...
Self-assemblySupramolecular polymers
10.1038/S41467-021-23370-Y
ISSN:2041-1723