As an important class of human proteins, enzymes catalyzed more than 6000 reactions in human body and played very important roles in both exogenous and endogenous metabolism. Thus, it is recognized as key factors affecting human physiological and pathological processes. It is urgently necessary to develop a practical strategy to guide the rational design of isoform specific probes for a target enzyme.
　　Cytochrome P450 1A (CYP1A) is a membrane-bound enzyme, which is widely distributed in the hepatic and extrahepatic tissues. It consists of two major isoforms including CYP1A1 and its homology CYP1A2. Based on the subtle differences in 3D structure and substrate preference between CYP1A1 and CYP1A2, CYP1A1-specific probe “NBCeN” was designed by modifying the metabolic site of known CYP1A substrate. With the aid of both molecular docking-based virtual screening and reaction phenotyping-based experimental screening, the world’s first CYP1A1-specific probe was synthesized.
　　The newly developed fluorescent probe exhibited high selectivity towards CYP1A1 rather than other CYP enzyme, which could be distinguished between CYP1A1 and CYP1A2. Meanwhile, NBCeN could be combined used in both basic researches and clinical applications. For example, it can real-time monitor the enzyme activity of CYP1A1 or CYP1A2 in complex biological systems and rapid screen inhibitors or inducers of CYP1A1 or CYP1A2. It also can be used for imaging of intracellular CYP1A or CYP1A1 in living cells and tissues. Furthermore, the strategies used in this study will be very helpful for the design, screening and optimization of isoform specific probe substrates for other target enzyme.
　　A practical strategy to develop an isoform-specific fluorescent probe for a target enzyme via local modification at the metabolic site (Imaged by DAI Ziru)
　　As early as 2015, Pharmaceutical Resource Discovery Group in Dalian Institute of Chemical Physics has designed another highly selective probe NCMN for human cytochrome P450 1A via modification at a site far way of the metabolic site. (J. Am. Chem. Soc., 2015, 137: 14488–95)
　　The related results have been published in Chemical Science (DOI: 10.1039/C6SC03970G). This work was supported by National Natural Science Foundation of China, National Basic Research Program of China and State Key Laboratory of Fine Chemicals. (Text and Imaged by DAI Ziru)
　　Dr. LU Xinyi
　　Dalian Institute of Chemical Physics, Chinese Academy of Sciences,
　　457 Zhongshan Road, Dalian, 116023, China,
　　Tel: 86-411-84379201,
　　E-mail: luxinyi@dicp.ac.cn 

　　As an important class of human proteins, enzymes catalyzed more than 6000 reactions in human body and played very important roles in both exogenous and endogenous metabolism. Thus, it is recognized as key factors affecting human physiological and pathological processes. It is urgently necessary to develop a practical strategy to guide the rational design of isoform specific probes for a target enzyme.
　　Cytochrome P450 1A (CYP1A) is a membrane-bound enzyme, which is widely distributed in the hepatic and extrahepatic tissues. It consists of two major isoforms including CYP1A1 and its homology CYP1A2. Based on the subtle differences in 3D structure and substrate preference between CYP1A1 and CYP1A2, CYP1A1-specific probe “NBCeN” was designed by modifying the metabolic site of known CYP1A substrate. With the aid of both molecular docking-based virtual screening and reaction phenotyping-based experimental screening, the world’s first CYP1A1-specific probe was synthesized.
　　The newly developed fluorescent probe exhibited high selectivity towards CYP1A1 rather than other CYP enzyme, which could be distinguished between CYP1A1 and CYP1A2. Meanwhile, NBCeN could be combined used in both basic researches and clinical applications. For example, it can real-time monitor the enzyme activity of CYP1A1 or CYP1A2 in complex biological systems and rapid screen inhibitors or inducers of CYP1A1 or CYP1A2. It also can be used for imaging of intracellular CYP1A or CYP1A1 in living cells and tissues. Furthermore, the strategies used in this study will be very helpful for the design, screening and optimization of isoform specific probe substrates for other target enzyme.
　　A practical strategy to develop an isoform-specific fluorescent probe for a target enzyme via local modification at the metabolic site (Imaged by DAI Ziru)
　　As early as 2015, Pharmaceutical Resource Discovery Group in Dalian Institute of Chemical Physics has designed another highly selective probe NCMN for human cytochrome P450 1A via modification at a site far way of the metabolic site. (J. Am. Chem. Soc., 2015, 137: 14488–95)
　　The related results have been published in Chemical Science (DOI: 10.1039/C6SC03970G). This work was supported by National Natural Science Foundation of China, National Basic Research Program of China and State Key Laboratory of Fine Chemicals. (Text and Imaged by DAI Ziru)
　　Dr. LU Xinyi
　　Dalian Institute of Chemical Physics, Chinese Academy of Sciences,
　　457 Zhongshan Road, Dalian, 116023, China,
　　Tel: 86-411-84379201,
　　E-mail: luxinyi@dicp.ac.cn 

　　The "Single-atom Catalysis" concept was firstly raised by Prof. ZHANG Tao and coworkers. Single atoms dispersed on a solid support can act as an efficient heterogeneous catalyst. Single Pt atoms coating on FeOx surface exhibit highly active for CO oxidation and preferential oxidation of CO in H2 (NATURE CHEMISTRY). Since then, the topic of single-atom catalysis has drawn increasing attention and progressed rapidly.
　　Single-atom catalysts have the advantages both of homogeneous catalysts such as “isolated sites” and heterogeneous catalysts such as stability and reusability. Therefore, it is believed that single-atom catalysis could bridge the hetero- and homogeneous catalysis, although it has not been exclusively demonstrated so far.
　　Hydroformylation of olefins is one of the most important homogeneously catalyzed industrial processes for aldehyde synthesis with more than 10 million tons global production annually. Recently, Prof. ZHANG Tao and Dr. QIAO Botao synthesized a novel ZnO nanowire supporting Rh single-atom catalyst. The Rh1/ZnOnw single-atom catalyst can be used for hydroformylation of olefins with remarkable activity under mild reaction conditions. It is comparable to the representative homogeneous Wilkinson's catalyst (Rh(PPh3)3Cl). Since there is no hydrogenation side product of ethylbenzene being detected, Rh1/ZnOnw catalysts exhibit 99% chemoselectivity along with good substrate tolerance and stability.
　　HAADF-STEM and the infrared CO chemisorption identified the presence of isolated Rh atoms on support. In situ XPS and XANES spectra indicated the electronic state of Rh was almost metallic. It is the first successful example that supported heterogeneous catalysts with atomically dispersed metal sites, which can exhibit comparable reactivity with homogenous catalysts. The finding may open a new way for the applications of single-atom catalysis, and pave a new avenue to the heterogenization of homogenous catalysts.
　　Hydroformylation of Olefins by a Rhodium Single-Atom Catalyst with Activity Comparable to RhCl(PPh3)3 (Imaged by LANG Rui and QIAO Botao)
　　This work was published as Hot Paper (Top 10%) in Angew. Chem. Int. Ed. and selected as a back cover story in the latest issue. The research work is financially supported by the National Natural Science Foundation of China, Strategic Priority Research Program of the Chinese Academy of Sciences, National Key Projects for Fundamental Research and Development of China. (Text and Imaged by LANG Rui and QIAO Botao)
　　Dr. LU Xinyi
　　Dalian Institute of Chemical Physics, Chinese Academy of Sciences,
　　457 Zhongshan Road, Dalian, 116023, China,
　　Tel: 86-411-84379201,
　　E-mail: luxinyi@dicp.ac.cn 

　　The "Single-atom Catalysis" concept was firstly raised by Prof. ZHANG Tao and coworkers. Single atoms dispersed on a solid support can act as an efficient heterogeneous catalyst. Single Pt atoms coating on FeOx surface exhibit highly active for CO oxidation and preferential oxidation of CO in H2 (NATURE CHEMISTRY). Since then, the topic of single-atom catalysis has drawn increasing attention and progressed rapidly.
　　Single-atom catalysts have the advantages both of homogeneous catalysts such as “isolated sites” and heterogeneous catalysts such as stability and reusability. Therefore, it is believed that single-atom catalysis could bridge the hetero- and homogeneous catalysis, although it has not been exclusively demonstrated so far.
　　Hydroformylation of olefins is one of the most important homogeneously catalyzed industrial processes for aldehyde synthesis with more than 10 million tons global production annually. Recently, Prof. ZHANG Tao and Dr. QIAO Botao synthesized a novel ZnO nanowire supporting Rh single-atom catalyst. The Rh1/ZnOnw single-atom catalyst can be used for hydroformylation of olefins with remarkable activity under mild reaction conditions. It is comparable to the representative homogeneous Wilkinson's catalyst (Rh(PPh3)3Cl). Since there is no hydrogenation side product of ethylbenzene being detected, Rh1/ZnOnw catalysts exhibit 99% chemoselectivity along with good substrate tolerance and stability.
　　HAADF-STEM and the infrared CO chemisorption identified the presence of isolated Rh atoms on support. In situ XPS and XANES spectra indicated the electronic state of Rh was almost metallic. It is the first successful example that supported heterogeneous catalysts with atomically dispersed metal sites, which can exhibit comparable reactivity with homogenous catalysts. The finding may open a new way for the applications of single-atom catalysis, and pave a new avenue to the heterogenization of homogenous catalysts.
　　Hydroformylation of Olefins by a Rhodium Single-Atom Catalyst with Activity Comparable to RhCl(PPh3)3 (Imaged by LANG Rui and QIAO Botao)
　　This work was published as Hot Paper (Top 10%) in Angew. Chem. Int. Ed. and selected as a back cover story in the latest issue. The research work is financially supported by the National Natural Science Foundation of China, Strategic Priority Research Program of the Chinese Academy of Sciences, National Key Projects for Fundamental Research and Development of China. (Text and Imaged by LANG Rui and QIAO Botao)
　　Dr. LU Xinyi
　　Dalian Institute of Chemical Physics, Chinese Academy of Sciences,
　　457 Zhongshan Road, Dalian, 116023, China,
　　Tel: 86-411-84379201,
　　E-mail: luxinyi@dicp.ac.cn 

　　On December 17th, 2016, the launch of National key R&D project Nano issue "Nano-Catalysis Technologies and Industrial Demonstration of Small Molecule Resources for High-Efficiency Transformation" was held in DICP. Director YAN Jinding (Basic research management center of Ministry of science and technology), Prof. LIU Zhongmin (Academician of CAE), Prof. SHEN Wenjie (DICP), Prof. XIE Zaiku (China Petrochemical Corp.), Prof. LI Jun (Tsinghua University) are members of the expert advisory group. The attendees include more than 30 people as principal investigators or representatives from the project. The expert group heard reports from the project leader Prof. ZHANG Tao and other subject leaders and gave some specific suggestions for the implementation of the program.
　　 
　　An efficient activation of the chemical bonds with oriented recombination of small molecular resources, such as CO, H2, CH4 and CO2, is pivotal in the transitioning of natural gas and coal into value-added products and clean energy. This project aims at precise controlled C-C bond coupling and C-O/C-H bond activation in the typical conversion processes of these resources, through the creation of multifunctional catalysts at nanometer, sub-nanometer and even single-atom scales. On the basis of these research works, we intend to establish the industrial demonstration processes of syngas production with lower H/C ratio from CO2 and natural gas, and the selective conversion of syngas into low carbon olefins, aromatics, etc. over self-promoted OX-ZEO bi-functional catalysts.(Text by FAN Sisi and Imaged by LIU Wansheng)
　　

　　On December 17th, 2016, the launch of National key R&D project Nano issue "Nano-Catalysis Technologies and Industrial Demonstration of Small Molecule Resources for High-Efficiency Transformation" was held in DICP. Director YAN Jinding (Basic research management center of Ministry of science and technology), Prof. LIU Zhongmin (Academician of CAE), Prof. SHEN Wenjie (DICP), Prof. XIE Zaiku (China Petrochemical Corp.), Prof. LI Jun (Tsinghua University) are members of the expert advisory group. The attendees include more than 30 people as principal investigators or representatives from the project. The expert group heard reports from the project leader Prof. ZHANG Tao and other subject leaders and gave some specific suggestions for the implementation of the program.
　　 
　　An efficient activation of the chemical bonds with oriented recombination of small molecular resources, such as CO, H2, CH4 and CO2, is pivotal in the transitioning of natural gas and coal into value-added products and clean energy. This project aims at precise controlled C-C bond coupling and C-O/C-H bond activation in the typical conversion processes of these resources, through the creation of multifunctional catalysts at nanometer, sub-nanometer and even single-atom scales. On the basis of these research works, we intend to establish the industrial demonstration processes of syngas production with lower H/C ratio from CO2 and natural gas, and the selective conversion of syngas into low carbon olefins, aromatics, etc. over self-promoted OX-ZEO bi-functional catalysts.(Text by FAN Sisi and Imaged by LIU Wansheng)