Born in 1975, and an awardee of “CAS Hundred Talents Program”. Dr. Cui received his Ph.D. degree in Molecular Biology at Institute of Biophysics CAS in 2004, and worked first as a postdoc and then as an assistant researcher in University of Wisconsin-Madison from 2004 to 2008. Since 2009, Dr. Cui works as the group leader of metabolomics group of Qingdao Institute of Bioenergy and Bioprocess (QIBEBT). Dr. Cui’s research interest is Metabolomics and Structural Genomics. The central theme of his research focus on key features and bottlenecks in the degradation of lignocellulosic materials, such as screening and structure/function analysis of cellulosomal and noncellulosomal enzymes, rational protein engineering and directed evolution of cellulases or designer cellulosomes, and genetic engineering of lignocellulolytic microorganisms.
Publications
1. Sheng Dong, Ya-Jun Liu, Haixia Zhou, Yan Xiao, Jian Xu, Qiu Cui*, Xinquan Wang*, Yingang Feng* (2021) Structural insight into a GH1 β-glucosidase from the oleaginous microalga, Nannochloropsis oceanica. Int. J. Biol. Macromol. 170:196-206.
2. Fei Yan, Ren Wei*, Qiu Cui*, Uwe T. Bornscheuer, Ya-Jun Liu* (2021) Thermophilic whole-cell degradation of polyethylene terephthalate using engineered Clostridium thermocellum. Microbial Biotechnol. In press.
3. Xingzhe Yao†, Chao Chen†, Yefei Wang†, Sheng Dong, Ya-Jun Liu, Yifei Li, Zhenling Cui, Weibin Gong, Sarah Perrett, Lishan Yao, Raphael Lamed, Edward A. Bayer, Qiu Cui, Yingang Feng* (2020) Discovery and mechanism of a pH-dependent dual-binding-site switch in the interaction of a pair of protein modules. Sci. Adv. 6(43):eabd7182.
4. Sen Wang†, Chuanzeng Lan†, Zhuojun Wang, Weijian Wan, Huidan Zhang, Qiu Cui*, Xiaojin Song* (2020) Optimizing eicosapentaenoic acid production by grafting a heterologous polyketide synthase pathway in the Thraustochytrid Aurantiochytrium. J. Agric. Food Chem. 68(40):11253-11260.
5. Fei Xiao, Sheng Dong, Yang Liu, Yingang Feng, Huayue Li, Cai-Hong Yun, Qiu Cui, Wenli Li* (2020) Structural basis of specificity for carboxyl-terminated acyl donors in a bacterial acyltransferase. J. Am. Chem. Soc. 142(37):16031-16038.
6. Sen Wang†, Chuanzeng Lan†, Zhuojun Wang, Weijian Wan, Qiu Cui*, Xiaojin Song* (2020) PUFA-synthase-specific PPTase enhanced the polyunsaturated fatty acid biosynthesis via the polyketide synthase pathway in Aurantiochytrium. Biotechnol. Biofuels. 13:152.
7. Jie Yang, Xiaojin Song, Lina Wang*, Qiu Cui* (2020) Comprehensive analysis of metabolic alterations in Schizochytrium sp. strains with different DHA content. J. Chromatog. B 1160:122193.
8. Xihui Zhang, Guang Yu, Xiaoyan Feng, Zhenqiu Li*, Bin Li*, Qiu Cui (2020) Ammonia-ethanol-water pretreatment of wheat straw for facilitating enzymatic saccharification integrated with the preparation of submicron lignin spheres. BioResources 15(3):5087-5109.
9. Guanglei Liu, Xiaoxue Zhao, Chao Chen, Zhe Chi, Yuedong Zhang, Qiu Cui, Zhenming Chi, Ya-Jun Liu* (2020) Robust production of pigment-free pullulan from lignocellulosic hydrolysate by a new fungus co-utilizing glucose and xylose. Carbohydr. Polym. 241:116400.
10. Guang Yu, Shiyue Liu, Xiaoyan Feng, Yuedong Zhang, Chao Liu, Ya-Jun Liu*, Bin Li*, Qiu Cui, Hui Peng* (2020) Impact of ammonium sulfite-based sequential pretreatment combinations on two distinct saccharifications of wheat straw. RSC Adv. 10:17129.
11. Ya-Jun Liu*, Bin Li, Yingang Feng*, Qiu Cui* (2020) Consolidated bio-saccharification: Leading lignocellulose bioconversion into the real world. Biotechnol. Adv. 40:107535.
12. Huayue Li, Xiao Han, Jun Zhang, Yujing Dong, Shanshan Xu, Yilei Bao, Chao Chen, Yingang Feng, Qiu Cui, Wenli Li* (2019) An effective strategy for identification of highly unstable bacillaenes. J. Nat. Prod. 82(12):3340-3346.
13. Huidan Zhang, Zhuojun Wang, Yingang Feng, Qiu Cui*, Xiaojin Song* (2019) Phytohormones as stimulators to improve arachidonic acid biosynthesis in Mortierella alpine. Enzyme Microbial Technol. 131:109381.
14. Yanchao Wang, Xiaojin Song, Yingang Feng, Qiu Cui* (2019) Changes in peptidomes and Fischer ratios of corn-derived oligopeptides depending on enzyme hydrolysis approaches. Food Chem. 297:124931.
15. Zhen Wei, Chao Chen, Ya-Jun Liu, Sheng Dong, Jie Li, Kuan Qi, Shiyue Liu, Xiaoke Ding, Lizett Ortiz de Ora, Iván Muñoz-Gutiérrez, Yifei Li, Hongwei Yao, Raphael Lamed, Edward A. Bayer, Qiu Cui, Yingang Feng* (2019) Alternative σI/anti-σI factors represent a unique form of bacterial σ/anti-σ complex. Nucleic Acids Res. 47(11):5988-5997.
16. Guzhen Cui†, Zhuojun Wang†, Wei Hong, Ya-Jun Liu, Zhenghong Chen, Qiu Cui*, Xiaojin Song* (2019) Enhancing tricarboxylate transportation-related NADPH generation to improve biodiesel production by Aurantiochytrium. Algal Res. 40:101505.
17. Xingzhe Yao, Ya-Jun Liu, Qiu Cui, Yingang Feng* (2019) Solution structure of a unicellular microalgae-derived translationally controlled tumor protein revealed both conserved features and structural diversity. Arch. Biochem. Biophys. 665(1):23-29.
18. Shiyue Liu†, Ya-Jun Liu†, Yingang Feng, Bin Li and Qiu Cui* (2019) Construction of consolidated bio-saccharification biocatalyst and process optimization for highly efficient lignocellulose solubilization. Biotechnol. Biofuels 12:35.
19. Chao Chen, Hongwu Yang, Jinsong Xuan, Qiu Cui, Yingang Feng* (2019) Resonance assignments of a cellulosomal double-dockerin from Clostridium thermocellum. Biomol. NMR Assign. 13(1):97-101.
20. Shanshan Xu, Dandan Wang, Yuxi Wei, Qiu Cui, Wenli Li* (2018) Marinobacter bohaiensis sp. nov., a moderate halophile isolated from benthic sediment of the Bohai Sea. Int. J. Syst. Evol. Microbiol. 68(11):3534-3539.
21. Ya-Jun Liu, Kuan Qi, Jie Zhang, Chao Chen, Qiu Cui*, Yingang Feng* (2018) Firmicutes-enriched IS1447 represents a group of IS3-family insertion sequences exhibiting unique +1 transcriptional slippage. Biotechnol. Biofuels 11:300. (*通讯作者)
22. Xiaojin Song, Jie Wang, Yanchao Wang, Yingang Feng, Qiu Cui, Yandu Lu* (2018) Artificial creation of Chlorella pyrenoidosa mutants for economic sustainable food production. Bioresour. Technol. 268:340-345.
23. Lizett Ortiz de Ora, Raphael Lamed, Ya-Jun Liu, Jian Xu, Qiu Cui, Yingang Feng, Yuval Shoham, Edward A. Bayer, Iván Muñoz-Gutiérrez* (2018) Regulation of biomass degradation by alternative σ factors in cellulolytic clostridia. Sci. Rep. 8:11036.
24. Sheng Dong, Xi Liu, Gu-Zhen Cui, Qiu Cui*, Xinquan Wang*, Yingang Feng* (2018) Structural insight into the catalytic mechanism of a cis-epoxysuccinate hydrolase producing enantiomerically pure D(-)-tartaric acid. Chem. Commun. 54(61):8482-8485. (*通讯作者)
25. Renmin Li, Yingang Feng, Shiyue Liu, Kuan Qi, Qiu Cui*, Ya-Jun Liu* (2018) Inducing effects of cellulosic hydrolysate components of lignocellulose on cellulosome synthesis in Clostridium thermocellum. Microbial Biotechnol. 11(5):905-916. (*通讯作者)
26. Huidan Zhang, Dong Lu, Xin Li, Yingang Feng, Qiu Cui, Xiaojin Song* (2018) Heavy ion mutagenesis combined with triclosan screening provides a new strategy for improving the arachidonic acid yield in Mortierella alpine. BMC Biotechnol. 18:23.
27. Xiaoyi Li†, Yan Xiao†, Yingang Feng, Bin Li, Wenli Li*, Qiu Cui* (2018) The spatial proximity effect of beta-glucosidase and cellulosomes on cellulose degradation. Enzyme Microbial Technol. 115:52-61. (*通讯作者)
28. Ya‑Jun Liu†*, Shiyue Liu†, Sheng Dong, Renmin Li, Yingang Feng*, and Qiu Cui* (2018) Determination of the native features of the exoglucanase Cel48S from Clostridium thermocellum. Biotechnol. Biofuels 11, 6. (*通讯作者)
29. Huidan Zhang, Yingang Feng, Qiu Cui*, and Xiaojin Song* (2017) Expression of Vitreoscilla hemoglobin enhances production of arachidonic acid and lipids in Mortierella alpine. BMC Biotechnol. 17, 68. (*通讯作者)
30. Lei Du†, Sheng Dong†, Xingwang Zhang, Chengying Jiang, Jingfei Chen, Lishan Yao, Xiao Wang, Xiaobo Wan, Xi Liu, Xinquan Wang, Shaohua Huang, Qiu Cui, Yingang Feng*, Shuang-Jiang Liu*, and Shengying Li* (2017) Selective oxidation of aliphatic C-H bonds in alkylphenols by a chemomimetic biocatalytic system. Proc. Natl. Acad. Sci. USA114(26):E5129-E5137.
31. Zengxin Ma, Miaomiao Tian, Yanzhen Tan, Guzhen Cui, Yingang Feng, Qiu Cui, and Xiaojin Song* (2017) Response mechanism of the docosahexaenoic acid producer Aurantiochytrium under cold stress. Algal Res. 25, 191-199.
32. Jie Zhang, Shiyue Liu, Renmin Li, Wei Hong, Yan Xiao, Yingang Feng, Qiu Cui* and Ya‑Jun Liu* (2017) Efficient whole-cell-catalyzing cellulose saccharification using engineered Clostridium thermocellum. Biotechnol. Biofuels 10, 124. (*通讯作者)
33. Patrick K. Chaffey†, Xiaoyang Guan†, Chao Chen, Yuan Ruan, Xingfeng Wang, Amy H. Tran, Theo N. Koelsch, Qiu Cui, Yingang Feng*, and Zhongping Tan* (2017) Structural insight into the stabilizing effect of O-glycosylation. Biochemistry 56(23), 2897-2906.
34. Xiaojin Song, Zengxin Ma, Yanzhen Tan, Huidan Zhang, Qiu Cui* (2017) Wastewater recycling technology for fermentation in polyunsaturated fatty acid production. Bioresour. Technol. 235,79-86. (*通讯作者)
35. Dandan Wang, Yuxi Wei, Qiu Cui, Wenli Li* (2017) Amylibacter cionae sp. nov., isolated from the sea squirt Ciona savignyi. Int. J. Syst. Evol. Microbiol. 67(9):3462-3466.
36. Yu-rong Cheng, Zhi-jie Sun*, Gu-zhen Cui, Xiaojin Song, Qiu Cui* (2016) A new strategy for strain improvement of Aurantiochytrium sp. based on heavy-ions mutagenesis and synergistic effects of cold stress and inhibitors of enoyl-ACP reductase. Enzyme Microbiol. Technol. 93-94,182-190. (*通讯作者)
37. Gu-Zhen Cui, Zengxin Ma, Ya-Jun Liu, Yingang Feng, Zhijie Sun, Yurong Cheng, Xiaojin Song*, Qiu Cui (2016) Overexpression of glucose-6-phosphate dehydrogenase enhanced the polyunsaturated fatty acid composition of Aurantiochytrium sp. SD116. Algal Res. 19, 138-145.
38. Chen Wang, Jinsong Xuan*, Qiu Cui, Yingang Feng* (2016) Resonance assignments of a VapC family toxin from Clostridium thermocellum. Biomol. NMR Assign.10(2), 367-371.
39. Ya-Jun Liu, Xiaxia Song, Yifei Li, Jinsong Xuan, Qiu Cui, Jinfeng Wang, Yingang Feng* (2016) Low stability of the reduced state of Mycobacterium tuberculosis NrdH redoxin. FEBS Lett. 590(3), 387-395.
40. Chao Chen, Zhenling Cui, Xiangfei Song, Ya-Jun Liu, Qiu Cui*, and Yingang Feng* (2016) Integration of bacterial expansin-like proteins into cellulosome promotes the cellulose degradation. Appl. Microbiol. Biotechnol. 100(5), 2203-2212. (*通讯作者)
41. Chenggang Xu, Ranran Huang, Lin Teng, Xiaoyan Jing, Jianqiang Hu, Guzhen Cui, Yilin Wang, Qiu Cui, Jian Xu* (2015) Cellulosome stoichiometry in Clostridium cellulolyticum is regulated by selective RNA processing and stabilization. Nature Commun. 6:6900.
42. Zengxin Ma, Yanzhen Tan, Guzhen Cui, Yingang Feng, Qiu Cui* and Xiaojin Song* (2015) Transcriptome and gene expression analysis of DHA producer Aurantiochytrium under low temperature conditions. Sci. Rep. 5, 14446. (*通讯作者)
43. Xiaojin Song*, Xiaolong Wang, Yanzhen Tan, Yingang Feng, Wenli Li and Qiu Cui* (2015) High production of squalene using a newly isolated yeast-like strain Pseudozyma sp. SD301. J. Agric. Food Chem. 63(38), 8445-4851. (*通讯作者)
44. Yan Xiao, Jingtao Zhang, Jiatao Cui, Xingzhe Yao, Zhijie Sun, Yingang Feng* and Qiu Cui* (2015) Simultaneous accumulation of neutral lipids and biomass in Nannochloropsis oceanica IMET1 under high light intensity and nitrogen replete conditions. Algal Res. 11, 55-62. (*通讯作者)
45. Jie Zhang, Ya-Jun Liu*, Gu-Zhen Cui and Qiu Cui* (2015) A novel arabinose-inducible genetic operation system developed for Clostridium cellulolyticum. Biotechnol. Biofuels 8, 36. (*通讯作者)
46. Ya-Jun Liu, Jie Zhang, Gu-Zhen Cui and Qiu Cui* (2015) Current progress of targetron technology: Development, improvement and application in metabolic engineering. Biotechnol. J. 10(6), 855-865. (*通讯作者)
47. Xiaoke Ding, Chao Chen, Qiu Cui, Wenli Li* and Yingang Feng* (2015) Resonance assignments of the periplasmic domain of a cellulose-sensing trans-membrane anti-sigma factor from Clostridium thermocellum. Biomol. NMR Assign. In press.
48. Xingzhe Yao, Yan Xiao, Qiu Cui* and Yingang Feng* (2015) 1H, 15N and 13C resonance assignments of translationally-controlled tumor protein from photosynthetic microalga Nannochloropsis oceanica. Biomol. NMR Assign. 9(2), 325-328. (*通讯作者)
49. 兰君,宋晓金,谭延振,徐建春,崔 球,冯银刚* (2015) 利用伯克霍尔德氏菌脂肪酶富集裂壶藻油脂中的DHA。食品科学36(1), 128-134.
50. Chao Chen, Zhenling Cui, Yan Xiao, Qiu Cui, Steven P. Smith, Raphael Lamed, Edward A. Bayer and Yingang Feng* (2014) Revisiting the NMR solution structure of the Cel48S type-I dockerin module from Clostridium thermocellum reveals a cohesin-primed conformation. J. Struct. Biol. 188(2), 188-193.
51. 兰君,谭延振,宋晓金,崔球,冯银刚* (2014) 裂殖壶菌SD116油脂的胞内核磁共振研究。生物物理学报 30(3), 193-206.
52. 朱新术,崔家涛,冯银刚,张景涛*,崔球* (2014) 热纤梭菌中心代谢产物的归属及初步代谢组分析。波谱学杂志 31(2), 243-252. (*通讯作者)
53. Wei Hong, Jie Zhang, Yingang Feng, Georg Mohr, Alan M. Lambowitz, Gu-Zhen Cui, Ya-Jun Liu*, Qiu Cui* (2014) The contribution of cellulosomal scaffoldins to cellulose hydrolysis by Clostridium thermocellum analyzed by using thermotargetrons. Biotechnol. Biofuels 7, 80. (*通讯作者)
54. Yingang Feng*, Xiaxia Song, Jinzhong Lin, Jinsong Xuan, Qiu Cui, Jinfeng Wang (2014) Structure determination of archaea-specific ribosomal protein L46a reveals a novel protein fold. Biochem. Biophys. Res. Commun. 450(1), 67-72.
55. 刘亚君,崔古贞,洪伟,张杰,崔球*(2014) 典型产纤维小体梭菌的遗传改造及其在纤维素乙醇中的应用研究进展。生物加工过程,第12卷第1期,55-62. (*通讯作者)
56. Gu-Zhen Cui, Jie Zhang, Wei Hong, Chenggang Xu, Yingang Feng, Qiu Cui*, Ya-Jun Liu* (2014) Improvement of ClosTron for successive gene disruption in Clostridium cellulolyticum using a pyrF-based screening system. App. Microbiol. Biotechnol. 98(1), 313-323. (*通讯作者)
57. 崔家涛,谭延振,崔球,宋晓金* (2013) 海洋真菌SD116在产物合成中的辅因子谱分析。中国海洋药物,第32卷第6期,27-32.
58. Xiaojin Song*†, Yanzhen Tan†, Yajun Liu, Jingtao Zhang, Guanglei Liu, Yingang Feng, and Qiu Cui* (2013) Different impact of short-chain fatty acids on saturated and polyunsaturated fatty acid biosynthesis in Aurantiochytrium sp. SD116. J. Agric. Food Chem. 61(41), 9876-9881. (*通讯作者)
59. Jiatao Cui, Jingtao Zhang, Xinshu Zhu, Fali Bai, Yingang Feng, Wenna Guan*, and Qiu Cui* (2013) Separation and quantification of water-soluble cellular metabolites in Clostridium thermocellum using liquid chromatography-isotope dilution tandem mass spectrometry. Anal. Lett. 46(17), 2767-2786. (*通讯作者)
60. Xinshu Zhu, Jiatao Cui, Yingang Feng, Yun Fa, Jingtao Zhang*, Qiu Cui* (2013) Metabolic Adaption of Ethanol-Tolerant Clostridium thermocellum. PLoS ONE 8(7), e70631. (*通讯作者)
61. Georg Mohr, Wei Hong, Jie Zhang, Gu-zhen Cui, Yunfeng Yang, Qiu Cui, Ya-jun Liu*, Alan M. Lambowitz* (2013) A targetron system for gene targeting in thermophiles and its Application in Clostridium thermocellum. PLoS ONE 8(7), e69032.
62. Tong Li, Yuanyuan Du, Qiu Cui, Jingtao Zhang, Weiming Zhu, Kui Hong and Wenli Li* (2013) Cloning, characterization and heterologous expression of the indolocarbazole biosynthetic gene cluster from marine-derived Streptomyces sanyensis FMA. Mar. Drugs 11(2), 466-488.
63. Lu Lin, Yuetong Ji, Qichao Tu, Ranran Huang, Lin Teng, Xiaowei Zeng, Houhui Song, Kun Wang, Qian Zhou, Yifei Li, Qiu Cui, Zhili He, Jizhong Zhou and Jian Xu* (2103) Microevolution from shock to adaptation revealed strategies improving ethanol tolerance and production in Thermoanaerobacter. Biotechnol. Biofuels 6,103.
64. Mang Gao, Xiaojin Song*, Yingang Feng, Wenli Li, and Qiu Cui (2013) Isolation and characterization of Aurantiochytrium species: high docosahexaenoic acid (DHA) production by the newly isolated microalga, Aurantiochytrium sp. SD116. J. Oleo Sci. 62(3), 143-151.
65. Yan Xiao, Jingtao Zhang, Jiatao Cui, Yingang Feng, Qiu Cui* (2013) Metabolic profiles of Nannochloropsis oceanica IMET1 under nitrogen-deficiency stress. Bioresour. Technol. 130, 731-738. (*通讯作者)
66. Zhenling Cui, Yifei Li*, Yan Xiao, Yingang Feng, and Qiu Cui* (2013) Resonance assignments of cohesin and dockerin domains from Clostridium acetobutylicum ATCC824. Biomol. NMR Assign. 7(1), 73-76. (*通讯作者)
67. Shan Wang, Gu-Zhen Cui, Xiang-Fei Song, Yingang Feng* and Qiu Cui* (2012) Efficiency and stability enhancement of cis-epoxysuccinic acid hydrolase by fusion with a carbohydrate binding module and immobilization onto cellulose. Appl. Biochem. Biotechnol. 168, 708-717. (*通讯作者)
68. Gu-Zhen Cui, Shan Wang, Yifei Li, Yi-Jun Tian, Yingang Feng, and Qiu Cui* (2012) High yield recombinant expression, characterization and homology modeling of two types of cis-epoxysuccinic acid hydrolases. Protein J. 31(5), 432-438. (*通讯作者)
69. Gu-zhen Cui, Wei Hong, Jie Zhang, Wen-li Li, Yingang Feng, Ya-jun Liu*, and Qiu Cui* (2012) Targeted gene engineering in Clostridium cellulolyticum H10 without methylation. J. Microbiol. Methods 89(3), 201-208. (*通讯作者)
70. Jitian Liu, Yu Tang*, Kaigui Wu, Caifeng Bi*, and Qiu Cui* (2012) Conversion of fructose into 5-hydroxymethylfurfural (HMF) and its derivatives promoted by inorganic salt in alcohol. Carbohydr. Res. 350, 20-24. (*通讯作者)
71. Xianyang Fang†, Qiu Cui†, Yufeng Tong, Yingang Feng, Lu Shan, Li Huang, Jinfeng Wang* (2008) A stabilizing alpha/beta-hydrophobic core greatly contributes to hyperthermostability of archaeal [P62A]Ssh10b. Biochemistry 47(43), 11212-11221. (†共同第一作者)
72. Qiu Cui, Ian A. Lewis, Adrian D. Hegeman, Mark E. Anderson, Jing Li, Christopher F. Schulte, William M. Westler, Hamid R. Eghbalnia, Michael R. Sussman & John L. Markley (2008) Metabolite identification via the Madison Metabolomics Consortium Database. Nature Biotechnol. 2008, 26(2), 162-164.
73. John L. Markley*, Mark E. Anderson, Qiu Cui, Hamid R. Eghbalnia, Ian A. Lewis, Adrian D. Hegeman, Jing Li, Christopher F. Schulte, Michael R. Sussman, William M. Westler, Eldon L. Ulrich, Zsolt Zolnai (2007): New bioinformatics resources for metabolomics. Pac. Symp. Biocomput. 12, 157-168.
74. Adrian D. Hegeman, Christopher F. Schulte, Qiu Cui, Ian A. Lewis, Edward L. Huttlin, Hamid Eghbalnia, Amy C. Harms, Eldon L. Ulrich, John L. Markley, and Michael R. Sussman (2007) Stable Isotope Assisted Assignment of Elemental Compositions for Metabolomics. Anal. Chem. 79(18), 6912-6921.
75. Qiu Cui†, Michael P. Thorgersen†, William M. Westler, John L. Markley, Diana M. Downs* (2006) Solution structure of YggX: a prokaryotic protein involved in Fe(II) trafficking. Proteins 62(3), 578-586. (†共同第一作者)
76. Qiu Cui, Yufeng Tong, Hong Xue, Li Huang, Yingang Feng and Jinfeng Wang* (2003) Two conformations of archaeal Ssh10b: the origin of its temperature dependent interaction with DNA. J. Biol. Chem. 278(51), 51015-51022.
77. Yufeng Tong, Qiu Cui, Yingang Feng, Li Huang and Jinfeng Wang* (2002) Letters to the Editor: 1H, 15N, and 13C resonance assignments and secondary structure of the Ssh10b from hyperthermophilic archaeon Sulfolobus shibatae. J. Biomol. NMR, 22(4), 385-386.