A New Method for Incorporating Thiolate Donors into a Metal Coordination Sphere. Synthesis and Crystal Structures of the First Nickel Complexes of an N3S Ligand

1999 ◽  
Vol 38 (19) ◽  
pp. 4329-4333 ◽  
Author(s):  
Niranjan Goswami ◽  
David M. Eichhorn
Keyword(s):  
Crystal Structures ◽  
Coordination Sphere ◽  
Nickel Complexes ◽  
New Method ◽  
Metal Coordination

scholarly journals Intermolecular interaction energies in transition metal coordination compounds

CrystEngComm ◽  
2015 ◽  
Vol 17 (48) ◽  
pp. 9300-9310 ◽  
Author(s):  
Andrew G. P. Maloney ◽  
Peter A. Wood ◽  
Simon Parsons
Keyword(s):  
Transition Metal ◽  
Transition Metals ◽  
Crystal Structures ◽  
Intermolecular Interaction ◽  
Coordination Compounds ◽  
Metal Coordination ◽  
Interaction Energies

The PIXEL method has been parameterised and validated for transition metals, extending its applicability from ~40% to ~85% of all published crystal structures.

The synthesis and crystal structures of new trinuclear and hexanuclear nickel complexes with metallodithiolate ligands

2017 ◽  
Vol 656 (1) ◽  
pp. 131-138
Author(s):  
Hui Li ◽  
Chen-Zhong Yao ◽  
Xiao-Chuan Chai ◽  
Gao-Feng Wang ◽  
Jun Li ◽  
...  
Keyword(s):  
Crystal Structures ◽  
Nickel Complexes

scholarly journals Metal Coordination Sphere Deformation Induced Highly Stokes‐Shifted, Ultra Broadband Emission in 2D Hybrid Lead‐Bromide Perovskites and Investigation of Its Origin

2020 ◽  
Vol 59 (27) ◽  
pp. 10791-10796 ◽  
Author(s):  
Benny Febriansyah ◽  
Tetiana Borzda ◽  
Daniele Cortecchia ◽  
Stefanie Neutzner ◽  
Giulia Folpini ◽  
...  
Keyword(s):  
Coordination Sphere ◽  
Metal Coordination ◽  
Broadband Emission ◽  
Lead Bromide

scholarly journals Metal Coordination Sphere Deformation Induced Highly Stokes‐Shifted, Ultra Broadband Emission in 2D Hybrid Lead‐Bromide Perovskites and Investigation of Its Origin

2020 ◽  
Vol 132 (27) ◽  
pp. 10883-10888 ◽  
Author(s):  
Benny Febriansyah ◽  
Tetiana Borzda ◽  
Daniele Cortecchia ◽  
Stefanie Neutzner ◽  
Giulia Folpini ◽  
...  
Keyword(s):  
Coordination Sphere ◽  
Metal Coordination ◽  
Broadband Emission ◽  
Lead Bromide

scholarly journals Computational Prediction of the Epitopes of HA1 Protein of Influenza Viruses to its Neutralizing Antibodies

Antibodies ◽  
2018 ◽  
Vol 8 (1) ◽  
pp. 2
Author(s):  
Xiaoyan Zeng ◽  
Fiona Legge ◽  
Chao Huang ◽  
Xiao Zhang ◽  
Yongjun Jiao ◽  
...  
Keyword(s):  
Influenza Virus ◽  
Crystal Structures ◽  
Receptor Binding ◽  
Neutralizing Antibodies ◽  
Computational Prediction ◽  
Binding Domain ◽  
Influenza Viruses ◽  
New Method ◽  
Receptor Binding Domain ◽  
Antibody Recognition

In this work, we have used a new method to predict the epitopes of HA1 protein of influenza virus to several antibodies HC19, CR9114, BH151 and 4F5. While our results reproduced the binding epitopes of H3N2 or H5N1 for the neutralizing antibodies HC19, CR9114, and BH151 as revealed from the available crystal structures, additional epitopes for these antibodies were also suggested. Moreover, the predicted epitopes of H5N1 HA1 for the newly developed antibody 4F5 are located at the receptor binding domain, while previous study identified a region 76-WLLGNP-81 as the epitope. The possibility of antibody recognition of influenza virus via different mechanism by binding to different epitopes of an antigen is also discussed.

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