Computational structure determination of novel metal–organic frameworks

2018 ◽  
Vol 54 (77) ◽  
pp. 10812-10815 ◽  
Author(s):  
Mohammad Wahiduzzaman ◽  
Sujing Wang ◽  
Benjamin J. Sikora ◽  
Christian Serre ◽  
Guillaume Maurin

A structure prediction tool has been developed to guide the discovery of MOF materials.

2017 ◽  
Vol 46 (16) ◽  
pp. 4867-4876 ◽  
Author(s):  
S. Øien-Ødegaard ◽  
G. C. Shearer ◽  
D. S. Wragg ◽  
K. P. Lillerud

Proper handling of pore-occupying species and crystal twinning in structure determination of porous metal–organic frameworks by single crystal X-ray diffraction.


2021 ◽  
pp. 1-10
Author(s):  
F. Jahangiri-Dehaghani ◽  
H.R. Zare ◽  
Z. Shekari

A label-free electrochemical aptasensor was constructed for the sensitive and selective determination of AFM1. For preparation of the aptasensor, the AFM1 aptamer was immobilised on the surface of a glassy carbon electrode modified with hemin encapsulated in Fe-based metal-organic frameworks (hemin@Fe-MIL-101). The morphology and the structure of Fe-MIL-101 and hemin@Fe-MIL-101 were evaluated by scanning electron microscopy, Fourier-transform infrared spectroscopy, X-ray powder diffraction and Brunauer-Emmett-Teller-N2 sorption methods. Electrochemical impedance spectroscopy and cyclic voltammetry were performed to monitor the fabrication process of the electrochemical aptasensor. The electrochemical reduction current of hemin encapsulated in Fe-MIL-101 serves as a signal for the quantitative determination of AFM1. Differential pulse voltammetry was done to determine the AFM1 concentration in the linear range of 1.0×10-1-100.0 ng/ml. The detection limit of AFM1 was estimated to be 4.6×10-2 ng/ml. Finally, the fabricated aptasensor was applied to determine AFM1 in raw and boiled milk samples.


The Analyst ◽  
2019 ◽  
Vol 144 (8) ◽  
pp. 2716-2724 ◽  
Author(s):  
Zunfu Hu ◽  
Yongheng Yin ◽  
Qingyun Liu ◽  
Xiuwen Zheng

Surface-modified FePt nanoparticles were loaded into metal–organic frameworks in a facile in situ way and the resulting material (FePt@MOFs NCs) acted as a high efficient colorimetric detection agent for H2O2.


Langmuir ◽  
2020 ◽  
Vol 36 (14) ◽  
pp. 3903-3911
Author(s):  
W. Matthew Jones ◽  
Jesus B. Tapia ◽  
Robert R. Tuttle ◽  
Melissa M. Reynolds

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