Articles with "functional modeling" as a keyword



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Functional modeling of the MnCAT active site with a dimanganese(III) complex of an unsymmetrical polydentate N3O3 ligand.

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Published in 2018 at "Journal of inorganic biochemistry"

DOI: 10.1016/j.jinorgbio.2018.04.023

Abstract: A new diMnIII complex, [Mn2L(OAc)2(H2O)](BPh4)·3H2O (1), obtained with the unsymmetrical N3O3-ligand H3L = 1-[N-(2-pyridylmethyl),N-(2-hydroxybenzyl)amino]-3-[N'-(2-hydroxybenzyl),N'-(benzyl)amino]propan-2-ol, has been prepared and characterized. The unsymmetrical hexadentate ligand L3- leads to coordination dissymmetry (dissimilar donor atoms) around each Mn ion (N2O4 and… read more here.

Keywords: n3o3 ligand; modeling mncat; mncat active; active site ... See more keywords
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Cost-effective concept development using functional modeling guidelines

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Published in 2019 at "Robotics and Computer-Integrated Manufacturing"

DOI: 10.1016/j.rcim.2018.01.007

Abstract: Abstract Functional modeling provides a formal approach to early concept development by directly translating customer needs into desired product behavior. By first developing product functionality, the gap between customer needs and product form is lessened.… read more here.

Keywords: product; functional modeling; cost effective; concept development ... See more keywords
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Bioinorganic Chemistry on Electrodes: Methods to Functional Modeling.

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Published in 2022 at "Journal of the American Chemical Society"

DOI: 10.1021/jacs.2c01842

Abstract: One of the major goals of bioinorganic chemistry has been to mimic the function of elegant metalloenzymes. Such functional modeling has been difficult to attain in solution, in particular, for reactions that require multiple protons… read more here.

Keywords: bioinorganic chemistry; chemistry electrodes; chemistry; methods functional ... See more keywords