A consistent model for the key complex in chronic beryllium disease

Raphael J.F Berger,Raúl Mera-Adasme,Pär Håkansson

doi:10.1515/znb-2020-0010

Abstract

Abstract A hypothesis on the structure of the key complex in chronic beryllium disease (CBD) is discussed with respect to the current knowledge on CBD, and with respect to the constraints implied by the coordination chemistry of beryllium and experimental data on the engaged protein complexes. The structure hypothesis is based on the [Be4O]6+ moiety as a coordination center, which is also found in the so called “basic beryllium carboxylates”. The structure of a small molecular model, optimized at the DFT level of theory, is used to compare the structural demands of this coordination center with a structure of the in vitro model of a beryllium immunoprotein complex determined previously by protein crystallography (Clayton & al., Cell 2014, 158, 132). 9Be NMR chemical shielding values, quadrupole coupling constants and asymmetry parameters (η) have been calculated.

Highlights

Many beryllium-based compounds and materials exhibit unique properties [1, 2]
A hypothesis on the structure of the key complex in chronic beryllium disease (CBD) is discussed with respect to the current knowledge on CBD, and with respect to the constraints implied by the coordination chemistry of beryllium and experimental data on the engaged protein complexes
Summarizing the current knowledge of the bio-chemical species and mechanisms involved in CBD is beyond the scope of this work, and we instead refer to the literature for this [10]

Summary

Introduction

Many beryllium-based compounds and materials exhibit unique properties [1, 2]. For instance the long soughtfor beryllium analog of MOF-5 [3,4,5] shows a superior hydrogen absorption capacity [6] or a beryllium based rechargable battery is estimated to offer both the highest volume- and gravimetric energy densities known so far [7].Beryllium is not rare and it appears that the only major obstacle for a much more wide-spread use of the element are the severe health adverse effects [8] an incorporation can cause in humans. Many beryllium-based compounds and materials exhibit unique properties [1, 2]. For instance the long soughtfor beryllium analog of MOF-5 [3,4,5] shows a superior hydrogen absorption capacity [6] or a beryllium based rechargable battery is estimated to offer both the highest volume- and gravimetric energy densities known so far [7]. CBD is mainly known as an occupational lung disease, that resembles sarcoidosis and auto-immune disorders in its symptoms [11, 12] and is linked with lung cancer [13]. Summarizing the current knowledge of the bio-chemical species and mechanisms involved in CBD is beyond the scope of this work, and we instead refer to the literature for this [10]

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Methods

Conclusion