Similarity of structure properties of Hg1− x Mnx S and Cd1 − x Mnx S (structure properties of HgMnS and CdMnS)

Rodić, D.; Spasojević, Vojislav; Bajorek, A.; Önnerud, P.

doi:10.1016/0304-8853(95)00435-1

Cited by 71 publications

(49 citation statements)

References 9 publications

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“… and references therein) that best matched peak B was obtained with nanoparticulate metacinnabar (β‐HgS NP ; Figure d). In β‐HgS, Hg II is coordinated to four sulfide atoms at 2.53 Å and surrounded by higher shells of Hg atoms . The β‐HgS NP reference was obtained by aging a Hg‐( l ‐Cys‐OEt) 2 complex .…”

Section: Resultsmentioning

confidence: 62%

“…Cys residues from the metallothionein clusters were modeled with methanethiolate (CH 3 S − ) (Figure S7, Supporting Information). (f–h) Connectivity of the HgS 4 tetrahedra in metacinnabar (β‐HgS) . Dark red, Hg; yellow, S; blue, N; red, O; gray, C.…”

Section: Resultsmentioning

confidence: 99%

“…In b-HgS, Hg II is coordinated to four sulfide atoms at 2.53 and surrounded by higher shellso fH ga toms. [28] The b-HgS NP refer-ence was obtained by aging aH g-(l-Cys-OEt) 2 complex. [24b] The b-HgS NP HR-XANES spectrum is much different from the unagedH g-(l-Cys-OEt) 2 spectrum and cannotb er econstructed with am ixture of Hg-(l-Cys-OEt) 2 and well crystallized b-HgS or any combinationo fo ther references ( Figure S3 a, Supporting Information).…”

Section: Evidence For Hg-hgpairsint He Tetrathiolate Complexmentioning

confidence: 99%

“…(f-h) Connectivityoft he HgS 4 tetrahedra in metacinnabar (b-HgS). [28] Dark red,Hg; yellow,S;blue, N; red, O; gray,C . molecular RSÀSR links within the mussel cytosol.…”

Section: Evidence For Hg-hgpairsint He Tetrathiolate Complexmentioning

confidence: 99%

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Mercury(II) Binding to Metallothionein in Mytilus edulis revealed by High Energy‐Resolution XANES Spectroscopy

Manceau

Bustamante

Haouz

et al. 2018

Chemistry A European J

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Of all divalent metals, mercury (Hg II ) has the highest affinity for metallothioneins. Hg II is considered to be enclosed in the α and β domains as tetrahedral α‐type Hg 4 Cys 11‐12 and β‐type Hg 3 Cys 9 clusters similar to Cd II and Zn II . However, neither the four‐fold coordination of Hg nor the existence of Hg–Hg atomic pairs have ever been demonstrated, and the Hg II partitioning among the two protein domains is unknown. Using high energy‐resolution XANES spectroscopy, MP2 geometry optimization, and biochemical analysis, evidence for the coexistence of two‐coordinate Hg‐thiolate complex and four‐coordinate Hg‐thiolate cluster with a metacinnabar‐type (β‐HgS) structure in the α domain of separate metallothionein molecules from blue mussel under in vivo exposure is provided. The findings suggest that the CXXC claw setting of thiolate donors, which only exists in the α domain, acts as a nucleation center for the polynuclear complex and that the five CXC motifs from this domain serve as the cluster‐forming motifs. Oligomerization is driven by metallophilic Hg⋅⋅⋅Hg interactions. Our results provide clues as to why Hg has higher affinity for the α than the β domain. More generally, this work provides a foundation for understanding how metallothioneins mediate mercury detoxification in the cell under in vivo conditions.

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Section: Resultsmentioning

confidence: 62%

Section: Resultsmentioning

confidence: 99%

Section: Evidence For Hg-hgpairsint He Tetrathiolate Complexmentioning

confidence: 99%

“…(f-h) Connectivityoft he HgS 4 tetrahedra in metacinnabar (b-HgS). [28] Dark red,Hg; yellow,S;blue, N; red, O; gray,C . molecular RSÀSR links within the mussel cytosol.…”

Section: Evidence For Hg-hgpairsint He Tetrathiolate Complexmentioning

confidence: 99%

See 2 more Smart Citations

Mercury(II) Binding to Metallothionein in Mytilus edulis revealed by High Energy‐Resolution XANES Spectroscopy

Manceau

Bustamante

Haouz

et al. 2018

Chemistry A European J

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“…, Co 2? ) offer a variety of cooperative effects via spin-spin exchange interaction [4][5][6][7][8][9]. II-VI wide band gap semiconductors represent a large family of compounds having physical properties that are suitable for developing optoelectronic devices.…”

Section: Introductionmentioning

confidence: 99%

Stability and electronic properties of Cd0.75Mn0.25S and Cd0.75Mn0.25Se in B3 phase

Rani

Kumar

2015

Appl. Phys. A

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We studied the structural, elastic, spin-polarized electronic band structures and magnetic properties of the diluted magnetic semiconductor Cd 1-x Mn x S and Cd 1-x Mn x Se in zinc blende phase (B3) for x = 0.25 using ab initio method. The calculations were performed by using density functional theory as implemented in the Spanish Initiative for Electronic Simulations with Thousands of Atoms code using local density approximation. Calculated electronic band structures and magnetic properties of Cd 1-x Mn x S are discussed in terms of contribution of Mn 3d 5 4s 2 , Cd 4d 10 5s 2 , S 3s 2 3p 4 orbitals. The total magnetic moment is found to be 5.00 l b for Cd 1-x Mn x S and Cd 1-x Mn x Se at x = 0.25. This value indicates that Mn atom adds no hole carrier to the perfect CdS crystal. We determine the spin-exchange splitting energies produced by Mn 3d states, s-d exchange constant N 0 a, and p-d exchange constant N 0 b. We found that Mn-doped systems are ferromagnetic. Calculated results are in good agreement with previous studies.

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Finding Natural, Dense, and Stable Frustrated Lewis Pairs on Wurtzite Crystal Surfaces for Small‐Molecule Activation

Yu,

Huang,

Ban

et al. 2024

Angewandte Chemie

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The surface frustrated Lewis pairs (SFLPs) open up new opportunities for substituting noble metals in the activation and conversion of stable molecules. However, the applications of SFLPs on a larger scale are impeded by the complex construction process, low surface density, and sensitivity to the reaction environment. Herein, wurtzite‐structured crystals such as GaN, ZnO, and AlP are found for developing natural, dense, and stable SFLPs. It is revealed that the SFLPs can naturally exist on the (100) and (110) surfaces of wurtzite‐structured crystals. All the surface cations and anions serve as the Lewis acid and Lewis base in SFLPs, respectively, contributing to the surface density of SFLPs as high as 7.26 × 1014 cm‐2. Ab initio molecular dynamics simulations indicate that the SFLPs can keep stable under high temperatures and the reaction atmospheres of CO and H2O. Moreover, outstanding performance for activating the given small molecules is achieved on these natural SFLPs, which originates from the optimal orbital overlap between SFLPs and small molecules. Overall, these findings not only provide a simple method to obtain dense and stable SFLPs but also unfold the nature of SFLPs toward the facile activation of small molecules.

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Similarity of structure properties of Hg1− x Mnx S and Cd1 − x Mnx S (structure properties of HgMnS and CdMnS)

Cited by 71 publications

References 9 publications

Mercury(II) Binding to Metallothionein in Mytilus edulis revealed by High Energy‐Resolution XANES Spectroscopy

Mercury(II) Binding to Metallothionein in Mytilus edulis revealed by High Energy‐Resolution XANES Spectroscopy

Stability and electronic properties of Cd0.75Mn0.25S and Cd0.75Mn0.25Se in B3 phase

Finding Natural, Dense, and Stable Frustrated Lewis Pairs on Wurtzite Crystal Surfaces for Small‐Molecule Activation

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