Environmental mercury chemistry–in silico
Conspectus Mercury (Hg) is a global environmental contaminant. Major anthropogenic
sources of Hg emission include gold mining and the burning of fossil fuels. Once deposited …
sources of Hg emission include gold mining and the burning of fossil fuels. Once deposited …
Fluorescence enhancement/quenching based on metal orbital control: computational studies of a 6-thienyllumazine-based mercury sensor
To understand the sensing behaviors of molecular fluorescent probes, lumazine (Lm) and 6-
thienyllumazine (TLm) and their complexation with metal (II) ions ([(L) n M (H2O) m] 2+, M …
thienyllumazine (TLm) and their complexation with metal (II) ions ([(L) n M (H2O) m] 2+, M …
Effect of methylmercury binding on the peroxide-reducing potential of cysteine and selenocysteine
Methylmercury (CH3Hg+) binding to catalytically fundamental cysteine and selenocysteine
of peroxide-reducing enzymes has long been postulated as the origin of its toxicological …
of peroxide-reducing enzymes has long been postulated as the origin of its toxicological …
Construction of a Thermally Stable Low-HgCl2 Catalyst via Chalcogen Bonding and Its Enhanced Activity in Acetylene Hydrochlorination
The polyvinylchloride industry is an important mercury emission source derived from the
decomposition of commercial activated carbon-supported mercuric chloride (HgCl2/AC, with …
decomposition of commercial activated carbon-supported mercuric chloride (HgCl2/AC, with …
Chalcogen–mercury bond formation and disruption in model Rabenstein's reactions: A computational analysis
Methylmercury is a highly toxic compound and human exposure is mainly related to
consumption of polluted fish and seafood. The inactivation of thiol‐based enzymes …
consumption of polluted fish and seafood. The inactivation of thiol‐based enzymes …
Binary and Ternary Colloidal Cu‐Sn‐Te Nanocrystals for Thermoelectric Thin Films
Recent advances in copper chalcogenide‐based nanocrystals (NCs), copper sulfide, and
copper selenide derived nanostructures, have drawn considerable attention. However …
copper selenide derived nanostructures, have drawn considerable attention. However …
Removal of mercury from the environment: a quantum-chemical study with the normalized elimination of the small component method
1, 3-Benzenediamidoethanethiolatemercury [BDT-Hg or BD (S)-Hg] and its derivatives are
investigated utilizing the Dirac exact relativistic normalized elimination of the small …
investigated utilizing the Dirac exact relativistic normalized elimination of the small …
Development of diselenide-based fluorogenic system for the selective and sensitive detection of the Hg (II) in aqueous media
Mercury (II) is highly toxic thus the selective and sensitive detection of Hg (II) is important.
This research article deals with the synthesis and characterization of the fluorogenic system …
This research article deals with the synthesis and characterization of the fluorogenic system …
A cycloruthenated complex: Detecting Hg2+ by Hg2+‐promoted coordination switch and Cu2+ by coordination
C Xu, K Du, Y Wu, L Tan, X Li - Applied Organometallic …, 2022 - Wiley Online Library
A new cycloruthenated complex Ru1 with a ditopic thienyl–NHC ligand has been designed
to recognize Hg2+ by a blue shift in absorption and evident solution color change in …
to recognize Hg2+ by a blue shift in absorption and evident solution color change in …
Theoretical Study of the Formation of Mercury (Hg2+) Complexes in Solution Using an Explicit Solvation Shell in Implicit Solvent Calculations
The structures and harmonic vibrational frequencies of water clusters (H2O) n, n= 1–10,
have been computed using the M06-L/, B3LYP/, and CAM-BLYP/cc-pVTZ levels of theories …
have been computed using the M06-L/, B3LYP/, and CAM-BLYP/cc-pVTZ levels of theories …