Understanding the inactivation process of organophosphorus herbicides: A DFT study of glyphosate metallic complexes with Zn²⁺, Ca²⁺, Mg²⁺, Cu²⁺, Co³⁺, Fe³⁺, Cr³⁺, and Al³⁺

Abstract

Glyphosate is the active component of one of the top‐selling herbicides, which is also a potent EPSP synthase inhibitor. The herbicide is absorbed by living tissue and translocated via the phloem, to plant roots and rhizomes. When applied directly into the soil it has low activity, due to the high adsorption by soil constituents. Understanding the specific interactions between metals in the soil and glyphosate is the main step in understanding the low activity of the herbicide when applied directly into the ground and not pulverized. We can observe there is a stability order for both tetrahedral and octahedral complexes between glyphosate and metals: Zn>Cu>Co>Fe>Cr>Al>Ca>Mg. © 2012 Wiley Periodicals, Inc.

Is there a link between autism and glyphosate-formulated herbicides?

“…The pattern of this rise is extremely well matched temporally to the rising use of glyphosate on corn and soy crops, as pointed out in an article by Swanson et al, and illustrated in their figure 23, reproduced here as Figure 1 [1]. The data plotted in this figure are readily available from U.S. government sources on the Web, and the correlation is nearly perfect (0.99) (p<1.1E-6).…”

“…Studies have documented that glyphosate also chelates zinc [16,22,23]. Because zinc is required for the synthesis of thyroid hormones, it is possible that lack of bioavailable zinc is a contributory factor in hypothyroidism [24].…”

“…Due to glyphosate's well-known ability to chelate divalent metal cations [22,23], we hypothesize that glyphosate gains entry within the thyrotrope and chelates ionic manganese, interfering with PP1 dephorphorylation (see Figure 8).…”

Computational Insights into the Role of the Frontiers Orbital in the Chemistry of Tridentate Ligands

“…The un ique imag inary frequency associated with the transition vector (TV) was characterized. This co mputational procedure has been used previously in similar systems with success [36][37][38][39]. For all calculations of the structures of this work were calculated in gas phase and was not considered the effect of the solvent.…”

HLs vs. MCPA: Which is Better for the Uptake of Ca, Mg, and Fe by Hordeum vulgare L.

“…Common pesticides containing active substances (i.e., glifosat 2,4-D or MCPA) tend to create durable complexes with metals in the soil, hence blocking nutrients for plants [6][7][8][9][10][11][12]. Reduced availability of micro-and macroelements for plants causes metabolic dysfunctions as a result of the poor function of proteins in cells, which are responsible for the metabolism of nitrogen, photosynthesis, or respiration [13][14].…”