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Abstract

The paper presents the results of theoretical calculations in terms of the G4MP2 composite method for cyprodinil–α-cyclodextrin (C 0@α-CD) and cyprodinil–β-cyclodextrin (C 0@β-CD) systems. Studies also covered analogous systems consisting of the anion (C ) and the cation (C +) of cyprodinil. The geometries of the cyprodinil molecule and ions were optimized on the basis of the DFT theory, using hybrid (B3LYP, PBE0), pure (B97-D) and “meta” (M06-2X) GGA functionals for selected Pople basis sets [6-311++G(d,p), 6-311++G(2d,p), 6-311++G(2d,2p)] and Dunning basis set (aug-cc-pVDZ). The research results suggest that the affinity of “guest” molecules for “hosts” is relatively low. Theoretical studies of the “guest-host” systems allow to predict the properties of the designed preparations.
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Authors and Affiliations

Jakub T. Hołaj-Krzak
1
ORCID: ORCID

  1. Institute of Technology and Life Sciences – National Research Institute, Falenty, 3 Hrabska Avenue, 05-090 Raszyn, Poland
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Abstract

The aim of the study was to recognise the accumulation of organic carbon (SOC) in the soils of Polish grasslands (GL) and to consider the possibility of increasing its sequestration in these soils. The Tiurin method (mineral soils) and the mass loss method (soil of organic origin) were used. It was found that: (i) the average SOC content of mineral soils is 2.44% and of organic soils – 10.42%; (ii) according to the Polish criteria, approximately 84% of GL mineral soils are classified as classes with high and very high SOC content, and over 15% and 1% – in classes with medium and low SOC content, respectively; more than 99% of organic soils belong to two classes with the highest SOC content and less than 1% to the class with an average content; (iii) according to the European Soil Bureau, the share of GL mineral soils with a high SOC content is slightly over 4%, medium – slightly over 47%, and low and very low – around 50%; for organic soils they are 67, 29, and 4%, respectively; (iv) the reserves of organic carbon in the 0–30 cm layer on the entire surface of GL soils amount to 412.7 Tg of SOC. There is considerable scope for increasing the SOC stock in meadow-pasture soils.
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Authors and Affiliations

Stefan Pietrzak
1
ORCID: ORCID
Jakub T. Hołaj-Krzak
1
ORCID: ORCID

  1. Institute of Technology and Life Sciences – National Research Institute, Falenty, 3 Hrabska Avenue, 05-090 Raszyn, Poland

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