(a) Number of pesticide−GO contacts and hydrogen bonds in all systems. Only the contacts and hydrogen bonds between key chemical families of each pesticide and GO are computed. The chemical families of each pesticide are shown in red (cyclopropane-carboxylate ester for CFT, organophosphorus for DZ, a group of disaccharides, benzofuran, and spiroketal for IVM) and cyan (lactone) in (b).

Contexts in source publication

Context 1

... further investigate how each pesticide interacts with GO, the number of contacts between GO and main functional groups of each pesticide (cyclopropane-carboxylate ester for CFT, organophosphorus for DZ, lactone, and a group of disaccharides, benzofuran, and spiroketal for IVM) is computed in Figure 3. Compared to the total contacts in Table 1, the number of DZ−GO and IVM−GO contacts (parent group−GO contacts, where parent groups are phosphate ester of DZ and lactone of IVM (red and cyan labels in Figure 3b)) in Figure 3a is smaller, indicating that both do not require their parent groups to interact with GO ( Figure 3). ...

Context 2

... further investigate how each pesticide interacts with GO, the number of contacts between GO and main functional groups of each pesticide (cyclopropane-carboxylate ester for CFT, organophosphorus for DZ, lactone, and a group of disaccharides, benzofuran, and spiroketal for IVM) is computed in Figure 3. Compared to the total contacts in Table 1, the number of DZ−GO and IVM−GO contacts (parent group−GO contacts, where parent groups are phosphate ester of DZ and lactone of IVM (red and cyan labels in Figure 3b)) in Figure 3a is smaller, indicating that both do not require their parent groups to interact with GO ( Figure 3). Rather, both DZ and IVM employ the rest of the structure to adhere to GO (Figure 3). ...

Context 3

... further investigate how each pesticide interacts with GO, the number of contacts between GO and main functional groups of each pesticide (cyclopropane-carboxylate ester for CFT, organophosphorus for DZ, lactone, and a group of disaccharides, benzofuran, and spiroketal for IVM) is computed in Figure 3. Compared to the total contacts in Table 1, the number of DZ−GO and IVM−GO contacts (parent group−GO contacts, where parent groups are phosphate ester of DZ and lactone of IVM (red and cyan labels in Figure 3b)) in Figure 3a is smaller, indicating that both do not require their parent groups to interact with GO ( Figure 3). Rather, both DZ and IVM employ the rest of the structure to adhere to GO (Figure 3). ...

Context 4

... further investigate how each pesticide interacts with GO, the number of contacts between GO and main functional groups of each pesticide (cyclopropane-carboxylate ester for CFT, organophosphorus for DZ, lactone, and a group of disaccharides, benzofuran, and spiroketal for IVM) is computed in Figure 3. Compared to the total contacts in Table 1, the number of DZ−GO and IVM−GO contacts (parent group−GO contacts, where parent groups are phosphate ester of DZ and lactone of IVM (red and cyan labels in Figure 3b)) in Figure 3a is smaller, indicating that both do not require their parent groups to interact with GO ( Figure 3). Rather, both DZ and IVM employ the rest of the structure to adhere to GO (Figure 3). ...

Context 5

... further investigate how each pesticide interacts with GO, the number of contacts between GO and main functional groups of each pesticide (cyclopropane-carboxylate ester for CFT, organophosphorus for DZ, lactone, and a group of disaccharides, benzofuran, and spiroketal for IVM) is computed in Figure 3. Compared to the total contacts in Table 1, the number of DZ−GO and IVM−GO contacts (parent group−GO contacts, where parent groups are phosphate ester of DZ and lactone of IVM (red and cyan labels in Figure 3b)) in Figure 3a is smaller, indicating that both do not require their parent groups to interact with GO ( Figure 3). Rather, both DZ and IVM employ the rest of the structure to adhere to GO (Figure 3). For CFT, its carboxylate ester appears to play a role in the adsorption where 30% of the total CFT−GO contacts are obtained from its functional group (cyclopropane-carboxylate ester; Table 1 and Figure 3a). ...

Context 6

... both DZ and IVM employ the rest of the structure to adhere to GO (Figure 3). For CFT, its carboxylate ester appears to play a role in the adsorption where 30% of the total CFT−GO contacts are obtained from its functional group (cyclopropane-carboxylate ester; Table 1 and Figure 3a). Moreover, the hydrogen bond found in Figure 3a for DZ and CFT demonstrates that the total number of GO−pesticide hydrogen bonds found in Table 1 is rooted from a parent group of DZ and CFT. ...

Context 7

... CFT, its carboxylate ester appears to play a role in the adsorption where 30% of the total CFT−GO contacts are obtained from its functional group (cyclopropane-carboxylate ester; Table 1 and Figure 3a). Moreover, the hydrogen bond found in Figure 3a for DZ and CFT demonstrates that the total number of GO−pesticide hydrogen bonds found in Table 1 is rooted from a parent group of DZ and CFT. Unlike others, IVM seems to employ the side chain moieties to hydrogen bond to GO (Figure 3). ...

Context 8

... the hydrogen bond found in Figure 3a for DZ and CFT demonstrates that the total number of GO−pesticide hydrogen bonds found in Table 1 is rooted from a parent group of DZ and CFT. Unlike others, IVM seems to employ the side chain moieties to hydrogen bond to GO (Figure 3). The results obtained demonstrate that each type of pesticide employs nonidentical mechanisms to interact with GO. ...

Context 9

... hydrophobic interactions were reported to contribute most to GO−pesticide adsorption. 27,33,52−54 The pesticides studied here are consistent with this trend since only one hydrogen bond is captured (Table 1 and Figure 3a) while a large number of contacts are found. This highlights the role of hydrophobic interaction for adhesion. ...

Context 10

... number of contacts between the graphene-like region and pesticides demonstrate that all pesticides prefer the graphene-like zone to the polar region ( Figure S2 and Table S2 in the Supporting Information). For the 1-pesticide system, CFT and DZ are mainly trapped on the GO surface by planar π−π interactions in assistance with one hydrogen bond (Figures 4a and S3 in the Supporting Information). On the other hand, IVM employs only π−alkyl forces and a hydrogen bond for GO binding due to the absence of aromaticity (Figures 4a and S3 in the Supporting Information). ...

Context 11

... the 1-pesticide system, CFT and DZ are mainly trapped on the GO surface by planar π−π interactions in assistance with one hydrogen bond (Figures 4a and S3 in the Supporting Information). On the other hand, IVM employs only π−alkyl forces and a hydrogen bond for GO binding due to the absence of aromaticity (Figures 4a and S3 in the Supporting Information). In the case of a hydrogen bond, the single adsorbate−GO hydrogen bond obtained in CFT and DZ is formed by their parent groups (carboxylate ester for CFT and organophosphate for DZ), while IVM utilizes nonlactone moieties for hydrogen bonding (Figures 3 and 4). ...

Context 12

... the other hand, IVM employs only π−alkyl forces and a hydrogen bond for GO binding due to the absence of aromaticity (Figures 4a and S3 in the Supporting Information). In the case of a hydrogen bond, the single adsorbate−GO hydrogen bond obtained in CFT and DZ is formed by their parent groups (carboxylate ester for CFT and organophosphate for DZ), while IVM utilizes nonlactone moieties for hydrogen bonding (Figures 3 and 4). The larger size also allows IVM to form more interactions, resulting in the best binding energy (Figures 3 and 4). ...

Context 13

... the case of a hydrogen bond, the single adsorbate−GO hydrogen bond obtained in CFT and DZ is formed by their parent groups (carboxylate ester for CFT and organophosphate for DZ), while IVM utilizes nonlactone moieties for hydrogen bonding (Figures 3 and 4). The larger size also allows IVM to form more interactions, resulting in the best binding energy (Figures 3 and 4). ...