Roles of graphitization degree and surface functional groups of N-doped activated biochar for phenol adsorption
The roles of graphitization degree and surface functional groups of N-doped activated biochar are key concerns for phenol removal from wastewater. In this study, N-doped activated biochars with different doping ratios and activation levels were prepared to adsorb phenol. As the doping ratio rises, t...
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Gespeichert in:
| Autor*in: |
Gao, Wenran [verfasserIn] |
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| Format: |
E-Artikel |
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| Sprache: |
Englisch |
| Erschienen: |
2022transfer abstract |
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| Schlagwörter: |
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| Übergeordnetes Werk: |
Enthalten in: Picralima nitida seeds suppress PGE2 production by interfering with multiple signalling pathways in IL-1β-stimulated SK-N-SH neuronal cells - Olajide, Olumayokun A. ELSEVIER, 2014, New York, NY [u.a.] |
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| Übergeordnetes Werk: |
volume:167 ; year:2022 ; pages:0 |
| Links: |
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| DOI / URN: |
10.1016/j.jaap.2022.105700 |
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ELV058979808 |
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| 245 | 1 | 0 | |a Roles of graphitization degree and surface functional groups of N-doped activated biochar for phenol adsorption |
| 264 | 1 | |c 2022transfer abstract | |
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| 520 | |a The roles of graphitization degree and surface functional groups of N-doped activated biochar are key concerns for phenol removal from wastewater. In this study, N-doped activated biochars with different doping ratios and activation levels were prepared to adsorb phenol. As the doping ratio rises, the surface N content and ID/IG value increased, and the surface O content decreased. The adsorption capacities were 126.5–170.7 (high activation level) and 100.6–117.9 mg/g (low activation level), and declined with the increase of doping ratio. The density functional theory calculation results show that the surface functional groups are beneficial to phenol adsorption to different degrees. N-5-pyrrolic (−66.6 KJ/mol) and N-Q (−56.9 and −58.0 KJ/mol) groups play the most important role among N functional groups, followed by N-X (−54.6 and −56.6 KJ/mol) group, while the N-6 (−54.5) and N-5-pyridones (−52.5 KJ/mol) groups play the least important role. The phenol adsorption energies of biochar with –CO, –COOH and –OH are − 262.2, − 57.7 and − 53.2 KJ/mol, respectively. With the degree of graphitization decreases, the adsorption energy first increase then dramatically declines which implies a mildly defect in the graphite structure is beneficial to adsorption, but serious defect is harmful even with the help of functional groups. Therefore, the declined adsorption performance of biochar with higher doping ratio is due to the decrease of surface O content and graphitization degree. This study offers theoretical support for the target regulation of biochar with high adsorption performance for wastewater treatment. | ||
| 520 | |a The roles of graphitization degree and surface functional groups of N-doped activated biochar are key concerns for phenol removal from wastewater. In this study, N-doped activated biochars with different doping ratios and activation levels were prepared to adsorb phenol. As the doping ratio rises, the surface N content and ID/IG value increased, and the surface O content decreased. The adsorption capacities were 126.5–170.7 (high activation level) and 100.6–117.9 mg/g (low activation level), and declined with the increase of doping ratio. The density functional theory calculation results show that the surface functional groups are beneficial to phenol adsorption to different degrees. N-5-pyrrolic (−66.6 KJ/mol) and N-Q (−56.9 and −58.0 KJ/mol) groups play the most important role among N functional groups, followed by N-X (−54.6 and −56.6 KJ/mol) group, while the N-6 (−54.5) and N-5-pyridones (−52.5 KJ/mol) groups play the least important role. The phenol adsorption energies of biochar with –CO, –COOH and –OH are − 262.2, − 57.7 and − 53.2 KJ/mol, respectively. With the degree of graphitization decreases, the adsorption energy first increase then dramatically declines which implies a mildly defect in the graphite structure is beneficial to adsorption, but serious defect is harmful even with the help of functional groups. Therefore, the declined adsorption performance of biochar with higher doping ratio is due to the decrease of surface O content and graphitization degree. This study offers theoretical support for the target regulation of biochar with high adsorption performance for wastewater treatment. | ||
| 650 | 7 | |a Phenol |2 Elsevier | |
| 650 | 7 | |a Graphitization degree |2 Elsevier | |
| 650 | 7 | |a Adsorption |2 Elsevier | |
| 650 | 7 | |a O-/N-containing functional groups |2 Elsevier | |
| 650 | 7 | |a Biochar |2 Elsevier | |
| 700 | 1 | |a Lin, Zixiang |4 oth | |
| 700 | 1 | |a Chen, Haoran |4 oth | |
| 700 | 1 | |a Yan, Shanshan |4 oth | |
| 700 | 1 | |a Zhu, Haonan |4 oth | |
| 700 | 1 | |a Zhang, Hong |4 oth | |
| 700 | 1 | |a Sun, Hongqi |4 oth | |
| 700 | 1 | |a Zhang, Shu |4 oth | |
| 700 | 1 | |a Zhang, Shoujun |4 oth | |
| 700 | 1 | |a Wu, Yinlong |4 oth | |
| 773 | 0 | 8 | |i Enthalten in |n Science Direct |a Olajide, Olumayokun A. ELSEVIER |t Picralima nitida seeds suppress PGE2 production by interfering with multiple signalling pathways in IL-1β-stimulated SK-N-SH neuronal cells |d 2014 |g New York, NY [u.a.] |w (DE-627)ELV017524784 |
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10.1016/j.jaap.2022.105700 doi /cbs_pica/cbs_olc/import_discovery/elsevier/einzuspielen/GBV00000000001972.pica (DE-627)ELV058979808 (ELSEVIER)S0165-2370(22)00270-4 DE-627 ger DE-627 rakwb eng 610 VZ 390 VZ 300 610 VZ 44.06 bkl Gao, Wenran verfasserin aut Roles of graphitization degree and surface functional groups of N-doped activated biochar for phenol adsorption 2022transfer abstract nicht spezifiziert zzz rdacontent nicht spezifiziert z rdamedia nicht spezifiziert zu rdacarrier The roles of graphitization degree and surface functional groups of N-doped activated biochar are key concerns for phenol removal from wastewater. In this study, N-doped activated biochars with different doping ratios and activation levels were prepared to adsorb phenol. As the doping ratio rises, the surface N content and ID/IG value increased, and the surface O content decreased. The adsorption capacities were 126.5–170.7 (high activation level) and 100.6–117.9 mg/g (low activation level), and declined with the increase of doping ratio. The density functional theory calculation results show that the surface functional groups are beneficial to phenol adsorption to different degrees. N-5-pyrrolic (−66.6 KJ/mol) and N-Q (−56.9 and −58.0 KJ/mol) groups play the most important role among N functional groups, followed by N-X (−54.6 and −56.6 KJ/mol) group, while the N-6 (−54.5) and N-5-pyridones (−52.5 KJ/mol) groups play the least important role. The phenol adsorption energies of biochar with –CO, –COOH and –OH are − 262.2, − 57.7 and − 53.2 KJ/mol, respectively. With the degree of graphitization decreases, the adsorption energy first increase then dramatically declines which implies a mildly defect in the graphite structure is beneficial to adsorption, but serious defect is harmful even with the help of functional groups. Therefore, the declined adsorption performance of biochar with higher doping ratio is due to the decrease of surface O content and graphitization degree. This study offers theoretical support for the target regulation of biochar with high adsorption performance for wastewater treatment. The roles of graphitization degree and surface functional groups of N-doped activated biochar are key concerns for phenol removal from wastewater. In this study, N-doped activated biochars with different doping ratios and activation levels were prepared to adsorb phenol. As the doping ratio rises, the surface N content and ID/IG value increased, and the surface O content decreased. The adsorption capacities were 126.5–170.7 (high activation level) and 100.6–117.9 mg/g (low activation level), and declined with the increase of doping ratio. The density functional theory calculation results show that the surface functional groups are beneficial to phenol adsorption to different degrees. N-5-pyrrolic (−66.6 KJ/mol) and N-Q (−56.9 and −58.0 KJ/mol) groups play the most important role among N functional groups, followed by N-X (−54.6 and −56.6 KJ/mol) group, while the N-6 (−54.5) and N-5-pyridones (−52.5 KJ/mol) groups play the least important role. The phenol adsorption energies of biochar with –CO, –COOH and –OH are − 262.2, − 57.7 and − 53.2 KJ/mol, respectively. With the degree of graphitization decreases, the adsorption energy first increase then dramatically declines which implies a mildly defect in the graphite structure is beneficial to adsorption, but serious defect is harmful even with the help of functional groups. Therefore, the declined adsorption performance of biochar with higher doping ratio is due to the decrease of surface O content and graphitization degree. This study offers theoretical support for the target regulation of biochar with high adsorption performance for wastewater treatment. Phenol Elsevier Graphitization degree Elsevier Adsorption Elsevier O-/N-containing functional groups Elsevier Biochar Elsevier Lin, Zixiang oth Chen, Haoran oth Yan, Shanshan oth Zhu, Haonan oth Zhang, Hong oth Sun, Hongqi oth Zhang, Shu oth Zhang, Shoujun oth Wu, Yinlong oth Enthalten in Science Direct Olajide, Olumayokun A. ELSEVIER Picralima nitida seeds suppress PGE2 production by interfering with multiple signalling pathways in IL-1β-stimulated SK-N-SH neuronal cells 2014 New York, NY [u.a.] (DE-627)ELV017524784 volume:167 year:2022 pages:0 https://doi.org/10.1016/j.jaap.2022.105700 Volltext GBV_USEFLAG_U GBV_ELV SYSFLAG_U SSG-OLC-PHA GBV_ILN_70 44.06 Medizinsoziologie VZ AR 167 2022 0 |
| spelling |
10.1016/j.jaap.2022.105700 doi /cbs_pica/cbs_olc/import_discovery/elsevier/einzuspielen/GBV00000000001972.pica (DE-627)ELV058979808 (ELSEVIER)S0165-2370(22)00270-4 DE-627 ger DE-627 rakwb eng 610 VZ 390 VZ 300 610 VZ 44.06 bkl Gao, Wenran verfasserin aut Roles of graphitization degree and surface functional groups of N-doped activated biochar for phenol adsorption 2022transfer abstract nicht spezifiziert zzz rdacontent nicht spezifiziert z rdamedia nicht spezifiziert zu rdacarrier The roles of graphitization degree and surface functional groups of N-doped activated biochar are key concerns for phenol removal from wastewater. In this study, N-doped activated biochars with different doping ratios and activation levels were prepared to adsorb phenol. As the doping ratio rises, the surface N content and ID/IG value increased, and the surface O content decreased. The adsorption capacities were 126.5–170.7 (high activation level) and 100.6–117.9 mg/g (low activation level), and declined with the increase of doping ratio. The density functional theory calculation results show that the surface functional groups are beneficial to phenol adsorption to different degrees. N-5-pyrrolic (−66.6 KJ/mol) and N-Q (−56.9 and −58.0 KJ/mol) groups play the most important role among N functional groups, followed by N-X (−54.6 and −56.6 KJ/mol) group, while the N-6 (−54.5) and N-5-pyridones (−52.5 KJ/mol) groups play the least important role. The phenol adsorption energies of biochar with –CO, –COOH and –OH are − 262.2, − 57.7 and − 53.2 KJ/mol, respectively. With the degree of graphitization decreases, the adsorption energy first increase then dramatically declines which implies a mildly defect in the graphite structure is beneficial to adsorption, but serious defect is harmful even with the help of functional groups. Therefore, the declined adsorption performance of biochar with higher doping ratio is due to the decrease of surface O content and graphitization degree. This study offers theoretical support for the target regulation of biochar with high adsorption performance for wastewater treatment. The roles of graphitization degree and surface functional groups of N-doped activated biochar are key concerns for phenol removal from wastewater. In this study, N-doped activated biochars with different doping ratios and activation levels were prepared to adsorb phenol. As the doping ratio rises, the surface N content and ID/IG value increased, and the surface O content decreased. The adsorption capacities were 126.5–170.7 (high activation level) and 100.6–117.9 mg/g (low activation level), and declined with the increase of doping ratio. The density functional theory calculation results show that the surface functional groups are beneficial to phenol adsorption to different degrees. N-5-pyrrolic (−66.6 KJ/mol) and N-Q (−56.9 and −58.0 KJ/mol) groups play the most important role among N functional groups, followed by N-X (−54.6 and −56.6 KJ/mol) group, while the N-6 (−54.5) and N-5-pyridones (−52.5 KJ/mol) groups play the least important role. The phenol adsorption energies of biochar with –CO, –COOH and –OH are − 262.2, − 57.7 and − 53.2 KJ/mol, respectively. With the degree of graphitization decreases, the adsorption energy first increase then dramatically declines which implies a mildly defect in the graphite structure is beneficial to adsorption, but serious defect is harmful even with the help of functional groups. Therefore, the declined adsorption performance of biochar with higher doping ratio is due to the decrease of surface O content and graphitization degree. This study offers theoretical support for the target regulation of biochar with high adsorption performance for wastewater treatment. Phenol Elsevier Graphitization degree Elsevier Adsorption Elsevier O-/N-containing functional groups Elsevier Biochar Elsevier Lin, Zixiang oth Chen, Haoran oth Yan, Shanshan oth Zhu, Haonan oth Zhang, Hong oth Sun, Hongqi oth Zhang, Shu oth Zhang, Shoujun oth Wu, Yinlong oth Enthalten in Science Direct Olajide, Olumayokun A. ELSEVIER Picralima nitida seeds suppress PGE2 production by interfering with multiple signalling pathways in IL-1β-stimulated SK-N-SH neuronal cells 2014 New York, NY [u.a.] (DE-627)ELV017524784 volume:167 year:2022 pages:0 https://doi.org/10.1016/j.jaap.2022.105700 Volltext GBV_USEFLAG_U GBV_ELV SYSFLAG_U SSG-OLC-PHA GBV_ILN_70 44.06 Medizinsoziologie VZ AR 167 2022 0 |
| allfields_unstemmed |
10.1016/j.jaap.2022.105700 doi /cbs_pica/cbs_olc/import_discovery/elsevier/einzuspielen/GBV00000000001972.pica (DE-627)ELV058979808 (ELSEVIER)S0165-2370(22)00270-4 DE-627 ger DE-627 rakwb eng 610 VZ 390 VZ 300 610 VZ 44.06 bkl Gao, Wenran verfasserin aut Roles of graphitization degree and surface functional groups of N-doped activated biochar for phenol adsorption 2022transfer abstract nicht spezifiziert zzz rdacontent nicht spezifiziert z rdamedia nicht spezifiziert zu rdacarrier The roles of graphitization degree and surface functional groups of N-doped activated biochar are key concerns for phenol removal from wastewater. In this study, N-doped activated biochars with different doping ratios and activation levels were prepared to adsorb phenol. As the doping ratio rises, the surface N content and ID/IG value increased, and the surface O content decreased. The adsorption capacities were 126.5–170.7 (high activation level) and 100.6–117.9 mg/g (low activation level), and declined with the increase of doping ratio. The density functional theory calculation results show that the surface functional groups are beneficial to phenol adsorption to different degrees. N-5-pyrrolic (−66.6 KJ/mol) and N-Q (−56.9 and −58.0 KJ/mol) groups play the most important role among N functional groups, followed by N-X (−54.6 and −56.6 KJ/mol) group, while the N-6 (−54.5) and N-5-pyridones (−52.5 KJ/mol) groups play the least important role. The phenol adsorption energies of biochar with –CO, –COOH and –OH are − 262.2, − 57.7 and − 53.2 KJ/mol, respectively. With the degree of graphitization decreases, the adsorption energy first increase then dramatically declines which implies a mildly defect in the graphite structure is beneficial to adsorption, but serious defect is harmful even with the help of functional groups. Therefore, the declined adsorption performance of biochar with higher doping ratio is due to the decrease of surface O content and graphitization degree. This study offers theoretical support for the target regulation of biochar with high adsorption performance for wastewater treatment. The roles of graphitization degree and surface functional groups of N-doped activated biochar are key concerns for phenol removal from wastewater. In this study, N-doped activated biochars with different doping ratios and activation levels were prepared to adsorb phenol. As the doping ratio rises, the surface N content and ID/IG value increased, and the surface O content decreased. The adsorption capacities were 126.5–170.7 (high activation level) and 100.6–117.9 mg/g (low activation level), and declined with the increase of doping ratio. The density functional theory calculation results show that the surface functional groups are beneficial to phenol adsorption to different degrees. N-5-pyrrolic (−66.6 KJ/mol) and N-Q (−56.9 and −58.0 KJ/mol) groups play the most important role among N functional groups, followed by N-X (−54.6 and −56.6 KJ/mol) group, while the N-6 (−54.5) and N-5-pyridones (−52.5 KJ/mol) groups play the least important role. The phenol adsorption energies of biochar with –CO, –COOH and –OH are − 262.2, − 57.7 and − 53.2 KJ/mol, respectively. With the degree of graphitization decreases, the adsorption energy first increase then dramatically declines which implies a mildly defect in the graphite structure is beneficial to adsorption, but serious defect is harmful even with the help of functional groups. Therefore, the declined adsorption performance of biochar with higher doping ratio is due to the decrease of surface O content and graphitization degree. This study offers theoretical support for the target regulation of biochar with high adsorption performance for wastewater treatment. Phenol Elsevier Graphitization degree Elsevier Adsorption Elsevier O-/N-containing functional groups Elsevier Biochar Elsevier Lin, Zixiang oth Chen, Haoran oth Yan, Shanshan oth Zhu, Haonan oth Zhang, Hong oth Sun, Hongqi oth Zhang, Shu oth Zhang, Shoujun oth Wu, Yinlong oth Enthalten in Science Direct Olajide, Olumayokun A. ELSEVIER Picralima nitida seeds suppress PGE2 production by interfering with multiple signalling pathways in IL-1β-stimulated SK-N-SH neuronal cells 2014 New York, NY [u.a.] (DE-627)ELV017524784 volume:167 year:2022 pages:0 https://doi.org/10.1016/j.jaap.2022.105700 Volltext GBV_USEFLAG_U GBV_ELV SYSFLAG_U SSG-OLC-PHA GBV_ILN_70 44.06 Medizinsoziologie VZ AR 167 2022 0 |
| allfieldsGer |
10.1016/j.jaap.2022.105700 doi /cbs_pica/cbs_olc/import_discovery/elsevier/einzuspielen/GBV00000000001972.pica (DE-627)ELV058979808 (ELSEVIER)S0165-2370(22)00270-4 DE-627 ger DE-627 rakwb eng 610 VZ 390 VZ 300 610 VZ 44.06 bkl Gao, Wenran verfasserin aut Roles of graphitization degree and surface functional groups of N-doped activated biochar for phenol adsorption 2022transfer abstract nicht spezifiziert zzz rdacontent nicht spezifiziert z rdamedia nicht spezifiziert zu rdacarrier The roles of graphitization degree and surface functional groups of N-doped activated biochar are key concerns for phenol removal from wastewater. In this study, N-doped activated biochars with different doping ratios and activation levels were prepared to adsorb phenol. As the doping ratio rises, the surface N content and ID/IG value increased, and the surface O content decreased. The adsorption capacities were 126.5–170.7 (high activation level) and 100.6–117.9 mg/g (low activation level), and declined with the increase of doping ratio. The density functional theory calculation results show that the surface functional groups are beneficial to phenol adsorption to different degrees. N-5-pyrrolic (−66.6 KJ/mol) and N-Q (−56.9 and −58.0 KJ/mol) groups play the most important role among N functional groups, followed by N-X (−54.6 and −56.6 KJ/mol) group, while the N-6 (−54.5) and N-5-pyridones (−52.5 KJ/mol) groups play the least important role. The phenol adsorption energies of biochar with –CO, –COOH and –OH are − 262.2, − 57.7 and − 53.2 KJ/mol, respectively. With the degree of graphitization decreases, the adsorption energy first increase then dramatically declines which implies a mildly defect in the graphite structure is beneficial to adsorption, but serious defect is harmful even with the help of functional groups. Therefore, the declined adsorption performance of biochar with higher doping ratio is due to the decrease of surface O content and graphitization degree. This study offers theoretical support for the target regulation of biochar with high adsorption performance for wastewater treatment. The roles of graphitization degree and surface functional groups of N-doped activated biochar are key concerns for phenol removal from wastewater. In this study, N-doped activated biochars with different doping ratios and activation levels were prepared to adsorb phenol. As the doping ratio rises, the surface N content and ID/IG value increased, and the surface O content decreased. The adsorption capacities were 126.5–170.7 (high activation level) and 100.6–117.9 mg/g (low activation level), and declined with the increase of doping ratio. The density functional theory calculation results show that the surface functional groups are beneficial to phenol adsorption to different degrees. N-5-pyrrolic (−66.6 KJ/mol) and N-Q (−56.9 and −58.0 KJ/mol) groups play the most important role among N functional groups, followed by N-X (−54.6 and −56.6 KJ/mol) group, while the N-6 (−54.5) and N-5-pyridones (−52.5 KJ/mol) groups play the least important role. The phenol adsorption energies of biochar with –CO, –COOH and –OH are − 262.2, − 57.7 and − 53.2 KJ/mol, respectively. With the degree of graphitization decreases, the adsorption energy first increase then dramatically declines which implies a mildly defect in the graphite structure is beneficial to adsorption, but serious defect is harmful even with the help of functional groups. Therefore, the declined adsorption performance of biochar with higher doping ratio is due to the decrease of surface O content and graphitization degree. This study offers theoretical support for the target regulation of biochar with high adsorption performance for wastewater treatment. Phenol Elsevier Graphitization degree Elsevier Adsorption Elsevier O-/N-containing functional groups Elsevier Biochar Elsevier Lin, Zixiang oth Chen, Haoran oth Yan, Shanshan oth Zhu, Haonan oth Zhang, Hong oth Sun, Hongqi oth Zhang, Shu oth Zhang, Shoujun oth Wu, Yinlong oth Enthalten in Science Direct Olajide, Olumayokun A. ELSEVIER Picralima nitida seeds suppress PGE2 production by interfering with multiple signalling pathways in IL-1β-stimulated SK-N-SH neuronal cells 2014 New York, NY [u.a.] (DE-627)ELV017524784 volume:167 year:2022 pages:0 https://doi.org/10.1016/j.jaap.2022.105700 Volltext GBV_USEFLAG_U GBV_ELV SYSFLAG_U SSG-OLC-PHA GBV_ILN_70 44.06 Medizinsoziologie VZ AR 167 2022 0 |
| allfieldsSound |
10.1016/j.jaap.2022.105700 doi /cbs_pica/cbs_olc/import_discovery/elsevier/einzuspielen/GBV00000000001972.pica (DE-627)ELV058979808 (ELSEVIER)S0165-2370(22)00270-4 DE-627 ger DE-627 rakwb eng 610 VZ 390 VZ 300 610 VZ 44.06 bkl Gao, Wenran verfasserin aut Roles of graphitization degree and surface functional groups of N-doped activated biochar for phenol adsorption 2022transfer abstract nicht spezifiziert zzz rdacontent nicht spezifiziert z rdamedia nicht spezifiziert zu rdacarrier The roles of graphitization degree and surface functional groups of N-doped activated biochar are key concerns for phenol removal from wastewater. In this study, N-doped activated biochars with different doping ratios and activation levels were prepared to adsorb phenol. As the doping ratio rises, the surface N content and ID/IG value increased, and the surface O content decreased. The adsorption capacities were 126.5–170.7 (high activation level) and 100.6–117.9 mg/g (low activation level), and declined with the increase of doping ratio. The density functional theory calculation results show that the surface functional groups are beneficial to phenol adsorption to different degrees. N-5-pyrrolic (−66.6 KJ/mol) and N-Q (−56.9 and −58.0 KJ/mol) groups play the most important role among N functional groups, followed by N-X (−54.6 and −56.6 KJ/mol) group, while the N-6 (−54.5) and N-5-pyridones (−52.5 KJ/mol) groups play the least important role. The phenol adsorption energies of biochar with –CO, –COOH and –OH are − 262.2, − 57.7 and − 53.2 KJ/mol, respectively. With the degree of graphitization decreases, the adsorption energy first increase then dramatically declines which implies a mildly defect in the graphite structure is beneficial to adsorption, but serious defect is harmful even with the help of functional groups. Therefore, the declined adsorption performance of biochar with higher doping ratio is due to the decrease of surface O content and graphitization degree. This study offers theoretical support for the target regulation of biochar with high adsorption performance for wastewater treatment. The roles of graphitization degree and surface functional groups of N-doped activated biochar are key concerns for phenol removal from wastewater. In this study, N-doped activated biochars with different doping ratios and activation levels were prepared to adsorb phenol. As the doping ratio rises, the surface N content and ID/IG value increased, and the surface O content decreased. The adsorption capacities were 126.5–170.7 (high activation level) and 100.6–117.9 mg/g (low activation level), and declined with the increase of doping ratio. The density functional theory calculation results show that the surface functional groups are beneficial to phenol adsorption to different degrees. N-5-pyrrolic (−66.6 KJ/mol) and N-Q (−56.9 and −58.0 KJ/mol) groups play the most important role among N functional groups, followed by N-X (−54.6 and −56.6 KJ/mol) group, while the N-6 (−54.5) and N-5-pyridones (−52.5 KJ/mol) groups play the least important role. The phenol adsorption energies of biochar with –CO, –COOH and –OH are − 262.2, − 57.7 and − 53.2 KJ/mol, respectively. With the degree of graphitization decreases, the adsorption energy first increase then dramatically declines which implies a mildly defect in the graphite structure is beneficial to adsorption, but serious defect is harmful even with the help of functional groups. Therefore, the declined adsorption performance of biochar with higher doping ratio is due to the decrease of surface O content and graphitization degree. This study offers theoretical support for the target regulation of biochar with high adsorption performance for wastewater treatment. Phenol Elsevier Graphitization degree Elsevier Adsorption Elsevier O-/N-containing functional groups Elsevier Biochar Elsevier Lin, Zixiang oth Chen, Haoran oth Yan, Shanshan oth Zhu, Haonan oth Zhang, Hong oth Sun, Hongqi oth Zhang, Shu oth Zhang, Shoujun oth Wu, Yinlong oth Enthalten in Science Direct Olajide, Olumayokun A. ELSEVIER Picralima nitida seeds suppress PGE2 production by interfering with multiple signalling pathways in IL-1β-stimulated SK-N-SH neuronal cells 2014 New York, NY [u.a.] (DE-627)ELV017524784 volume:167 year:2022 pages:0 https://doi.org/10.1016/j.jaap.2022.105700 Volltext GBV_USEFLAG_U GBV_ELV SYSFLAG_U SSG-OLC-PHA GBV_ILN_70 44.06 Medizinsoziologie VZ AR 167 2022 0 |
| language |
English |
| source |
Enthalten in Picralima nitida seeds suppress PGE2 production by interfering with multiple signalling pathways in IL-1β-stimulated SK-N-SH neuronal cells New York, NY [u.a.] volume:167 year:2022 pages:0 |
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Picralima nitida seeds suppress PGE2 production by interfering with multiple signalling pathways in IL-1β-stimulated SK-N-SH neuronal cells |
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Roles of graphitization degree and surface functional groups of N-doped activated biochar for phenol adsorption |
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The roles of graphitization degree and surface functional groups of N-doped activated biochar are key concerns for phenol removal from wastewater. In this study, N-doped activated biochars with different doping ratios and activation levels were prepared to adsorb phenol. As the doping ratio rises, the surface N content and ID/IG value increased, and the surface O content decreased. The adsorption capacities were 126.5–170.7 (high activation level) and 100.6–117.9 mg/g (low activation level), and declined with the increase of doping ratio. The density functional theory calculation results show that the surface functional groups are beneficial to phenol adsorption to different degrees. N-5-pyrrolic (−66.6 KJ/mol) and N-Q (−56.9 and −58.0 KJ/mol) groups play the most important role among N functional groups, followed by N-X (−54.6 and −56.6 KJ/mol) group, while the N-6 (−54.5) and N-5-pyridones (−52.5 KJ/mol) groups play the least important role. The phenol adsorption energies of biochar with –CO, –COOH and –OH are − 262.2, − 57.7 and − 53.2 KJ/mol, respectively. With the degree of graphitization decreases, the adsorption energy first increase then dramatically declines which implies a mildly defect in the graphite structure is beneficial to adsorption, but serious defect is harmful even with the help of functional groups. Therefore, the declined adsorption performance of biochar with higher doping ratio is due to the decrease of surface O content and graphitization degree. This study offers theoretical support for the target regulation of biochar with high adsorption performance for wastewater treatment. |
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The roles of graphitization degree and surface functional groups of N-doped activated biochar are key concerns for phenol removal from wastewater. In this study, N-doped activated biochars with different doping ratios and activation levels were prepared to adsorb phenol. As the doping ratio rises, the surface N content and ID/IG value increased, and the surface O content decreased. The adsorption capacities were 126.5–170.7 (high activation level) and 100.6–117.9 mg/g (low activation level), and declined with the increase of doping ratio. The density functional theory calculation results show that the surface functional groups are beneficial to phenol adsorption to different degrees. N-5-pyrrolic (−66.6 KJ/mol) and N-Q (−56.9 and −58.0 KJ/mol) groups play the most important role among N functional groups, followed by N-X (−54.6 and −56.6 KJ/mol) group, while the N-6 (−54.5) and N-5-pyridones (−52.5 KJ/mol) groups play the least important role. The phenol adsorption energies of biochar with –CO, –COOH and –OH are − 262.2, − 57.7 and − 53.2 KJ/mol, respectively. With the degree of graphitization decreases, the adsorption energy first increase then dramatically declines which implies a mildly defect in the graphite structure is beneficial to adsorption, but serious defect is harmful even with the help of functional groups. Therefore, the declined adsorption performance of biochar with higher doping ratio is due to the decrease of surface O content and graphitization degree. This study offers theoretical support for the target regulation of biochar with high adsorption performance for wastewater treatment. |
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The roles of graphitization degree and surface functional groups of N-doped activated biochar are key concerns for phenol removal from wastewater. In this study, N-doped activated biochars with different doping ratios and activation levels were prepared to adsorb phenol. As the doping ratio rises, the surface N content and ID/IG value increased, and the surface O content decreased. The adsorption capacities were 126.5–170.7 (high activation level) and 100.6–117.9 mg/g (low activation level), and declined with the increase of doping ratio. The density functional theory calculation results show that the surface functional groups are beneficial to phenol adsorption to different degrees. N-5-pyrrolic (−66.6 KJ/mol) and N-Q (−56.9 and −58.0 KJ/mol) groups play the most important role among N functional groups, followed by N-X (−54.6 and −56.6 KJ/mol) group, while the N-6 (−54.5) and N-5-pyridones (−52.5 KJ/mol) groups play the least important role. The phenol adsorption energies of biochar with –CO, –COOH and –OH are − 262.2, − 57.7 and − 53.2 KJ/mol, respectively. With the degree of graphitization decreases, the adsorption energy first increase then dramatically declines which implies a mildly defect in the graphite structure is beneficial to adsorption, but serious defect is harmful even with the help of functional groups. Therefore, the declined adsorption performance of biochar with higher doping ratio is due to the decrease of surface O content and graphitization degree. This study offers theoretical support for the target regulation of biochar with high adsorption performance for wastewater treatment. |
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As the doping ratio rises, the surface N content and ID/IG value increased, and the surface O content decreased. The adsorption capacities were 126.5–170.7 (high activation level) and 100.6–117.9 mg/g (low activation level), and declined with the increase of doping ratio. The density functional theory calculation results show that the surface functional groups are beneficial to phenol adsorption to different degrees. N-5-pyrrolic (−66.6 KJ/mol) and N-Q (−56.9 and −58.0 KJ/mol) groups play the most important role among N functional groups, followed by N-X (−54.6 and −56.6 KJ/mol) group, while the N-6 (−54.5) and N-5-pyridones (−52.5 KJ/mol) groups play the least important role. The phenol adsorption energies of biochar with –CO, –COOH and –OH are − 262.2, − 57.7 and − 53.2 KJ/mol, respectively. With the degree of graphitization decreases, the adsorption energy first increase then dramatically declines which implies a mildly defect in the graphite structure is beneficial to adsorption, but serious defect is harmful even with the help of functional groups. Therefore, the declined adsorption performance of biochar with higher doping ratio is due to the decrease of surface O content and graphitization degree. This study offers theoretical support for the target regulation of biochar with high adsorption performance for wastewater treatment.</subfield></datafield><datafield tag="650" ind1=" " ind2="7"><subfield code="a">Phenol</subfield><subfield code="2">Elsevier</subfield></datafield><datafield tag="650" ind1=" " ind2="7"><subfield code="a">Graphitization degree</subfield><subfield code="2">Elsevier</subfield></datafield><datafield tag="650" ind1=" " ind2="7"><subfield code="a">Adsorption</subfield><subfield code="2">Elsevier</subfield></datafield><datafield tag="650" ind1=" " ind2="7"><subfield code="a">O-/N-containing functional groups</subfield><subfield code="2">Elsevier</subfield></datafield><datafield tag="650" ind1=" " ind2="7"><subfield code="a">Biochar</subfield><subfield code="2">Elsevier</subfield></datafield><datafield tag="700" ind1="1" ind2=" "><subfield code="a">Lin, Zixiang</subfield><subfield code="4">oth</subfield></datafield><datafield tag="700" ind1="1" ind2=" "><subfield code="a">Chen, Haoran</subfield><subfield code="4">oth</subfield></datafield><datafield tag="700" ind1="1" ind2=" "><subfield code="a">Yan, Shanshan</subfield><subfield code="4">oth</subfield></datafield><datafield tag="700" ind1="1" ind2=" "><subfield code="a">Zhu, Haonan</subfield><subfield code="4">oth</subfield></datafield><datafield tag="700" ind1="1" ind2=" "><subfield code="a">Zhang, Hong</subfield><subfield code="4">oth</subfield></datafield><datafield tag="700" ind1="1" ind2=" "><subfield code="a">Sun, Hongqi</subfield><subfield code="4">oth</subfield></datafield><datafield tag="700" ind1="1" ind2=" "><subfield code="a">Zhang, Shu</subfield><subfield code="4">oth</subfield></datafield><datafield tag="700" ind1="1" ind2=" "><subfield code="a">Zhang, Shoujun</subfield><subfield code="4">oth</subfield></datafield><datafield tag="700" ind1="1" ind2=" "><subfield code="a">Wu, Yinlong</subfield><subfield code="4">oth</subfield></datafield><datafield tag="773" ind1="0" ind2="8"><subfield code="i">Enthalten in</subfield><subfield code="n">Science Direct</subfield><subfield code="a">Olajide, Olumayokun A. ELSEVIER</subfield><subfield code="t">Picralima nitida seeds suppress PGE2 production by interfering with multiple signalling pathways in IL-1β-stimulated SK-N-SH neuronal cells</subfield><subfield code="d">2014</subfield><subfield code="g">New York, NY [u.a.]</subfield><subfield code="w">(DE-627)ELV017524784</subfield></datafield><datafield tag="773" ind1="1" ind2="8"><subfield code="g">volume:167</subfield><subfield code="g">year:2022</subfield><subfield code="g">pages:0</subfield></datafield><datafield tag="856" ind1="4" ind2="0"><subfield code="u">https://doi.org/10.1016/j.jaap.2022.105700</subfield><subfield code="3">Volltext</subfield></datafield><datafield tag="912" ind1=" " ind2=" "><subfield code="a">GBV_USEFLAG_U</subfield></datafield><datafield tag="912" ind1=" " ind2=" "><subfield code="a">GBV_ELV</subfield></datafield><datafield tag="912" ind1=" " ind2=" "><subfield code="a">SYSFLAG_U</subfield></datafield><datafield tag="912" ind1=" " ind2=" "><subfield code="a">SSG-OLC-PHA</subfield></datafield><datafield tag="912" ind1=" " ind2=" "><subfield code="a">GBV_ILN_70</subfield></datafield><datafield tag="936" ind1="b" ind2="k"><subfield code="a">44.06</subfield><subfield code="j">Medizinsoziologie</subfield><subfield code="q">VZ</subfield></datafield><datafield tag="951" ind1=" " ind2=" "><subfield code="a">AR</subfield></datafield><datafield tag="952" ind1=" " ind2=" "><subfield code="d">167</subfield><subfield code="j">2022</subfield><subfield code="h">0</subfield></datafield></record></collection>
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