Photo-activated CO-release in the amino tungsten Fischer carbene complex, [(CO)5WC(NC4H8)Me], picosecond time resolved infrared spectroscopy, time-dependent density functional theory, and an antimicrobial study
Picosecond time-resolved infrared spectroscopy was used to probe the photo-induced early state dynamics preceding CO loss in the Fischer carbene complex, [(CO)5WC(NC4H8)CH3]. Time-dependent density functional theory calculations were employed to help in understanding the photochemical and photophysi...
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| Veröffentlicht in: | Journal of inorganic biochemistry 2020-07, Vol.208, p.111071-111071, Article 111071 |
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| container_title | Journal of inorganic biochemistry |
| container_volume | 208 |
| creator | McMahon, Suzanne Rajagopal, Ashwene Amirjalayer, Saeed Halpin, Yvonne Fitzgerald-Hughes, Deirdre Buma, Wybren Jan Woutersen, Sander Long, Conor Pryce, Mary T. |
| description | Picosecond time-resolved infrared spectroscopy was used to probe the photo-induced early state dynamics preceding CO loss in the Fischer carbene complex, [(CO)5WC(NC4H8)CH3]. Time-dependent density functional theory calculations were employed to help in understanding the photochemical and photophysical processes leading to CO-loss. Electrochemical initiated CO release was quantified using gas chromatography. The potential of [(CO)5WC(NC4H8)CH3], as an antimicrobial agent under irradiation conditions was studied using a Staphylococcus aureus strain.
•In [(CO)5WC(NC4H8)Me] psTRIR indicates that CO-loss occurs via an excited state, and with a quantum yield of ~70%.•Formation of a cis-CO loss product is supported using TDDFT calculations.•Antibacterial activity at neutral pH is enhanced by irradiation. |
| doi_str_mv | 10.1016/j.jinorgbio.2020.111071 |
| format | Article |
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•In [(CO)5WC(NC4H8)Me] psTRIR indicates that CO-loss occurs via an excited state, and with a quantum yield of ~70%.•Formation of a cis-CO loss product is supported using TDDFT calculations.•Antibacterial activity at neutral pH is enhanced by irradiation.</description><identifier>ISSN: 0162-0134</identifier><identifier>EISSN: 1873-3344</identifier><identifier>DOI: 10.1016/j.jinorgbio.2020.111071</identifier><identifier>PMID: 32434119</identifier><language>eng</language><publisher>United States: Elsevier Inc</publisher><subject>Antimicrobial ; Photochemical CO-loss ; Picosecond time-resolved infrared spectroscopy ; Tungsten based Fischer carbene</subject><ispartof>Journal of inorganic biochemistry, 2020-07, Vol.208, p.111071-111071, Article 111071</ispartof><rights>2020 Elsevier Inc.</rights><rights>Copyright © 2020 Elsevier Inc. All rights reserved.</rights><lds50>peer_reviewed</lds50><oa>free_for_read</oa><woscitedreferencessubscribed>false</woscitedreferencessubscribed><citedby>FETCH-LOGICAL-c420t-70718ab09b001ed841e7776dffd9f59fa55185d3ef9d9f1227334c038d478eda3</citedby><cites>FETCH-LOGICAL-c420t-70718ab09b001ed841e7776dffd9f59fa55185d3ef9d9f1227334c038d478eda3</cites></display><links><openurl>$$Topenurl_article</openurl><openurlfulltext>$$Topenurlfull_article</openurlfulltext><thumbnail>$$Tsyndetics_thumb_exl</thumbnail><linktohtml>$$Uhttps://dx.doi.org/10.1016/j.jinorgbio.2020.111071$$EHTML$$P50$$Gelsevier$$H</linktohtml><link.rule.ids>314,776,780,3536,27903,27904,45974</link.rule.ids><backlink>$$Uhttps://www.ncbi.nlm.nih.gov/pubmed/32434119$$D View this record in MEDLINE/PubMed$$Hfree_for_read</backlink></links><search><creatorcontrib>McMahon, Suzanne</creatorcontrib><creatorcontrib>Rajagopal, Ashwene</creatorcontrib><creatorcontrib>Amirjalayer, Saeed</creatorcontrib><creatorcontrib>Halpin, Yvonne</creatorcontrib><creatorcontrib>Fitzgerald-Hughes, Deirdre</creatorcontrib><creatorcontrib>Buma, Wybren Jan</creatorcontrib><creatorcontrib>Woutersen, Sander</creatorcontrib><creatorcontrib>Long, Conor</creatorcontrib><creatorcontrib>Pryce, Mary T.</creatorcontrib><title>Photo-activated CO-release in the amino tungsten Fischer carbene complex, [(CO)5WC(NC4H8)Me], picosecond time resolved infrared spectroscopy, time-dependent density functional theory, and an antimicrobial study</title><title>Journal of inorganic biochemistry</title><addtitle>J Inorg Biochem</addtitle><description>Picosecond time-resolved infrared spectroscopy was used to probe the photo-induced early state dynamics preceding CO loss in the Fischer carbene complex, [(CO)5WC(NC4H8)CH3]. Time-dependent density functional theory calculations were employed to help in understanding the photochemical and photophysical processes leading to CO-loss. Electrochemical initiated CO release was quantified using gas chromatography. The potential of [(CO)5WC(NC4H8)CH3], as an antimicrobial agent under irradiation conditions was studied using a Staphylococcus aureus strain.
•In [(CO)5WC(NC4H8)Me] psTRIR indicates that CO-loss occurs via an excited state, and with a quantum yield of ~70%.•Formation of a cis-CO loss product is supported using TDDFT calculations.•Antibacterial activity at neutral pH is enhanced by irradiation.</description><subject>Antimicrobial</subject><subject>Photochemical CO-loss</subject><subject>Picosecond time-resolved infrared spectroscopy</subject><subject>Tungsten based Fischer carbene</subject><issn>0162-0134</issn><issn>1873-3344</issn><fulltext>true</fulltext><rsrctype>article</rsrctype><creationdate>2020</creationdate><recordtype>article</recordtype><recordid>eNqFUdFu0zAUjRCIdYNfAD92UlPs2FmSxyliDGlQHkA8IGQ59s3qKrGD7VT0N_dF3NKxVyTLtq7Puef6nCx7y-iaUXb1brfeWefDfWf9uqAFVhmjFXuWLVhd8ZxzIZ5nC0QWOWVcnGXnMe4opWUpqpfZGS8EF4w1i-zhy9Ynnyud7F4lMKTd5AEGUBGIdSRtgagRpUia3X1M4MiNjXoLgWgVOnBAtB-nAX6vyI9lu7ksv7fLz624rS8_wc8Vmaz2EbR3hiQ7AgkQ_bBHGev6oAJe4gQ6BR-1nw6rv6DcwATOgEsEt2jTgfSzwwG9U8NxIh8QqbClcriQYnXwncXHmGZzeJW96NUQ4fXjeZF9u3n_tb3N7zYfPrbXd7kWBU15hX7VqqNNRykDUwsGVVVdmb43TV82vSpLVpeGQ99ggRVFha5qymsjqhqM4hfZ8tR3Cv7XDDHJEa2BYVAO_BxlIWjJi1KUAqHVCYqDxhigl1OwowoHyag8Bip38ilQeQxUngJF5ptHkbkbwTzx_iWIgOsTAPCrewtBRm3BaTA2oLPSePtfkT8Lobl0</recordid><startdate>202007</startdate><enddate>202007</enddate><creator>McMahon, Suzanne</creator><creator>Rajagopal, Ashwene</creator><creator>Amirjalayer, Saeed</creator><creator>Halpin, Yvonne</creator><creator>Fitzgerald-Hughes, Deirdre</creator><creator>Buma, Wybren Jan</creator><creator>Woutersen, Sander</creator><creator>Long, Conor</creator><creator>Pryce, Mary T.</creator><general>Elsevier Inc</general><scope>NPM</scope><scope>AAYXX</scope><scope>CITATION</scope><scope>7X8</scope></search><sort><creationdate>202007</creationdate><title>Photo-activated CO-release in the amino tungsten Fischer carbene complex, [(CO)5WC(NC4H8)Me], picosecond time resolved infrared spectroscopy, time-dependent density functional theory, and an antimicrobial study</title><author>McMahon, Suzanne ; Rajagopal, Ashwene ; Amirjalayer, Saeed ; Halpin, Yvonne ; Fitzgerald-Hughes, Deirdre ; Buma, Wybren Jan ; Woutersen, Sander ; Long, Conor ; Pryce, Mary T.</author></sort><facets><frbrtype>5</frbrtype><frbrgroupid>cdi_FETCH-LOGICAL-c420t-70718ab09b001ed841e7776dffd9f59fa55185d3ef9d9f1227334c038d478eda3</frbrgroupid><rsrctype>articles</rsrctype><prefilter>articles</prefilter><language>eng</language><creationdate>2020</creationdate><topic>Antimicrobial</topic><topic>Photochemical CO-loss</topic><topic>Picosecond time-resolved infrared spectroscopy</topic><topic>Tungsten based Fischer carbene</topic><toplevel>peer_reviewed</toplevel><toplevel>online_resources</toplevel><creatorcontrib>McMahon, Suzanne</creatorcontrib><creatorcontrib>Rajagopal, Ashwene</creatorcontrib><creatorcontrib>Amirjalayer, Saeed</creatorcontrib><creatorcontrib>Halpin, Yvonne</creatorcontrib><creatorcontrib>Fitzgerald-Hughes, Deirdre</creatorcontrib><creatorcontrib>Buma, Wybren Jan</creatorcontrib><creatorcontrib>Woutersen, Sander</creatorcontrib><creatorcontrib>Long, Conor</creatorcontrib><creatorcontrib>Pryce, Mary T.</creatorcontrib><collection>PubMed</collection><collection>CrossRef</collection><collection>MEDLINE - Academic</collection><jtitle>Journal of inorganic biochemistry</jtitle></facets><delivery><delcategory>Remote Search Resource</delcategory><fulltext>fulltext</fulltext></delivery><addata><au>McMahon, Suzanne</au><au>Rajagopal, Ashwene</au><au>Amirjalayer, Saeed</au><au>Halpin, Yvonne</au><au>Fitzgerald-Hughes, Deirdre</au><au>Buma, Wybren Jan</au><au>Woutersen, Sander</au><au>Long, Conor</au><au>Pryce, Mary T.</au><format>journal</format><genre>article</genre><ristype>JOUR</ristype><atitle>Photo-activated CO-release in the amino tungsten Fischer carbene complex, [(CO)5WC(NC4H8)Me], picosecond time resolved infrared spectroscopy, time-dependent density functional theory, and an antimicrobial study</atitle><jtitle>Journal of inorganic biochemistry</jtitle><addtitle>J Inorg Biochem</addtitle><date>2020-07</date><risdate>2020</risdate><volume>208</volume><spage>111071</spage><epage>111071</epage><pages>111071-111071</pages><artnum>111071</artnum><issn>0162-0134</issn><eissn>1873-3344</eissn><abstract>Picosecond time-resolved infrared spectroscopy was used to probe the photo-induced early state dynamics preceding CO loss in the Fischer carbene complex, [(CO)5WC(NC4H8)CH3]. Time-dependent density functional theory calculations were employed to help in understanding the photochemical and photophysical processes leading to CO-loss. Electrochemical initiated CO release was quantified using gas chromatography. The potential of [(CO)5WC(NC4H8)CH3], as an antimicrobial agent under irradiation conditions was studied using a Staphylococcus aureus strain.
•In [(CO)5WC(NC4H8)Me] psTRIR indicates that CO-loss occurs via an excited state, and with a quantum yield of ~70%.•Formation of a cis-CO loss product is supported using TDDFT calculations.•Antibacterial activity at neutral pH is enhanced by irradiation.</abstract><cop>United States</cop><pub>Elsevier Inc</pub><pmid>32434119</pmid><doi>10.1016/j.jinorgbio.2020.111071</doi><tpages>1</tpages><oa>free_for_read</oa></addata></record> |
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| language | eng |
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| source | Elsevier ScienceDirect Journals |
| subjects | Antimicrobial Photochemical CO-loss Picosecond time-resolved infrared spectroscopy Tungsten based Fischer carbene |
| title | Photo-activated CO-release in the amino tungsten Fischer carbene complex, [(CO)5WC(NC4H8)Me], picosecond time resolved infrared spectroscopy, time-dependent density functional theory, and an antimicrobial study |
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