Biomacromolecules·· 13 小时前AI 评分38
氧化降解改变聚苯乙烯纳米颗粒与肺表面活性剂单层的相互作用：反应性与经典分子动力学研究
Oxidative Degradation Alters the Interactions of Polystyrene Nanoparticles with Lung Surfactant Monolayers: A Reactive and Classical Molecular Dynamics Study
AI 导读
采用ReaxFF在氧气中模拟聚苯乙烯（PS）纳米颗粒的氧化降解，生成羟基、羰基、醛、醚和过氧基团并发生交联。氧化后的PS纳米颗粒深入肺表面活性剂单层脂质层，与表面活性剂分子的静电作用更强，易位力和膜扰动均小于原始PS颗粒。氧化颗粒还改变了单层的力学响应并显著降低表面张力。
图表、补充材料与最终表述以原文为准。阅读原文
来源：Biomacromolecules · doi.org
%20Microsoft%20Corporation.%20Permission%20is%20hereby%20granted,%20free%20of%20charge,%20to%20any%20person%20obtaining%20a%20copy%20of%20this%20software%20and%20associated%20documentation%20files%20(the%20'Software'),%20to%20deal%20in%20the%20Software%20without%20restriction,%20including%20without%20limitation%20the%20rights%20to%20use,%20copy,%20modify,%20merge,%20publish,%20distribute,%20sublicense,%20and/or%20sell%20copies%20of%20the%20Software,%20and%20to%20permit%20persons%20to%20whom%20the%20Software%20is%20furnished%20to%20do%20so,%20subject%20to%20the%20following%20conditions:%20The%20above%20copyright%20notice%20and%20this%20permission%20notice%20shall%20be%20included%20in%20all%20copies%20or%20substantial%20portions%20of%20the%20Software.%20THE%20SOFTWARE%20IS%20PROVIDED%20'AS%20IS',%20WITHOUT%20WARRANTY%20OF%20ANY%20KIND,%20EXPRESS%20OR%20IMPLIED,%20INCLUDING%20BUT%20NOT%20LIMITED%20TO%20THE%20WARRANTIES%20OF%20MERCHANTABILITY,%20FITNESS%20FOR%20A%20PARTICULAR%20PURPOSE%20AND%20NONINFRINGEMENT.%20IN%20NO%20EVENT%20SHALL%20THE%20AUTHORS%20OR%20COPYRIGHT%20HOLDERS%20BE%20LIABLE%20FOR%20ANY%20CLAIM,%20DAMAGES%20OR%20OTHER%20LIABILITY,%20WHETHER%20IN%20AN%20ACTION%20OF%20CONTRACT,%20TORT%20OR%20OTHERWISE,%20ARISING%20FROM,%20OUT%20OF%20OR%20IN%20CONNECTION%20WITH%20THE%20SOFTWARE%20OR%20THE%20USE%20OR%20OTHER%20DEALINGS%20IN%20THE%20SOFTWARE%20--%3e%3csvg%20width='32'%20height='32'%20viewBox='0%200%2032%2032'%20fill='none'%20xmlns='http://www.w3.org/2000/svg'%3e%3cpath%20d='M4.71839%2018.0233C5.11525%2017.458%205.8952%2017.3215%206.46045%2017.7184L18.5318%2026.1936L17.0946%2028.2406L5.02328%2019.7653C4.45803%2019.3685%204.32152%2018.5885%204.71839%2018.0233Z'%20fill='%235092FF'/%3e%3cpath%20d='M18.5013%202.80347C18.8302%202.3598%2019.4615%202.25982%2019.9114%202.58017L21.5841%203.77124C22.034%204.09158%2022.1321%204.71094%2021.8032%205.15461L13.1102%2016.8809C12.4436%2017.7801%2011.1641%2017.9827%2010.2523%2017.3335C9.34053%2016.6842%209.14176%2015.429%209.80835%2014.5298L18.5013%202.80347Z'%20fill='%23636363'/%3e%3cpath%20d='M18.0472%203.66594C16.8384%203.31432%2015.3804%203.86071%2014.5971%204.91739L11.7749%208.7243L11.9999%2010.0001L10.6024%2010.306L10.3989%2010.5805C9.07399%2012.3677%209.47824%2014.8692%2011.3018%2016.1677C13.1254%2017.4662%2015.6778%2017.07%2017.0027%2015.2828L17.1623%2015.0675L16.9999%2013.5001H18.3242L18.4883%2013.2787C21.992%2013.9302%2023.8684%2016.851%2023.963%2019.8545C24.0149%2021.5041%2023.5209%2023.1307%2022.4806%2024.3899C21.4537%2025.6329%2019.8112%2026.6185%2017.3793%2026.8486C16.5451%2026.9276%2015.9304%2027.6956%2016.0062%2028.564C16.082%2029.4325%2016.8197%2030.0725%2017.6539%2029.9935C20.7829%2029.6974%2023.1847%2028.3804%2024.7802%2026.4491C26.3624%2024.5339%2027.069%2022.1145%2026.9946%2019.751C26.8719%2015.8564%2024.6058%2011.9837%2020.5048%2010.5586L21.2008%209.61967C21.9842%208.56299%2022.0639%207.03517%2021.3491%206.01708L18.0472%203.66594Z'%20fill='%23BEBEBE'/%3e%3cpath%20d='M2%2029.2C2%2027.4327%203.43269%2026%205.2%2026H26.8C28.5673%2026%2030%2027.4327%2030%2029.2C30%2029.6418%2029.6418%2030%2029.2%2030H2.8C2.35817%2030%202%2029.6418%202%2029.2Z'%20fill='%239B9B9B'/%3e%3cpath%20d='M11.7757%208.70947L18.3343%2013.4746L17.1588%2015.0927L10.6001%2010.3275L11.7757%208.70947Z'%20fill='%23D3D3D3'/%3e%3c/svg%3e){kind=small}
%20Microsoft%20Corporation.%20Permission%20is%20hereby%20granted,%20free%20of%20charge,%20to%20any%20person%20obtaining%20a%20copy%20of%20this%20software%20and%20associated%20documentation%20files%20(the%20'Software'),%20to%20deal%20in%20the%20Software%20without%20restriction,%20including%20without%20limitation%20the%20rights%20to%20use,%20copy,%20modify,%20merge,%20publish,%20distribute,%20sublicense,%20and/or%20sell%20copies%20of%20the%20Software,%20and%20to%20permit%20persons%20to%20whom%20the%20Software%20is%20furnished%20to%20do%20so,%20subject%20to%20the%20following%20conditions:%20The%20above%20copyright%20notice%20and%20this%20permission%20notice%20shall%20be%20included%20in%20all%20copies%20or%20substantial%20portions%20of%20the%20Software.%20THE%20SOFTWARE%20IS%20PROVIDED%20'AS%20IS',%20WITHOUT%20WARRANTY%20OF%20ANY%20KIND,%20EXPRESS%20OR%20IMPLIED,%20INCLUDING%20BUT%20NOT%20LIMITED%20TO%20THE%20WARRANTIES%20OF%20MERCHANTABILITY,%20FITNESS%20FOR%20A%20PARTICULAR%20PURPOSE%20AND%20NONINFRINGEMENT.%20IN%20NO%20EVENT%20SHALL%20THE%20AUTHORS%20OR%20COPYRIGHT%20HOLDERS%20BE%20LIABLE%20FOR%20ANY%20CLAIM,%20DAMAGES%20OR%20OTHER%20LIABILITY,%20WHETHER%20IN%20AN%20ACTION%20OF%20CONTRACT,%20TORT%20OR%20OTHERWISE,%20ARISING%20FROM,%20OUT%20OF%20OR%20IN%20CONNECTION%20WITH%20THE%20SOFTWARE%20OR%20THE%20USE%20OR%20OTHER%20DEALINGS%20IN%20THE%20SOFTWARE%20--%3e%3csvg%20width='32'%20height='32'%20viewBox='0%200%2032%2032'%20fill='none'%20xmlns='http://www.w3.org/2000/svg'%3e%3cpath%20d='M3%2013C3%2018.5228%207.47715%2023%2013%2023C18.5228%2023%2023%2018.5228%2023%2013C23%207.47715%2018.5228%203%2013%203C7.47715%203%203%207.47715%203%2013Z'%20fill='%2300A6ED'/%3e%3cpath%20d='M18.3481%207.73205C18.9004%208.68864%2018.7665%209.79989%2018.049%2010.2141C17.3316%2010.6283%2016.3023%2010.1886%2015.75%209.23205C15.1977%208.27547%2015.3316%207.16421%2016.049%206.75C16.7665%206.33579%2017.7958%206.77547%2018.3481%207.73205Z'%20fill='white'/%3e%3cpath%20d='M2%2013C2%2019.0751%206.92487%2024%2013%2024C15.2952%2024%2017.4262%2023.2971%2019.1895%2022.0947C18.9147%2023.3086%2019.2498%2024.6327%2020.195%2025.5779L23.3769%2028.7599C24.8414%2030.2243%2027.2158%2030.2243%2028.6803%2028.7599C30.1447%2027.2954%2030.1447%2024.921%2028.6803%2023.4566L25.4983%2020.2746C24.5607%2019.3371%2023.2503%2018.9997%2022.0445%2019.2626C23.2774%2017.4852%2024%2015.327%2024%2013C24%206.92487%2019.0751%202%2013%202C6.92487%202%202%206.92487%202%2013ZM22%2013C22%2017.9706%2017.9706%2022%2013%2022C8.02944%2022%204%2017.9706%204%2013C4%208.02944%208.02944%204%2013%204C17.9706%204%2022%208.02944%2022%2013Z'%20fill='%23533566'/%3e%3c/svg%3e){kind=small}