Monomers of Glycine and Serine Have a Limited Ability to Hydrate in the Atmosphere,The Journal of Physical Chemistry A

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Monomers of Glycine and Serine Have a Limited Ability to Hydrate in the Atmosphere
The Journal of Physical Chemistry A ( IF 2.7 ) Pub Date : 2021-09-16 , DOI: 10.1021/acs.jpca.1c05466
Benjamin T Ball ₁ , Sara Vanovac ₁ , Tuguldur T Odbadrakh ₁ , George C Shields ₁

Affiliation

The role of atmospheric aerosols on climate change is one of the biggest uncertainties in most global climate models. Organic aerosols have been identified as potential cloud condensation nuclei (CCN), and amino acids are organic molecules that could serve as CCN. Amino acids make up a significant portion of the total organic material in the atmosphere, and herein we present a systematic study of hydration for two of the most common atmospheric amino acids, glycine and serine. We compute DLPNO/CCSD(T)//M08-HX/MG3S thermodynamic properties and atmospheric concentrations of Gly(H₂O)_n and Ser(H₂O)_n, where n = 1–5. We predict that serine–water clusters have higher concentrations at n = 1 and 5, while glycine–water clusters have higher concentrations at n = 2–4. However, both glycine and serine are inferred to exist primarily in their nonhydrated monomer forms in the absence of other species such as sulfuric acid.

中文翻译：

甘氨酸和丝氨酸单体在大气中的水合能力有限

大气气溶胶对气候变化的作用是大多数全球气候模型中最大的不确定因素之一。有机气溶胶已被确定为潜在的云凝结核 (CCN)，氨基酸是可用作 CCN 的有机分子。氨基酸占大气中总有机物质的很大一部分，在此我们对两种最常见的大气氨基酸甘氨酸和丝氨酸的水合作用进行了系统研究。我们计算 DLPNO/CCSD(T)//M08-HX/MG3S 热力学性质和 Gly(H ₂ O) _n和 Ser(H ₂ O) _{n 的}大气浓度，其中n = 1–5。我们预测丝氨酸-水簇在n处具有更高的浓度= 1 和 5，而甘氨酸-水簇在n = 2-4处具有更高的浓度。然而，推测甘氨酸和丝氨酸在没有其他物质（如硫酸）的情况下主要以其非水合单体形式存在。

更新日期：2021-09-30

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