La（NCS）3.4.5H2O和B15C5在乙醇中的相平衡及热化学研究

采用半微量相平衡方法测定了三元体系Ｌａ（ＮＣＳ）３．４．５Ｈ２Ｏ－Ｂ１５Ｃ５－Ｃ２Ｈ５ＯＨ在２９８．１５Ｋ的溶解度，测定了各饱和溶液的折光率。     

Synergy Between Expert and Machine-Learning Approaches Allows for Improved Retrosynthetic Planning

When computers plan multistep syntheses, they can rely either on expert knowledge or information machine-extracted from large reaction repositories. Both approaches suffer from imperfect functions evaluating reaction choices: expert functions are heuristics based on chemical intuition, whereas machine learning (ML) relies on neural networks (NNs) that can make meaningful predictions only about popular reaction types. This paper shows that expert and ML approaches can be synergistic—specifically, when NNs are trained on literature data matched onto high-quality, expert-coded reaction rules, they achieve higher synthetic accuracy than either of the methods alone and, importantly, can also handle rare/specialized reaction types.     

傅里叶自解卷积-红外光谱分析法应用于中药天麻的鉴别研究

采用水平衰减全反射-傅里叶变换红外光谱法(HATR-FTIR)对不同产地的野生及种植天麻与伪品芭蕉芋、芋及马铃薯进行了测定,并通过傅里叶自解卷积(FSD)进行了转换。在各种带宽因子及增强因子下对真伪品傅里叶自解卷积红外光谱的差异程度进行了分析研究,结果发现带宽因子在75.0～76.0,增强因子为3.2时,天麻与伪品的FSD-IR的差异程度最为明显。结果表明,尽管从FTIR中很难发现野生及种植天麻、无性繁殖及有性繁殖天麻之间的差异,但从FSD-IR中可以看出他们之间的差异。而天麻正品与伪品之间的FSD-IR差别也较大。因此该法可简便、快速、准确地识别不同的天麻及其伪品。     

New Di-(p-hydroxybenzyl) A Hydroxylamine from Gastrodia eleta Bl

Gush.()(/i'leleluBI.isapronlinenttraditionalchineseherbmedicinei.Studiesonthecllenlicalcollstituentsofthisplantwerestartedtwentyyearsago=1andsincethenman}'papershavebeenpublished=-'.However.previouswork1hostlyreportedtheisolationsofphenolcompoundsincludingtheirglycosides=-'.Duringourreinvestigatingonthisplant,di-(p-hydroxybenzyl)hydroxylamineI(Figurel)wasisolatedanditsstructurewaselucidatedonthebasisofHRFABMS(highresolutiontestatombombardmentmassspectroscopy),and1DandZDNMRexperiments.Po…