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This paper’s main objective is to show that many different factors must be considered when solving stereochemical problems to avoid misleading conclusions and obtain conclusive results from the analysis of spectroscopic properties. Particularly in determining the absolute configuration, the use of chiroptical methods is crucial, especially when other techniques, including X-ray crystallography, fail, are not applicable, or give inconclusive results. Based on various β-lactam derivatives as models, we show how to reliably determine their absolute configuration (AC) and preferred conformation from circular dichroism (CD) spectra. Comprehensive CD analysis, employing both approaches, i.e., traditional with their sector and helicity rules, and state-of-the-art supported by quantum chemistry (QC) calculations along with solvation models for both electronic (ECD) and vibrational (VCD) circular dichroism ranges, allows confident defining stereochemistry of the β-lactams studied. Based on an in-depth analysis of the results, we have shown that choosing a proper chiroptical method/s strictly depends on the specific case and certain structural features. 相似文献
995.
Epidemics can particularly threaten certain sub-populations. For example, for severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2), the elderly are often preferentially protected. For diseases of plants and animals, certain sub-populations can drive mitigation because they are intrinsically more valuable for ecological, economic, socio-cultural or political reasons. Here, we use optimal control theory to identify strategies to optimally protect a ‘high-value’ sub-population when there is a limited budget and epidemiological uncertainty. We use protection of the Redwood National Park in California in the face of the large ongoing state-wide epidemic of sudden oak death (caused by Phytophthora ramorum) as a case study. We concentrate on whether control should be focused entirely within the National Park itself, or whether treatment of the growing epidemic in the surrounding ‘buffer region’ can instead be more profitable. We find that, depending on rates of infection and the size of the ongoing epidemic, focusing control on the high-value region is often optimal. However, priority should sometimes switch from the buffer region to the high-value region only as the local outbreak grows. We characterize how the timing of any switch depends on epidemiological and logistic parameters, and test robustness to systematic misspecification of these factors due to imperfect prior knowledge. 相似文献
996.
介绍了一种基于P89C668HFA单片机的可在线编程的圆机控制器,给出了该控制器的硬件原理框图和ISP的具体实现方法.实例表明,应用该控制器可以方便的实现用户自定义信息的更新和软件的远程升级. 相似文献
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According to the concept of circular economy, the mass integration of alcohol production was investigated though the analysis of the carbon element contained in raw material cassava. Through the mass integration, the distillage wastewater turned into carbon resource and produced a great deal of by-product biogas while its chemical oxygen demand (COD) was reduced from 50000 mg/L to not more than 300 mg/L, the local secondary effluent standards, and other by-products such as CO2 (liquidized) and fusel oil were recovered. In the way, the consumption of raw material was only 2.2 tons cassava to produce 1 ton alcohol (96%, j) in the case study, much lower than the average level 2.92 t/t in China. The carbon element balance for production of alcohol was made through testing the concentrations of the carbon element of all mass flows. The results showed that the mass integration helped the availability of the carbon element increased from 44.74% to 64.75%. 相似文献
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