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排序方式: 共有259条查询结果,搜索用时 15 毫秒
1.
There is a high correlation between molecular surface area (TSA) of triorganotin and triorganolead compounds and their toxicity towards a bacterium (Escherichia coli) and an alga (Selenastrum capricornutum). Parallel attempts to correlate other Group IVA organometals incorporating silicon or germanium were unsuccessful. It was further demonstrated, however, that a high correlation was obtainable between certain series of compounds with the same organic substituent but different metal centers involving all Group IVA elements. In both instances, the inability to obtain a quantitative structure-activity relationship (QSAR) for all systems studied appears to be a function of the solubility of the compounds. While organotin TSA values have been found to correlate well with their toxicities toward various organisms, this study clearly suggests that this type of QSAR can be readily extended to include other organometal systems, provided that there is no solubility problem and the toxicity is a function of the hydrophobicity of the organometal compounds. 相似文献
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A facile and automated procedure for the synthesis of oligodeoxynucleotides possessing derivatives of 9-fluoreneone, 9,10-anthraquinone, and phenothiazine is described. The phosphoramidite approach is used to attach these redox and spectroscopic probes to the 5'-terminus of oligodeoxynucleotides in high yield (>95%). Thermal denaturation studies of labeled oligodeoxynucleotides show a slight enhancement in duplex stability relative to the unlabeled control, and circular dichroism spectra confirm B-form helical DNA structure in solution. 相似文献
4.
Dr. Oleksii Zozulia Dr. Liam R. Marshall Dr. Inhye Kim Eric M. Kohn Prof. Dr. Ivan V. Korendovych 《Chemistry (Weinheim an der Bergstrasse, Germany)》2021,27(17):5388-5392
The self-assembly of short peptides gives rise to versatile nanomaterials capable of promoting efficient catalysis. We have shown that short, seven-residue peptides bind hemin to produce functional catalytic materials which display highly efficient peroxidation activity, reaching a catalytic efficiency of 3×105 m −1 s−1. Self-assembly is essential for catalysis as non-assembling controls show no activity. We have also observed peroxidase activity even in the absence of hemin, suggesting the potential to alter redox properties of substrates upon association with the assemblies. These results demonstrate the practical utility of self-assembled peptides in various catalytic applications and further support the evolutionary link between amyloids and modern-day enzymes. 相似文献
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Spencer LP Gdula RL Hayton TW Scott BL Boncella JM 《Chemical communications (Cambridge, England)》2008,(40):4986-4988
The bis(imido) uranium(VI)-C(5)H(5) and -C(5)Me(5) complexes (C(5)H(5))(2)U(N(t)Bu)(2), (C(5)Me(5))(2)U(N(t)Bu)(2), (C(5)H(5))U(N(t)Bu)(2)(I)(dmpe), and (C(5)H(5))(2)U(N(t)Bu)(2)(dmpe) can be synthesized from reactions between U(N(t)Bu)(2)(I)(2)(L)(x) (L=THF, x=2; L=dmpe, x=1) and Na(C(5)R(5)) (R=H, Me); these complexes represent the first structurally characterized C(5)H(5)-compounds of uranium(VI) and they further highlight the differences between UO(2)(2+) and the bis(imido) fragment. 相似文献
7.
A Carbene‐Rich but Carbonyl‐Poor [Ir6(IMe)8(CO)2H14]2+ Polyhydride Cluster as a Deactivation Product from Catalytic Glycerol Dehydrogenation 下载免费PDF全文
Jesús Campos Liam S. Sharninghausen Prof. Robert H. Crabtree Dr. David Balcells 《Angewandte Chemie (International ed. in English)》2014,53(47):12808-12811
The title cluster, a deactivation product in the catalytic dehydrogenation of glycerol, was characterized by XRD, DFT calculations, HRMS, FTIR spectroscopy, and NMR spectroscopy. Experimental/computational studies located the 14 H ligands, and all 1H and 13C{1H} NMR resonances were assigned. The structure contains an unprecedented Ir6H14 core with two CO and eight IMe ligands. 相似文献
8.
Juntao Li Liam O’Faolain Sebastian A. Schulz Thomas F. Krauss 《Photonics and Nanostructures》2012,10(4):589-593
We have designed slow light photonic crystal waveguides operating in a low loss and constant dispersion window of Δλ = 2 nm around λ = 1565 nm with a group index of ng = 60. We experimentally demonstrate a relatively low propagation loss, of 130 dB/cm, for waveguides up to 800 μm in length. This result is particularly remarkable given that the waveguides were written on an electron-beam lithography tool with a writefield of 100 μm that exhibits stitching errors of typically 10–50 nm. We reduced the impact of these stitching errors by introducing “slow–fast–slow” mode conversion interfaces and show that these interfaces reduce the loss from 320 dB/cm to 130 dB/cm at ng = 60. This significant improvement highlights the importance of the slow–fast–slow method and shows that high performance slow light waveguides can be realised with lengths much longer than the writing field of a given e-beam lithography tool. 相似文献
9.
Anna K. Yanchenko Graham Tierney Joseph Lawson Christoph Hellmayr Andrew Cron Mike West 《商业与工业应用随机模型》2023,39(3):292-309
Forecasting enterprise-wide revenue is critical to many companies and presents several challenges and opportunities for significant business impact. This case study is based on model developments to address these challenges for forecasting in a large-scale retail company. Focused on multivariate revenue forecasting across collections of supermarkets and product categories, hierarchical dynamic models are natural: these are able to couple revenue streams in an integrated forecasting model, while allowing conditional decoupling to enable relevant and sensitive analysis together with scalable computation. Structured models exploit multi-scale modeling to cascade information on price and promotion activities as predictors relevant across categories and groups of stores. With a context-relevant focus on forecasting revenue 12 weeks ahead, the study highlights product categories that benefit from multi-scale information, defines insights into when, how, and why multivariate models improve forecast accuracy, and shows how cross-category dependencies can relate to promotion decisions in one category impacting others. Bayesian modeling developments underlying the case study are accessible in custom code for interested readers. 相似文献
10.
Susana Estopiñá-Durán Liam J. Donnelly Euan B. Mclean Bryony M. Hockin Prof. Alexandra M. Z. Slawin Dr. James E. Taylor 《Chemistry (Weinheim an der Bergstrasse, Germany)》2019,25(15):3950-3956
A combination of pentafluorophenylboronic acid and oxalic acid catalyses the dehydrative substitution of benzylic alcohols with a second alcohol to form new C−O bonds. This method has been applied to the intermolecular substitution of benzylic alcohols to form symmetrical ethers, intramolecular cyclisations of diols to form aryl-substituted tetrahydrofuran and tetrahydropyran derivatives, and intermolecular crossed-etherification reactions between two different alcohols. Mechanistic control experiments have identified a potential catalytic intermediate formed between the aryl boronic acid and oxalic acid. 相似文献