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Química
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Espectroscopia de resonancia magnética nuclear
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90401por Dashyan, Shushanik Sh., Babaev, Eugene V., Paronikyan, Ervand G., Ayvazyan, Armen G., Paronikyan, Ruzanna G., Hunanyan, Lernik S.“…The search for new effective neurotropic drugs in the series of derivatives of heterocycles containing pharmacophore groups in organic, bioorganic and medical chemistry is a serious problem. Methods: Modern methodology of drugs involves synthesis, physicochemical study, molecular modeling and selection of active compounds through virtual screening and experimental evaluation of the biological activity of new chimeric compounds with pharmacophore fragments. …”
Publicado 2022
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90402por Gao, Peng, Liu, Yan-Qing, Xiao, Wei, Xia, Fei, Chen, Jia-Yun, Gu, Li-Wei, Yang, Fan, Zheng, Liu-Hai, Zhang, Jun-Zhe, Zhang, Qian, Li, Zhi-Jie, Meng, Yu-Qing, Zhu, Yong-Ping, Tang, Huan, Shi, Qiao-Li, Guo, Qiu-Yan, Zhang, Ying, Xu, Cheng-Chao, Dai, Ling-Yun, Wang, Ji-Gang“…METHODS: We used the principle of photo-affinity labeling and click chemistry-based functionalization in the design of a CQ probe and developed a combined deconvolution strategy of activity-based protein profiling (ABPP) and mass spectrometry-coupled cellular thermal shift assay (MS-CETSA) that identified the protein targets of CQ in an unbiased manner in this study. …”
Publicado 2022
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90403por Gasparin, Aléxia Thamara, Araujo, Claudiane Isabel Franco, Schmitt, Patricia, Cardoso, Mônica Ribas, Perussolo, Maiara Carolina, de Jesus, Thainá Caroline Schuartz, Santiago, Erika Bergamo, Silva, Ivan Lucas Reis, de Sousa, Ricardo Gurgel, Teng, Flavia Zhu, Severo, Evair Borges, Ribeiro, Victor Henrique Alves, Cardoso, Milena Andreuzo, Silva, Fernanda D’Amico, de Araujo Perazzoli, Carolina Rodrigues, de Holanda Farias, João Samuel, de Almeida, Bernardo Montesanti Machado, Rogal Júnior, Sergio Renato, Figueredo, Marcus Vinícius Mazega“…In the precision study, analytes showed CV inside the limits established according to European Federation of Clinical Chemistry and Laboratory Medicine guidelines. The flagging capabilities of the Hilab system, compared to the manual microscopy technique, presented high sensibility, specificity, and accuracy. …”
Publicado 2022
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90404“…While investigating the lithiation chemistry of ureas (a “Cinderella” sister of the more established amides and carbamates), we noted an unexpected Truce–Smiles (T-S) rearrangement involving the 1,4-N → C transposition of a urea N′-aryl group to the α-carbanion of an adjacent N-benzyl group. …”
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90405por Zhu, Yunlong, Li, Na, Wu, Mingxing, Peng, Zhiliu, Huang, Haobo, Zhao, Wenjiao, Yi, Liqing, Liao, Min, Liu, Zhican, Peng, Yiqun, Zhou, Yuying, Lu, Jinxin, Li, Guohua, Zeng, Jianping“…Patient‐related basic clinical data including sex, age, blood chemistry, imaging examination, and drug utilization will be obtained and analysed. …”
Publicado 2022
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90406“…The cultivation of Allium fistulosum and Brassica napus significantly altered the composition of soil bacterial and fungal communities, where changes in the abundance of dominant microorganisms, such as Ascomycota, and Mortierellomycota, etc., were closely related to soil chemistry and enzyme activity. Moreover, both significantly reduced the abundance of the pathogenic fungus Ilyonectria. …”
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90407“…ABSTRACT: Monitoring changes in stable oxygen isotope ratios in molecular oxygen allows for studying many fundamental processes in bio(geo)chemistry and environmental sciences. While the measurement of [Formula: see text] O/[Formula: see text] O ratios of [Formula: see text] in gaseous samples can be carried out conveniently and from extracting moderately small aqueous samples for analyses by continuous-flow isotope ratio mass spectrometry (CF-IRMS), oxygen isotope signatures, [Formula: see text] O, could be overestimated by more than 6[Formula: see text] because of interferences from argon in air. …”
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90408por Eder, Kai Moritz, Marzi, Anne, Wågbø, Ane Marit, Vermeulen, Jolanda P., de la Fonteyne-Blankestijn, Liset J. J., Rösslein, Matthias, Ossig, Rainer, Klinkenberg, Geir, Vandebriel, Rob J., Schnekenburger, Jürgen“…Identical experiments were performed by three laboratories, namely the Biomedical Technology Center (BMTZ) of the University of Münster, SINTEF Materials and Chemistry (SINTEF), and the National Institute for Public Health and the Environment (RIVM) of the Netherlands according to new standard operating procedures (SOPs). …”
Publicado 2022
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90409por Tarasova, O. A., Rudik, A. V., Biziukova, N. Yu., Filimonov, D. A., Poroikov, V. V.“…CONCLUSION: The obtained results show that the proposed method can be used for filtering out words that are not related to CNEs; therefore, it can be successfully applied to the extraction of CNEs for the purposes of cheminformatics and medicinal chemistry. SUPPLEMENTARY INFORMATION: The online version contains supplementary material available at 10.1186/s13321-022-00633-4.…”
Publicado 2022
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90410por Wu, Lina, Wu, Qijun, Li, Qiang, Cao, Shuang, Zhang, Yue, Liu, Yong, Qin, Xiaosong“…RIs were calculated according to the International Federation of Clinical Chemistry and Laboratory Medicine recommendations and compared with the established RIs for healthy adult women. …”
Publicado 2022
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90411“…There is a consensus that the current challenges in analytical chemistry include the determination of contaminants at low concentration levels, but at the same time, more efficient and environment-friendly methodologies are required. …”
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90412“…However, to maximize the technique's efficiency, it is essential to understand the chemistry behind the ORP change and how the microbial system responds to it by transmitted or direct effects. …”
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90413“…This study evaluated the impacts of feeding a high-energy finishing diet during both the receiving and finishing period compared with a lower-energy receiving diet with adaptation to the finishing diet on health, performance, serum chemistry, ruminal pH, rumination, and carcass characteristics of high-risk feedlot cattle. …”
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90414“…[Image: see text] The coupled-cluster (CC) singles and doubles with perturbative triples [CCSD(T)] method is frequently referred to as the “gold standard” of modern computational chemistry. However, the high computational cost of CCSD(T) [O(N(7))], where N is the number of basis functions, limits its applications to small-sized chemical systems. …”
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90415“…We find that optimization ability is improved ~ 1.5-fold and sample-efficiency is improved ~ 45-fold compared to REINVENT while still delivering appealing chemistry as output. Diversity filters were used, and their parameters were tuned to overcome observed failure modes that take advantage of certain diversity filter configurations. …”
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90416por Melanson, Stacy E. F., Zhao, Zhen, Kumanovics, Attila, Love, Tanzy, Meng, Qing H., Wu, Alan H. B., Apple, Fred, Ondracek, Caitlin R., Schulz, Karen M., Wiencek, Joseph R., Koch, David, Christenson, Robert, Zhang, Y. Victoria“…DESIGN: A COVID-19 immunity study was performed at the 2021 American Association for Clinical Chemistry Annual Scientific meeting. As part of this study, a REDCap survey with cascading questions was administered from September 9, 2021 to October 20, 2021. …”
Publicado 2022
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90417“…Blood was collected on days 0, 14, and 28 for serum LCFA and chemistry analysis. Digestibility and fecal data were analyzed by ANOVA (SAS v9.4, Cary, NC, USA) and a repeated measures ANOVA for serum ALA. …”
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90418por Selleri, Valentina, Mattioli, Marco, Lo Tartaro, Domenico, Paolini, Annamaria, Zanini, Giada, De Gaetano, Anna, D’Alisera, Roberta, Roli, Laura, Melegari, Alessandra, Maietta, Pasqualino, Tripi, Ferdinando, Guerra, Emanuele, Chester, Johanna, Savino, Gustavo, Trenti, Tommaso, Cossarizza, Andrea, Mattioli, Anna Vittoria, Pinti, Marcello, Nasi, Milena“…Blood samples were collected for the evaluation of fifty analytes including hematologic parameters, serum chemistry, and hormone profiles. Monocytes phenotyping (Mo) was performed and plasmatic markers, usually increased during inflammation [CCL2, IL-18, free mitochondrial (mt)DNA] or with anti-inflammatory effects (IL2RA, IL1RN), were quantified. …”
Publicado 2022
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90419por Sugahara, Otoe, Ribera, Ashley, Danilenko, Uliana, Collins, Lynn, Buchannan, Tatiana, Coffman, Clark, Vazquez, Norma, Pokuah, Fidelia, Zhang, Li, Lyle, Alicia N, Hubert, Vesper, Thonkulpitak, Janet“…In response to these concerns, the CDC CSP has partnered with the International Federation of Clinical Chemistry and Laboratory Medicine (IFCC) and created a standardization program for FT4 based on the IFCC reference system. …”
Publicado 2022
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90420por Gross, Joshua“…Molecular modeling coupled with mutagenesis and medical chemistry supports that N8279 signals through the GHSR1a via a unique extended binding mode requiring the extracellular loop 2 and thereby, enables preferential signaling through the Gαq pathway over alternative G proteins (Gαi∕o, Gα12∕13) and βarr2. …”
Publicado 2022
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