140 results for covid-9 in Last week
Category:
Analytical Chemistry
, Title:
Point-of-Need Disposable ELISA System for COVID-19 Serology Testing
, Authors:
Cody Carrell, Jeremy Link, Ilhoon Jang, James Terry, Michael Scherman, Zachary Call, Yosita Panraksa, David S. Dandy, Brian J. Geiss, Charles Henry
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Instead, a point-of-need device that can be used at home or in doctor’s offices for COVID668
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Category:
Biological and Medicinal Chemistry
, Title:
Open Science Discovery of Oral Non-Covalent SARS-CoV-2 Main Protease Inhibitors
, Authors:
The COVID Moonshot Consortium, John Chodera, Alpha Lee, Nir London, Frank von Delft
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The COVID -19 pandemic is a stark reminder that a barren global antiviral pipeline has grave humanitarian consequences. Future pandemics could be prevented by accessible, easily deployable broad-spectrum oral antivirals and open knowledge bases that derisk and accelerate novel antiviral discovery and development. Here, we report the results of the COVID310
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Category:
Catalysis
, Title:
Engineering a Cytidine Aminotransferase for Biocatalytic Production of the Antiviral Molnupiravir
, Authors:
Ashleigh Burke, William Birmingham, Ying Zhuo, Bruna Zuculoto da Costa, Rebecca Crawshaw, Thomas Thorpe, Ian Rowles, James Finnigan, Simon J. Charnock, Sarah Lovelock, Nicholas Turner, Anthony Green, Carl Young
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The COVID1,561
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Category:
Analytical Chemistry
, Title:
A SARS-CoV-2 aptasensor based on electrochemical impedance spectroscopy and low-cost gold electrode substrates.
, Authors:
Perrine Lasserre, Banushan Balansethupathy, Vincent J. Vezza, Adrian Butterworth, Alexander MacDonald, Ewen O. Blair, Liam McAteer, Stuart Hannah, Andrew C. Ward, Paul A. Hoskisson, Alistair Longmuir, Steven J. Setford, Eoghan C. W. Farmer, Michael E. Murphy, Harriet Flynn, Damion K. Corrigan
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(4) Liverpool COVID-19 community testing pilot: interim evaluation report summary https://www.gov.uk/government/publications/liverpool-covid -19- community-testing-pilot-interim-evaluation-report- summary/liverpool-covid -19-community-testing-pilot-interim- evaluation-report-summary (accessed 2021 -06 -16). (5) European Centre for Disease Prevention and Control. Options for the Use of Rapid Antigen Tests for COVID -19 in the EU/EEA and the UK; ECDC: Stockholm, 2020. (6) World Health Organization. Laboratory Testing for Coro- navirus Disease (COVID76
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Category:
Biological and Medicinal Chemistry
, Title:
Sandacrabins – Structurally unique antiviral RNA polymerase inhibitors from a rare myxobacterium
, Authors:
Chantal Bader, Fabian Panter, Ronald Garcia, Egor Tchesnokov, Sibylle Haid, Christine Walt, Cathrin Spröer, Alexander Kiefer, Matthias Götte, Jörg Overmann, Thomas Pietschmann, Rolf Müller
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B. Bode et al., Nat. Rev. Chem. 2021. [5] K. J. Weissman, R. Müller, Nat. Prod. Rep. 2010, 27, 1276. [6] J. Herrmann, A. A. Fayad, R. Müller, Nat. Prod. Rep. 2017, 34, 135. [7] T. Hoffmann, D. Krug, N. Bozkurt, S. Duddela, R. Jansen, R. Garcia, K. Gerth, H. Steinmetz, R. Müller, Nat. Commun. 2018, 9 , 803. [8] G. Sharma, I. Khatri, S. Subramanian, Genome Biol. Evol. 2016, 8, 2520. [9118
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Category:
Biological and Medicinal Chemistry
, Title:
Enzyvitands: versatile evolvable colorimetric chembioreceptors
, Authors:
Thibaud Rossel, zhang Bing, Raphael Gobat
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Hence, 15 Homovanilic acid is not recognized by either p-BAPCV ⊂ bCA or p-BAPCV ⊂ hCAII suggesting that the catechol moiety plays a critical role for the recognition of the analyte. p-BAPCV ⊂ bCA II and p-BAPCV ⊂ hCAII follows the same trend in recognition of analytes suggesting that the active sites of both proteins are similar and pursue similar recognition patterns (see Figure 4). 9 dopamine is preferentially recognized over 16 DOPAC suggesting that the functional group at the tale of the neurotransmitter interacts with the second coordination of CA. A positive charge plays a key role in the recognition process (9 dopamine) over a negative charge (16 DOPAC). 3.1 Detection of analytes discussion In order to understand the mechanism of selection discriminating the recognition between 9 dopamine and 16 DOPAC we sought to manually dock 9 dopamine inside p-BA ⊂ hCAII. Upon manual bond rotation we found that F-131 was close lying to the tail of 9 dopamine (see Figure 3). We then realized that the close proximity of an aromatic ring to an amine may lead to an NH/π interaction that could stabilize the interaction between 9636
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Category:
Materials Science
, Title:
High performance ambipolar organic mixed ionic-electronic conductor for adaptive logic circuits and neuromorphic electronics
, Authors:
Yanxi Zhang, Eveline van Doremaele, Gang Ye, Tim Stevens, Jun Song, Ryan Chiechi, Yoeri van de Burgt
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In vivo recordings of brain activity using organic transistors. Nat. Commun. 4, 1575 (2013). 8. Khodagholy, D. et al. High transconductance organic electrochemical transistors. Nat. Commun. 4, 2133 (2013). 9 . Romele, P. et al. Multiscale real time and high sensitivity ion detection with complementary organic electrochemical transistors amplifier. Nat. Commun. 11, 3743 (2020). 10. He, R.-X. et al. Detection of bacteria with organic electrochemical transistors. J. Mater. Chem. 22, 22072–22076 (2012). 11. Guo, K. et al. Rapid single-molecule detection of COVID152
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Category:
Biological and Medicinal Chemistry
, Title:
Accelerating AutoDock VINA with GPUs
, Authors:
Tang Shidi, Chen Ruiqi, Lin Mengru, Lin Qingde, Zhu Yanxiang, Wu Jiansheng, Hu Haifeng, Ling Ming
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Computer 2008, 41, 33–38. 25 Appendices Table 1: Complete 140 complexes and their corresponding best search_steps determined PDBid N_atom N_rot best search steps PDBid N_atom N_rot best search steps 5tim 5 0 1 1jla 28 7 1 1aet 6 0 1 1r58 28 10 10 1ac8 8 0 1 1t40 29 6 1 2j5s 11 2 1 1yvf 29 6 10 1w1p 12 0 1 1unl 29 7 1 1n2j 12 5 1 1xoz 30 1 1 1p2y 13 1 1 1l7f 30 8 1 2rdr 13 5 1 1vcj 30 10 10 1lrh 14 2 1 1opk 31 4 1 1tni 14 5 1 1m2z 31 5 1 1jd0 15 2 1 2br1 31 7 1 1n1m 15 3 1 2bsm 31 7 1 1uwc 15 4 1 1z95 31 8 1 1hww 16 3 1 1qi0 31 12 10 1q4g 17 3 1 1a30 31 13 10 1tt1 17 4 1 3l4u 31 17 10 1of6 17 5 1 1s3v 32 6 1 1x8x 17 5 1 1hwi 32 10 10 1hnn 18 2 1 2bm2 33 7 10 1r9o 18 3 1 1s19 33 8 1 1n2v 18 3 1 1v0p 33 8 1 1sq5 18 8 1 1r1h 33 10 1 26 4elm2 18 14 1 1oyt 34 4 1 2ifb 18 14 10 1hvy 34 9 10 1uou 19 2 1 1pmn 35 6 1 1hq2 19 2 1 1sj0 36 8 1 1tow 19 4 1 3oe5 36 11 10 1l2s 20 4 1 1lpz 37 6 10 1w2g 20 4 1 1y6b 37 8 10 1sg0 20 5 1 1uml 37 11 1 1xm6 20 5 1 3bpc 37 15 10 3uex 20 16 10 1ywr 38 5 1 1of1 21 4 1 1mzc 38 8 10 1ig3 21 6 10 10gs 38 14 10 1gpk 22 1 1 3coy 39 11 10 1j3j 22 3 1 2x97 39 13 1 1p62 22 4 1 1os0 39 13 30 1tz8 22 6 1 4tmn 39 14 30 1u1c 22 7 1 1t46 40 6 10 1mmv 22 8 10 3bkk 40 14 1 1u4d 23 0 1 3ov1 41 12 20 1sqn 23 2 1 2xhm 42 14 10 1yv3 23 2 1 1h23 42 15 10 4fev 23 3 1 4djr 43 15 10 2brt 23 4 10 7cpa 43 15 10 1k3u 23 6 10 3l3n 43 16 1 1q41 24 1 1 1w3l 43 16 10 1t9b 24 3 1 2r23 43 19 20 27 1ia1 24 3 1 3s8o 44 12 10 1hp0 24 5 1 5kao 44 15 1 1nav 24 6 1 1sln 44 17 10 1meh 24 7 1 2d1o 44 23 10 1gkc 24 8 10 1kzk 45 11 10 3kwa 24 13 1 3zso 45 13 10 1gm8 25 4 1 5wlo 46 10 10 1yqy 25 5 10 1ygc 47 13 20 1v48 25 6 10 1u33 47 18 1 1jje 25 7 10 4gid 53 17 10 1v4s 26 4 1 3utu 54 16 30 1ke5 26 4 1 1hfs 54 18 10 1q1g 26 5 1 2xy9 54 18 10 1g9v 26 6 1 3pww 55 14 10 1lbk 26 11 10 1u1b 55 16 50 2wbg 26 11 10 3cyx 56 14 20 1owe 27 3 1 1jyq 60 20 30 1oq5 27 5 1 3drf 63 26 1 3tmn 27 7 1 2vaa 87 32 30 1xoq 27 7 1 2er7 89 32 100 1r55 27 9 10 4er4 93 30 80 1n46 28 5 1 3er5 108 31 10 Table 2: VINA-GPU docking results (in score) using the predicted search_steps PDBid N_atom N_rot predicted search steps VINA score score criterion VINA-GPU score 28 1aet 6 0 1 -4 -3 -4 2j5s 11 2 1 -5.9 -4.9 -5.9 1p2y 13 1 1 -7.3 -6.3 -7.3 1jd0 15 2 1 -6 -5 -5.9 1of6 17 5 1 -8.4 -7.4 -8.3 1n2v 18 3 1 -7.2 -6.2 -7.1 2ifb 18 14 4 -7.4 -6.4 -6.3 1w2g 20 4 1 -9 -8 -9 1of1 21 4 1 -9.1 -8.1 -9122
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Category:
Organic Chemistry
, Title:
Unified Total Synthesis of the Brevianamide Alkaloids Enabled by Chemical Investigations into their Biosynthesis.
, Authors:
Robert C. Godfrey, Helen E. Jones, Nicholas J. Green, Andrew L. Lawrence
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However, the less nucleophilic ammonia in methanol not only deprotected the primary amine but also resulted in spontaneous cyclization to give (+)- dehydrodeoxybrevianamide E (9 ) in 49% yield over the three steps from methyl ester 17.28 Thus, the total synthesis of (+)-dehydrodeoxybrevianamide E (9 ) has been achieved in a longest linear sequence of 5 steps, in 35% overall yield, and requires just 2 chromatographic purifications (cf. previous synthesis: 12 steps, 8% overall yield).12g-h Scheme 4. Five-step, gram-scale total synthesis of (+)-dehydrodeoxybrevianamide E (9 ). Total Synthesis of Brevianamides A (1) and B (2). Oxidation of (+)-dehydrodeoxybrevianamide E (9238
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Category:
Theoretical and Computational Chemistry
, Title:
Evaluating scalable supervised learning for synthesize-on-demand chemical libraries
, Authors:
Moayad Alnammi, Shengchao Liu, Spencer S Ericksen, Gene E Ananiev, Andrew F Voter, Song Guo, James L Keck, F Michael Hoffmann, Scott A Wildman, Anthony Gitter
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Model Ensemble Ensemble \ Model Model \ Ensemble XGB-R Model-Based #0 22 2 XGB-R Model-Based #1 20 2 XGB-R Model-Based #2 0 0 XGB-R Model-Based #3 18 2 XGB-R Model-Based #4 14 5 XGB-R Model-Based #5 14 5 XGB-R Model-Based #6 13 3 XGB-R Model-Based #7 15 5 XGB-R Model-Based #8 12 3 XGB-R Model-Based #9 15 3 XGB-R Model-Based #10 18 4 XGB-R Model-Based #11 19 4 XGB-R Model-Based #12 14 4 XGB-R Max Vote #0 22 2 XGB-R Max Vote #1 20 2 XGB-R Max Vote #2 0 0 XGB-R Max Vote #3 18 2 XGB-R Max Vote #4 14 5 XGB-R Max Vote #5 14 5 XGB-R Max Vote #6 15 5 XGB-R Max Vote #7 14 5 XGB-R Max Vote #8 16 5 XGB-R Max Vote #9 15 5 XGB-R Max Vote #10 15 5 XGB-R Max Vote #11 15 5 XGB-R Max Vote #12 15 4 61 Table S5: Top NN-C model versus the ensembles. Set difference of actives when filtering for the top 427 predictions on fold 9 in the model selection stage. Model Ensemble Ensemble \ Model Model \ Ensemble NN-C Model-Based #0 4 0 NN-C Model-Based #1 4 2 NN-C Model-Based #2 2 18 NN-C Model-Based #3 0 0 NN-C Model-Based #4 2 9 NN-C Model-Based #5 2 9 NN-C Model-Based #6 3 9 NN-C Model-Based #7 2 8 NN-C Model-Based #8 2 9 NN-C Model-Based #96
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