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ACS Combinatorial Science

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https://www.readbyqxmd.com/read/30011989/development-of-biphasic-formulations-for-use-in-electrowetting-based-liquid-lenses-with-a-high-refractive-index-difference
#1
Matthias S Ober, Daniel Dermody, Mathieu Maillard, Franck Amiot, Géraldine Malet, Benjamin Burger, Caroline Woelfle-Gupta, Bruno Berge
Commercial electrowetting-based liquid lenses are optical devices containing two immiscible liquids as an optical medium. The first phase is a droplet of a high refractive index oil phase placed in a ring-shaped chassis. The second phase is electrically conductive and has a similar density over a wide temperature range. Droplet curvature and refractive index difference of two liquids determine the optical strength of the lens. Liquid lenses take advantage of the electrowetting effect, which induces a change of the interface's curvature by applying a voltage, thereby providing a variable focal that is useful in autofocus applications...
July 16, 2018: ACS Combinatorial Science
https://www.readbyqxmd.com/read/30011183/poly-adenine-coupled-lamp-barcoding-to-detect-apple-scar-skin-viroid
#2
Se Hee Lee, Gna Ahn, Myung-Su Kim, Ok Chan Jeong, Jong Hyun Lee, Hyuck Gi Kwon, Yang-Hoon Kim, Ji-Young Ahn
Apple Scar Skin Viroid (ASSVd), a non-protein coding, circular RNA pathogen limits the detection based on the immunoassay. In this study, LAMP-barcoding assay for one-step reveres transcription loop-mediated isothermal amplification (RT-LAMP) was developed to improve the LAMP selectivity and promote its diagnostic use in detecting ASSVd in plants. ASSVd LAMP was accelerated by the use of loop primers and highly sensitive with a detection limit of 104 copies of cDNA-ASSVd within 30 min. The real-time LAMP and melting curve analysis could differentiate between the true-positive LAMP amplicons and false-positive non-specific primer amplification products...
July 16, 2018: ACS Combinatorial Science
https://www.readbyqxmd.com/read/29969235/sustainable-flow-synthesis-of-encoded-beads-for-combinatorial-chemistry-and-chemical-biology
#3
Hongxia Hu, Sergei Valeryevich Nikitin, Adam Bjørnholdt Berthelsen, Frederik Diness, Sanne Schoffelen, Morten Meldal
Monosized beads of polar resins were synthesized for combinatorial chemistry and chemical biology by sustainable microchannel flow synthesis. Regular, biocompatible and optically encoded beads could be efficiently prepared on large scale and in high yield. In a preparative flow polymerization instrument, taking advantage of a designed T-connector for droplet formation, quality beads were synthesized with accurate size control using a minimal amount of recirculating silicon oil as suspension medium. Bead-size was controlled through shear imposed by the silicon oil flowrate...
July 3, 2018: ACS Combinatorial Science
https://www.readbyqxmd.com/read/29969011/synthesis-of-2-alkylsulfonyl-imidazoles-with-three-diversity-positions-from-immobilized-alpha-acylamino-ketones
#4
Petra Kralova, Miroslav Soural
The synthesis of novel imidazole derivatives via immobilized -acylamino ketones is reported in this article. The key intermediates were prepared from the Wang-piperazine resin-supported Fmoc-amino acids. After their sulfonylation with 4-nitrobenzenesulfonyl chloride (4-Nos-Cl) followed by alkylation with -bromoketones and cleavage of Nos group, the resulting -acylamino ketones were reacted with Fmoc-isothiocyanate. The corresponding Fmoc-thioureas were subjected to the Fmoc-cleavage and spontaneous ring-closure to imidazole scaffold...
July 3, 2018: ACS Combinatorial Science
https://www.readbyqxmd.com/read/29966095/selective-small-molecule-recognition-of-rna-base-pairs
#5
Hafeez S Haniff, Amanda Graves, Matthew D Disney
Many types of RNAs exist in the human transcriptome, yet only the bacterial ribosome has been exploited as a small molecule drug target. Aside from ribosomal RNA, other cellular RNAs such as non-coding RNAs have primarily secondary structure and limited tertiary structure. Within these secondary structures of non-canonically paired and unpaired regions, more than 50% are base paired, with most efforts to target these structures focused on looped regions. A void exists in the availability of small molecules capable of targeting RNA base pairs...
July 2, 2018: ACS Combinatorial Science
https://www.readbyqxmd.com/read/29812898/molecular-docking-analysis-and-biochemical-evaluation-of-levansucrase-from-sphingobium-chungbukense-dj77
#6
Soo Youn Lee, Woo-Ri Shin, Simranjeet Singh Sekhon, Jin-Pyo Lee, Young-Chang Kim, Ji-Young Ahn, Yang-Hoon Kim
Bacterial exopolymer Levan (β-(2,6) polyfructan) synthesized by levansucrase has attracted interest for various applications due to its low intrinsic viscosity compared with other polysaccharides. We report a novel levansucrase (Lsc) isolated from Sphingobium chunbukense DJ77 and verify its biochemical characteristics by comparative analysis of molecular docking analysis (MOE) and catalytic residue analysis. The complete sequence of the Lsc encoding gene ( lsc) was cloned under the direction of the T7 promoter and purified in an Escherichia coli BL21 (DE3) protein expression system...
June 15, 2018: ACS Combinatorial Science
https://www.readbyqxmd.com/read/29812897/cipergenesis-a-mutagenesis-approach-that-produces-small-libraries-of-circularly-permuted-proteins-randomly-opened-at-a-focused-region-testing-on-the-green-fluorescent-protein
#7
Paul Gaytán, Abigail Roldán-Salgado, Jorge A Yáñez, Sandra Morales-Arrieta, Víctor R Juárez-González
Circularly permuted proteins (cpPs) represent a novel type of mutant proteins with original termini that are covalently linked through a peptide connector and opened at any other place of the polypeptide backbone to create new ends. cpPs are finding wide applications in biotechnology because their properties may be quite different from those of the parental protein. However, the actual challenge for the creation of successful cpPs is to identify those peptide bonds that can be broken to create new termini and ensure functional and well-folded cpPs...
June 12, 2018: ACS Combinatorial Science
https://www.readbyqxmd.com/read/29792668/out-of-plane-ionic-conductivity-measurement-configuration-for-high-throughput-experiments
#8
Ruiyun Huang, Chris J Kucharczyk, Yangang Liang, Xiaohang Zhang, Ichiro Takeuchi, Sossina M Haile
An approach for measuring conductivity of thin-film electrolytes in an out-of-plane configuration, amenable to high-throughput experimentation, is presented. A comprehensive analysis of the geometric requirements for success is performed. Using samaria-doped ceria (Ce0.8 Sm0.2 O1.9 , SDC) excellent agreement between bulk samples and thin films with continuous and patterned electrodes, 100-500 μm in diameter, is demonstrated. Films were deposited on conductive Nb-doped SrTiO3 , and conductivity was measured by AC impedance spectroscopy over the temperature range from ∼200 to ∼500 °C...
June 12, 2018: ACS Combinatorial Science
https://www.readbyqxmd.com/read/29771115/combinatorial-nitrogen-gradients-in-sputtered-thin-films
#9
Yanbing Han, Bethany Matthews, Dennice Roberts, Kevin R Talley, Sage R Bauers, Craig Perkins, Qun Zhang, Andriy Zakutayev
High-throughput synthesis and characterization methods can significantly accelerate the rate of experimental research. For physical vapor deposition (PVD), these methods include combinatorial sputtering with intentional gradients of metal/metalloid composition, temperature, and thickness across the substrate. However, many other synthesis parameters still remain out of reach for combinatorial methods. Here, we extend combinatorial sputtering parameters to include gradients of gaseous elements in thin films...
June 7, 2018: ACS Combinatorial Science
https://www.readbyqxmd.com/read/29799714/constrained-combinatorial-libraries-of-gp2-proteins-enhance-discovery-of-pd-l1-binders
#10
Max A Kruziki, Vidur Sarma, Benjamin J Hackel
Engineered protein ligands are used for molecular therapy, diagnostics, and industrial biotechnology. The Gp2 domain is a 45-amino acid scaffold that has been evolved for specific, high-affinity binding to multiple targets by diversification of two solvent-exposed loops. Inspired by sitewise enrichment of select amino acids, including cysteine pairs, in earlier Gp2 discovery campaigns, we hypothesized that the breadth and efficiency of de novo Gp2 discovery will be aided by sitewise amino acid constraint within combinatorial library design...
June 5, 2018: ACS Combinatorial Science
https://www.readbyqxmd.com/read/29878748/high-throughput-synthesis-and-characterization-of-eu-doped-ba-x-sr-2-x-sio-4-thin-film-phosphors
#11
Sara Frost, Samuel Guérin, Brian E Hayden, Jean-Philippe Soulié, Chris Vian
High-throughput techniques have been employed for the synthesis and characterization of thin film phosphors of Eu-doped Ba x Sr2- x SiO4 . Direct synthesis from evaporation of the constituent elements under a flux of atomic oxygen on a sapphire substrate at 850 °C was used to directly produce thin film libraries (415 nm thickness) of the crystalline orthosilicate phase with the desired compositional variation (0.24 > x > 1.86). The orthosilicate phase could be synthesized as a pure, or predominantly pure, phase...
July 9, 2018: ACS Combinatorial Science
https://www.readbyqxmd.com/read/29874036/facile-one-pot-parallel-synthesis-of-3-amino-1-2-4-triazoles
#12
Andrey V Bogolyubsky, Olena Savych, Anton V Zhemera, Sergey E Pipko, Alexander V Grishchenko, Anzhelika I Konovets, Roman O Doroshchuk, Dmytro N Khomenko, Volodymyr S Brovarets, Yurii S Moroz, Mykhailo Vybornyi
A 1,2,4-triazole motif is present in numerous commercialized and investigational bioactive molecules. Despite its importance for medicinal chemistry, there is a lack of convenient combinatorial approaches toward this molecular core. Herein, we present a synthetic strategy suitable for the quick preparation of a library of structurally diverse 1,2,4-triazoles in a one-pot setting. The key steps include the formation of thioureas followed by S-alkylation using 1,3-propane sultone and consecutive ring closure leading to the desired 1,2,4-triazoles...
July 9, 2018: ACS Combinatorial Science
https://www.readbyqxmd.com/read/29863839/photolabile-linkers-for-solid-phase-synthesis
#13
Remi J T Mikkelsen, Katja E Grier, Kim T Mortensen, Thomas E Nielsen, Katrine Qvortrup
Photolabile linkers are the subjects of intense research because they allow the release of the target molecule simply by irradiation. Photochemical release of synthesis products is often facilitated without additional reagents under mild reaction conditions, which may even be environmentally friendly and appealing in the context of greener chemistry. The mild conditions also allow for applications of released material in subsequent biological screening experiments, where contamination with cleavage reagents would be detrimental...
July 9, 2018: ACS Combinatorial Science
https://www.readbyqxmd.com/read/29722521/protein-induced-fluorescence-enhancement-based-detection-of-plasmodium-falciparum-glutamate-dehydrogenase-using-carbon-dot-coupled-specific-aptamer
#14
Naveen Kumar Singh, Babina Chakma, Priyamvada Jain, Pranab Goswami
A novel 90-mer long ssDNA aptamer (NG3) covering a 40-mer random region targeting Plasmodium falciparum glutamate dehydrogenase ( PfGDH) developed through systematic evolution of ligands by exponential enrichment (SELEX) technique. The binding affinity of the aptamer to PfGDH discerned by circular dichroism (CD) was 0.5 ± 0.04 μM. The specificity of the aptamer toward the target was confirmed by gel electrophoresis and CD studies. The presence of two quadruplex forming regions, two big and four small stem loop structures with a δG of -7...
June 11, 2018: ACS Combinatorial Science
https://www.readbyqxmd.com/read/29719155/oxidative-modification-of-tryptophan-containing-peptides
#15
Jonas Petersen, Katrine E Christensen, Mathias T Nielsen, Kim T Mortensen, Vitaly V Komnatnyy, Thomas E Nielsen, Katrine Qvortrup
We herein present a broadly useful method for the chemoselective modification of a wide range of tryptophan-containing peptides. Exposing a tryptophan-containing peptide to 2,3-dichloro-5,6-dicyano-1,4-benzoquinone (DDQ) resulted in a selective cyclodehydration between the peptide backbone and the indole side chain of tryptophan to form a fully conjugated indolyl-oxazole moiety. The modified peptides show a characteristic and significant emission maximum at 425 nm, thus making the method a useful strategy for fluorescence labeling...
June 11, 2018: ACS Combinatorial Science
https://www.readbyqxmd.com/read/29718663/a-phenotypic-cell-binding-screen-identifies-a-novel-compound-targeting-triple-negative-breast-cancer
#16
Luxi Chen, Chao Long, Jonghae Youn, Jiyong Lee
We describe a "phenotypic cell-binding screen" by which therapeutic candidate targeting cancer cells of a particular phenotype can be isolated without knowledge of drug targets. Chemical library beads are incubated with cancer cells of the phenotype of interest in the presence of cancer cells lacking the phenotype of interest, and then the beads bound to only cancer cells of the phenotype of interest are selected as hits. We have applied this screening strategy in discovering a novel compound (LC129-8) targeting triple-negative breast cancer (TNBC)...
June 11, 2018: ACS Combinatorial Science
https://www.readbyqxmd.com/read/29718654/how-transparent-oxides-gain-some-color-discovery-of-a-cenio-3-reduced-bandgap-phase-as-an-absorber-for-photovoltaics
#17
Hannah-Noa Barad, David A Keller, Kevin J Rietwyk, Adam Ginsburg, Shay Tirosh, Simcha Meir, Assaf Y Anderson, Arie Zaban
In this work, we describe the formation of a reduced bandgap CeNiO3 phase, which, to our knowledge, has not been previously reported, and we show how it is utilized as an absorber layer in a photovoltaic cell. The CeNiO3 phase is prepared by a combinatorial materials science approach, where a library containing a continuous compositional spread of Ce x Ni1- x O y is formed by pulsed laser deposition (PLD); a method that has not been used in the past to form Ce-Ni-O materials. The library displays a reduced bandgap throughout, calculated to be 1...
June 11, 2018: ACS Combinatorial Science
https://www.readbyqxmd.com/read/29714998/polycyclic-sulfoximines-as-new-scaffolds-for-drug-discovery
#18
Mark L G Borst, Cécile M J Ouairy, Sander C Fokkema, Alessandro Cecchi, Jessica M C A Kerckhoffs, Vincent L de Boer, Peter J van den Boogaard, Rutger F Bus, Rijko Ebens, Rob van der Hulst, Joop Knol, Rob Libbers, Zhou M Lion, Bart W Settels, Ellen de Wever, Khaled A Attia, Piet-Jan Sinnema, Jesse M de Gooijer, Karen Harkema, Marieke Hazewinkel, Susan Snijder, Kees Pouwer
The design and synthesis of three novel polycyclic scaffolds containing sulfoximines are presented in this work, which exemplify that sulfoximines represent a real opportunity for the discovery of new drug candidates. Additionally, the structures present at least two points of diversification and contain a high level of sp3 -character, hence being very interesting 3D scaffolds. The compounds synthesized were added to the compound collection of the European Lead Factory.
June 11, 2018: ACS Combinatorial Science
https://www.readbyqxmd.com/read/29714475/current-parallel-solid-phase-synthesis-of-drug-like-oxadiazole-and-thiadiazole-derivatives-for-combinatorial-chemistry
#19
Aizhan Abdildinova, Young-Dae Gong
Solid-phase organic synthesis is a powerful tool in the synthesis of small organic molecules and building of libraries of compounds for drug discovery. Heterocyclic compounds are important components of the drug discovery field as well and serve as a core for hundreds of marketed drugs. In particular, oxadiazole and thiadiazole cores are compounds of great interest due to their comprehensive biological activities and structural features. Therefore, a plethora of oxadiazole and thiadiazole synthesis methodologies have been reported to date, including solution and solid-phase synthesis methodologies...
June 11, 2018: ACS Combinatorial Science
https://www.readbyqxmd.com/read/29689156/csf-catalyzed-transannulation-reaction-of-oxazolones-diastereoselective-synthesis-of-diversified-trans-n-6-oxo-1-4-5-6-tetrahydropyrimidin-5-yl-benzamides-with-arylidene-azlactones-and-amidines
#20
Golnaz Parhizkar, Ahmad Reza Khosropour, Iraj Mohammadpoor-Baltork, Elahehnaz Parhizkar, Hadi Amiri Rudbari
A versatile and straightforward synthetic strategy for the construction of new tetrasubstituted 1,3-diazinones is described. The procedure is based on CsF-catalyzed, microwave-assisted, ring transformation reaction of arylidene azlactones with amidines. Moreover, this technique provides diversified trans- N-(6-oxo-1,4,5,6-tetrahydropyrimidin-5-yl)benzamides with a good antimicrobial activity.
June 11, 2018: ACS Combinatorial Science
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