First-Principles Computational Screening of Perovskite Hydrides for Hydrogen Release.

abstract：:A build/couple/pair (B/C/P) strategy was employed to generate a library of 7936 stereochemically diverse 12-membered macrolactams. All 8 stereoisomers of a common linear amine precursor were elaborated to form the corresponding 8 stereoisomers of two regioisomeric macrocyclic scaffolds via head-to-tail cyclization. Su...

journal_title：ACS combinatorial science

authors： Fitzgerald ME,Mulrooney CA,Duvall JR,Wei J,Suh BC,Akella LB,Vrcic A,Marcaurelle LA

更新日期：2012-02-13 00:00:00

abstract：:An expedient and metal-free synthetic protocol for construction of substituted quinolines has been developed from anilines and phenylacetaldehydes using imidazolium cation-based ionic liquids as the reaction medium. Mechanistic analysis indicated that the reaction occurs through C-C and C-N bond formation to produce i...

journal_title：ACS combinatorial science

authors： Bharate JB,Bharate SB,Vishwakarma RA

更新日期：2014-11-10 00:00:00

abstract：:Ultrasound-assisted synthesis of benzimidazo[2,1-b]quinazolin-1(1H)-ones was achieved via piperidine-catalyzed three-component reaction of 2-aminobenzimidazoles, an aromatic aldehyde, and 1,3-dione in aqueous isopropanol. This mechanism was first suspected following our identification of unusual reaction intermediates...

journal_title：ACS combinatorial science

authors： Chen LH,Chung TW,Narhe BD,Sun CM

更新日期：2016-03-14 00:00:00

abstract：:A novel three-component, two-step, one-pot nucleophilic aromatic substitution (SNAr)-intramolecular cyclization-Suzuki coupling reaction was developed for the synthesis of benzo[h][1,6]naphthyridin-2(1H)-ones (Torins). On the basis of the new efficiently convergent synthetic route, a library of Torin analogs was synth...

journal_title：ACS combinatorial science

authors： Li H,Sun W,Huang X,Lu X,Patel PR,Kim M,Orr MJ,Fisher RM,Tanaka TQ,McKew JC,Simeonov A,Sanderson PE,Zheng W,Williamson KC,Huang W

更新日期：2017-12-11 00:00:00

abstract：:A sequential one-pot, two-step, three-component reaction for efficient synthesis of spiro-substituted 1,3-thiazine library has been developed. The syntheses were achieved by reacting cyanoacetamide with isothiocyanate derivatives to give rise to 2-cyano-3-mercaptoacrylamides, which are trapped in situ by various cyclo...

journal_title：ACS combinatorial science

authors： Zhuang QY,Wang X,Gao Y,Shi F,Jiang B,Tu SJ

更新日期：2011-01-10 00:00:00

abstract：:Applications of silica-ROMP reagents in a one-pot, sequential protocol have been developed for the synthesis of a variety of diverse benzoxathiazepine 1,1-dioxides. This protocol includes sulfonylation, intramolecular SNAr, alkylation with silica-supported oligomeric benzyl (Si-OBPn) and triazole (Si-OTPn) phosphates,...

journal_title：ACS combinatorial science

authors： Faisal S,Maity PK,Zang Q,Samarakoon TB,Sourk RL,Hanson PR

更新日期：2016-07-11 00:00:00

abstract：:An efficient discovery strategy by combining diversity-oriented synthesis and converging cellular screening is described. By a three-round screening process, we identified novel tricyclic pyrido[2,3-b][1,4]benzothiazepines showing potent inhibitory activity against paclitaxel-resistant cell line H460TaxR (EC50 < 1.0 μ...

journal_title：ACS combinatorial science

authors： Xiang J,Zhang Z,Mu Y,Xu X,Guo S,Liu Y,Russo DP,Zhu H,Yan B,Bai X

更新日期：2016-05-09 00:00:00

abstract：:We propose to minimize the sampling time for high-throughput measurements of powder X-ray diffraction (XRD) and X-ray absorption fine structure (XAFS) in synchrotron radiation. The conventional synchrotron radiation powder X-ray diffraction method requires filling of a capillary tube, but a structure-refining diffract...

journal_title：ACS combinatorial science

authors： Fujimoto K,Aimi A,Maruyama S

更新日期：2020-12-14 00:00:00

abstract：:Dispiro-pyrrolidino/pyrrolizidino fused oxindoles/acenaphthoquinones have been derived from andrographolide via azomethine ylide cycloaddition to the conjugated double-bond under microwave (MW) irradiation. The reactions are chemo-, stereo-, and regioselective in nature. Change in amino acid from sarcosine/N-benzyl gl...

journal_title：ACS combinatorial science

authors： Hazra A,Bharitkar YP,Chakraborty D,Mondal SK,Singal N,Mondal S,Maity A,Paira R,Banerjee S,Mondal NB

更新日期：2013-01-14 00:00:00

abstract：:We have implemented an aldol-based "build/couple/pair" (B/C/P) strategy for the synthesis of stereochemically diverse 8-membered lactam and sultam scaffolds via S(N)Ar cycloetherification. Each scaffold contains two handles, an amine and aryl bromide, for solid-phase diversification via N-capping and Pd-mediated cross...

journal_title：ACS combinatorial science

authors： Gerard B,Duvall JR,Lowe JT,Murillo T,Wei J,Akella LB,Marcaurelle LA

更新日期：2011-07-11 00:00:00

abstract：:The extracellular-related kinase 5 (ERK5) is a promising target for cancer therapy. A high-throughput screen was developed for ERK5, based on the IMAP FP progressive binding system, and used to identify hits from a library of 57 617 compounds. Four distinct chemical series were evident within the screening hits. Resyn...

journal_title：ACS combinatorial science

authors： Myers SM,Bawn RH,Bisset LC,Blackburn TJ,Cottyn B,Molyneux L,Wong AC,Cano C,Clegg W,Harrington RW,Leung H,Rigoreau L,Vidot S,Golding BT,Griffin RJ,Hammonds T,Newell DR,Hardcastle IR

更新日期：2016-08-08 00:00:00

abstract：:Polymer-supported N-(2-oxo-ethyl)-derivatized Ser/Thr/Cys-containing dipeptides were synthesized and subjected to acid-mediated tandem N-acylium ion cyclization-nucleophilic addition to yield tetrahydro-2H-oxazolo[3,2-a]pyrazin-5(3H)-ones. The reaction conditions and building-block combinations for stereoselective syn...

journal_title：ACS combinatorial science

authors： La Venia A,Dolenský B,Krchňák V

更新日期：2013-03-11 00:00:00

abstract：:A sequential single-flask multicomponent reactions is highly effective for the synthesis of 1,2-dihydroisoquinolines through amidealkylation from intermediate N-acylisoquinolinium salts under mild conditions. N-Acylisoquinolinium ions and trichloromethyl-1-(1H-indol-3-yl)isoquinoline-2(1H)-carboxylate have demonstrate...

journal_title：ACS combinatorial science

authors： Chung TW,Hung YT,Thikekar T,Paike VV,Lo FY,Tsai PH,Liang MC,Sun CM

更新日期：2015-08-10 00:00:00

abstract：:Individually, benzoxazole and triazole moieties are of significant biological interest owing to their importance in drugs and pharmaceuticals. To assess their combined biological impact when woven into one molecule, we designed a novel, regioselective, multicomponent, one-pot (MCOP) approach for the construction of be...

journal_title：ACS combinatorial science

authors： Srivastava A,Aggarwal L,Jain N

更新日期：2015-01-12 00:00:00

abstract：:High-throughput experimentation provides efficient mapping of composition-property relationships, and its implementation for the discovery of optical materials enables advancements in solar energy and other technologies. In a high throughput pipeline, automated data processing algorithms are often required to match ex...

journal_title：ACS combinatorial science

authors： Suram SK,Newhouse PF,Gregoire JM

更新日期：2016-11-14 00:00:00

abstract：:DNA-encoded synthesis is rekindling interest in combinatorial compound libraries for drug discovery and in technology for automated and quantitative library screening. Here, we disclose a microfluidic circuit that enables functional screens of DNA-encoded compound beads. The device carries out library bead distributio...

journal_title：ACS combinatorial science

authors： MacConnell AB,Price AK,Paegel BM

更新日期：2017-03-13 00:00:00

abstract：:When isolating binders from yeast displayed combinatorial libraries, a soluble, recombinantly expressed form of the target protein is typically utilized. As an alternative, we describe the use of target proteins displayed as surface fusions on magnetized yeast cells. In our strategy, the target protein is coexpressed ...

journal_title：ACS combinatorial science

authors： Bacon K,Burroughs M,Blain A,Menegatti S,Rao BM

更新日期：2019-12-09 00:00:00

abstract：:A set of chemically engineered extracts enriched in compounds including N-N and N-O fragments in their structures was prepared. Bromodomain binding screening and bioguided fractionation led to the identification of one oxime hit that interacts with TcBDF3 with affinity in the submicromolar range and that shows interes...

journal_title：ACS combinatorial science

authors： Ramallo IA,Alonso VL,Rua F,Serra E,Furlan RLE

更新日期：2018-04-09 00:00:00

abstract：:A Fe-Co-Nb thin film materials library was deposited by combinatorial magnetron sputtering and investigated by high-throughput methods to identify new noncubic ferromagnetic phases, indicating that combinatorial experimentation is an efficient method to discover new ferromagnetic phases adequate for permanent magnet a...

journal_title：ACS combinatorial science

authors： Alexandrakis V,Wallisch W,Hamann S,Varvaro G,Fidler J,Ludwig A

更新日期：2015-11-09 00:00:00

abstract：:Fourteen (hetero-)(arylidene)arylhydrazide derivatives (ABH1-ABH14) were synthesized, and their inhibitory activities against monoamine oxidases (MAOs) and acetylcholinesterase (AChE) were evaluated. Compound ABH5 most potently inhibited MAO-B with an IC50 value of 0.025 ± 0.0019 μM; ABH2 and ABH3 exhibited high IC50 ...

journal_title：ACS combinatorial science

authors： Palakkathondi A,Oh JM,Dev S,Rangarajan TM,Kaipakasseri S,Kavully FS,Gambacorta N,Nicolotti O,Kim H,Mathew B

更新日期：2020-11-09 00:00:00

abstract：:Under the acidic conditions, substituted furans were constructed from γ-alkynyl ketones through corresponding allene intermediates in one-pot. The methodology was also tailored to a series of the Ugi reaction products for the synthesis of 6-methylpyrazin-2(1 H)-one derivatives. The current method offered significant a...

journal_title：ACS combinatorial science

authors： Lei J,Xu ZG,Tang DY,Li Y,Xu J,Li HY,Zhu J,Chen ZZ

更新日期：2018-05-14 00:00:00

abstract：:A three-component reaction of a 2-aminoazine, a 2-oxoaldehyde, and a cyclic 1,3-dicarbonyl compound providing access toward a novel class of imidazo[1,2-a]azine derivatives was developed and studied. The scope of the process was thoroughly explored under three different reaction conditions resulting in the generation ...

journal_title：ACS combinatorial science

authors： Peshkov VA,Peshkov AA,Pereshivko OP,Van Hecke K,Zamigaylo LL,Van der Eycken EV,Gorobets NY

更新日期：2014-10-13 00:00:00

abstract：:The development of a scanning reactor for planar catalysts is presented here. With respect to other existing models, this reactor is able to scan catalysts even with low turnover frequencies with a minimum sensed circular area of approximately 6 mm in diameter. The downstream gas analysis is performed with a quaprupol...

journal_title：ACS combinatorial science

authors： Marelli M,Nemenyi A,Dal Santo V,Psaro R,Ostinelli L,Monticelli D,Dossi C,Recchia S

更新日期：2016-01-11 00:00:00

abstract：:This work presents the first use of yeast-displayed protein targets for screening mRNA-display libraries of cyclic and linear peptides. The WW domains of Yes-Associated Protein 1 (WW-YAP) and mitochondrial import receptor subunit TOM22 were adopted as protein targets. Yeast cells displaying WW-YAP or TOM22 were magnet...

journal_title：ACS combinatorial science

authors： Bacon K,Bowen J,Reese H,Rao BM,Menegatti S

更新日期：2020-12-14 00:00:00

abstract：:A microgradient-heater (MGH) was developed, and its feasibility as a tool for high-throughput materials science experimentation was tested. The MGH is derived from microhot plate (MHP) systems and allows combinatorial thermal processing on the micronano scale. The temperature gradient is adjustable by the substrate ma...

journal_title：ACS combinatorial science

authors： Meyer R,Hamann S,Ehmann M,Thienhaus S,Jaeger S,Thiede T,Devi A,Fischer RA,Ludwig A

更新日期：2012-10-08 00:00:00

abstract：:In this research, MgAl-CO32- nanolayered double hydroxide (NLDH) was synthesized through a facile coprecipitation method, followed by a hydrothermal treatment. The prepared NLDHs were used as a hydrophilic nanofiller for improving the performance of the PVDF-based ultrafiltration membranes. The main objective of this ...

journal_title：ACS combinatorial science

authors： Arefi-Oskoui S,Khataee A,Vatanpour V

更新日期：2017-07-10 00:00:00

abstract：:The thin film system Ti-Ni-Si was investigated using methods of combinatorial materials science. A thin film composition spread library of the system was fabricated using combinatorial magnetron sputtering. The functional properties Seebeck coefficient, electrical resistivity, and luminance were determined using high-...

journal_title：ACS combinatorial science

authors： Wambach M,Ziolkowski P,Müller E,Ludwig A

更新日期：2019-05-13 00:00:00

abstract：:An efficient and straightforward synthetic protocol has been developed for the diversity-oriented synthesis of highly functionalized piperidines containing a Meldrum's acid moiety via pseudo five-component reaction between aromatic aldehydes, ammonium acetate, substituted β-nitrostyrenes and Meldrum's acid for the gen...

journal_title：ACS combinatorial science

authors： Li Y,Xue Z,Ye W,Liu J,Yao J,Wang C

更新日期：2014-03-10 00:00:00

abstract：:A novel immobilized N-chlorosuccinimide resin was developed for peptide disulfide bond formation in combinatorial libraries. The resin is prepared in a simple two-step process from commercial starting materials. Disulfide formation is initiated by adding a peptide solution to the resin, and excess reagent is removed b...

journal_title：ACS combinatorial science

authors： Postma TM,Albericio F

更新日期：2014-04-14 00:00:00

abstract：:The diversity oriented synthesis of substituted pyridines and dihydro-6H-quinolin-5-ones tethered with aryls and heteroaryls was achieved in very good yields through CeCl(3)·7H(2)O-NaI catalyst via variants of the Bohlmann-Rahtz reaction. β-Enaminones derived from various aryl and heteroaryl methyl ketones were regios...

journal_title：ACS combinatorial science

authors： Kantevari S,Patpi SR,Addla D,Putapatri SR,Sridhar B,Yogeeswari P,Sriram D

更新日期：2011-07-11 00:00:00