One-Pot Parallel Synthesis of Unclosed CryptandsSearching for Selective Anion Receptors via Static Combinatorial Chemistry Techniques [PDF]
ACS Omega, 2020 We present the synthesis of 17 macrocyclic compounds having the structure of so-called unclosed cryptands, acting as anion receptors. These compounds possess amide functions playing the role of hydrogen-bond-donating systems. We have synthesized the presented compounds both by standard methods (using batch conditions) and by static combinatorial ...
Patryk Niedbała, Janusz Jurczak
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Modeling intercalation chemistry with multi-redox reactions by sparse lattice models in disordered rocksalt cathodes [PDF]
arXiv, 2023 Modern battery materials can contain many elements with substantial site disorder, and their configurational state has been shown to be critical for their performance. The intercalation voltage profile is a critical parameter to evaluate the performance of energy storage.
Peichen Zhong +4 more
arxiv +3 more sources
Novel Screening Technique: Integrated Combinatorial Green Chemistry & Life Cycle Analysis (CGC-LCA)
BioResources, 2013 The integration of combinatorial green chemistry (CGC), a more benign approach to combinatorial chemistry, with environmental life cycle assessment (LCA) methodologies as an improved process development methodology is discussed. It is expected that the CGC approach will require less labor and result in more globally optimized assay results, leading to ...
Richard A. Venditti +2 more
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PLoS Biology, 2004 Biological in vitro selection techniques, such as RNA aptamer methods and mRNA display, have proven to be powerful approaches for engineering molecules with novel functions.
David R Halpin, Pehr B Harbury
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Buchbesprechung: Analytical Techniques in Combinatorial Chemistry. Von Michael E. Swartz. [PDF]
Angewandte Chemie, 2001 Jörg W. Metzger
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Graph Reinforcement Learning for Combinatorial Optimization: A Survey and Unifying Perspective [PDF]
arXivGraphs are a natural representation for systems based on relations between connected entities. Combinatorial optimization problems, which arise when considering an objective function related to a process of interest on discrete structures, are often challenging due to the rapid growth of the solution space. The trial-and-error paradigm of Reinforcement
Victor-Alexandru Darvariu +2 more
arxiv +2 more sources
Molecular Modeling, Computational/ Combinatorial Chemistry, and Chemical Diversity: Methods and Techniques [PDF]
Chemical & Engineering News Archive, 1997 openaire +2 more sources
Old and Modern Antibiotic Structures with Potential for Today’s Infections
ADMET and DMPK, 2022 Due to the lack of new antibiotics with efficacy against the ESKAPE and other resistant microbes, coupled to the demise of major pharmaceutical company antibiotic discovery programs, due to a number of factors but mainly ROI calculations and the lack of ...
David Newman
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Combinatorial Design of Novel Multiprincipal Element Alloys Using Experimental Techniques
Advanced Engineering Materials, 2023 Multiprincipal element alloys (MPEAs) including high‐entropy alloys are in the focus of materials science since many MPEA compositions exhibit outstanding mechanical and physical properties.
J. Gubicza
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Combinatorial Reactive Sputtering with Auger Parameter Analysis Enables Synthesis of Wurtzite Zn2TaN3 [PDF]
Chemistry of Materials, 2023, 35, 17, 7069-7078, 2023 The discovery of new functional materials is one of the key challenges in materials science. Combinatorial high-throughput approaches using reactive sputtering are commonly employed to screen unexplored phase spaces. During reactive combinatorial deposition the process conditions are rarely optimized, which can lead to poor crystallinity of the thin ...
arxiv +1 more source