Search results for "combinatorial"
showing 10 items of 1208 documents
A Straightforward Electroactive π-Extended Tetrathiafulvalene (exTTF) Building Block
2012
The synthesis and X-ray structure of a new and readily available exTTF derivative (6) bearing a methyltriphenylphosphonium bromide moiety as a new building block for the construction of electroactive molecules is reported. The phosphonium salt 6, which was prepared in one step from 2-hydroxymethyl-exTTF as a stable yellow solid in 84 % yield, efficiently undergoes Wittig olefination reactions with a variety of aldehydes to predominantly form the E isomer. Electronic spectra and cyclic voltammetry of the novel compounds reveal the electronic communication between the electroactive units.
Synthesis of potentially anti-inflammatory IPL576,092-contignasterol and IPL576,092-manoalide hybrids
2004
The synthesis of two potentially anti-inflammatory steroidal hybrid compounds has been accomplished through a 16- and 17-step sequence, respectively, starting from commercially available androst-5-en-3β-ol-17-one. The synthetic strategies are based both on stereoselective side chains elaboration and high yielding functional group transformations.
Packing a trunk - Now with a twist!
2005
In an industry project with a German car manufacturer we are faced with the challenge of placing a maximum number of uniform rigid rectangular boxes in the interior of a car trunk. The problem is of practical importance due to a European industry norm which requires car manufacturers to state the trunk volume according to this measure. No really satisfactory automated solution for this problem has been known in the past. In spite of its NP hardness, combinatorial optimization techniques, which consider only grid-aligned placements, produce solutions which are very close to the one achievable by a human expert in several hours of tedious work. The remaining gap is mostly due to the constrain…
Combinatorial Optimization for Artificial Intelligence Enabled Mobile Network Automation
2021
This chapter discusses combinatorial optimization techniques for enabling intelligent automation in mobile networks. A number of discrete optimization problems pertinent to mobile network automation can be solved effectively using artificial intelligence based combinatorial optimization approaches such as heuristics and metaheuristics. Relevant use-cases include both initial parameter assignment during network roll-out, and continuous optimization of configuration management parameters during network operation and maintenance. We discuss mobile network automation use-cases and motivation for using different heuristics and metaheuristics in designing network optimization algorithms. To this …
Copper(II)–Thymine Coordination Polymer Nanoribbons as Potential Oligonucleotide Nanocarriers
2016
This is the peer reviewed version of the following article: Vegas, V. G., Lorca, R., Latorre, A., Hassanein, K., Gómez‐García, C. J., Castillo, O., ... & Amo‐Ochoa, P. (2017). Copper (II)–Thymine Coordination Polymer Nanoribbons as Potential Oligonucleotide Nanocarriers. Angewandte Chemie International Edition, 56(4), 987-991, which has been published in final form at https://doi.org/10.1002/anie.201609031. This article may be used for non-commercial purposes in accordance with Wiley Terms and Conditions for Use of Self-Archived Versions
Highly efficient temperature-dependent chiral separation with a nucleotide-based coordination polymer.
2018
We report a new chiral coordination polymer, prepared from the cytidine 5′-monophosphate (CMP) nucleotide, capable of separating efficiently (enantiomeric excess of ca. 100%) racemic mixtures of L- and D-Asp in a temperature-dependent manner. The crystal structure of the host–guest adsorbate, with the D-Asp guest molecules loaded within its channels, could be solved allowing a direct visualization of the chiral recognition process.
Bioactive pyrrole-based compounds with target selectivity
2020
The discovery of novel synthetic compounds with drug-like properties is an ongoing challenge in medicinal chemistry. Natural products have inspired the synthesis of compounds for pharmaceutical application, most of which are based on N-heterocyclic motifs. Among these, the pyrrole ring is one of the most explored heterocycles in drug discovery programs for several therapeutic areas, confirmed by the high number of pyrrole-based drugs reaching the market. In the present review, we focused on pyrrole and its hetero-fused derivatives with anticancer, antimicrobial, and antiviral activities, reported in the literature between 2015 and 2019, for which a specific target was identified, being resp…
ChemInform Abstract: Enantioselective Palladium-Catalyzed Oxidative β,β-Fluoroarylation of α,β-Unsaturated Carbonyl Derivatives.
2016
The site-selective palladium-catalyzed three-component coupling of deactivated alkenes, arylboronic acids, and N-fluorobenzenesulfonimide is disclosed herein. The developed methodology establishes a general, modular, and step-economical approach to the stereoselective β-fluorination of α,β-unsaturated systems.
Synthesis of Highly Fluorinated 2,2′-Biphenols and 2,2′-Bisanisoles
2010
Multiply fluorine-substituted iodo anisoles are efficiently coupled in an Ullmann-type reaction to provide the corresponding bisanisoles. The coupling is selective and even tolerates bromo moieties. Subsequent deprotection of hydroxy groups gives access to highly fluorinated biphenols.
Exploiting Palladium-Catalyzed Cross-Coupling for the Synthesis of 2-Aryl-Substituted 1-Aminocyclopropylphosphonates
2015
A series of 2-aryl-substituted 1-aminocyclopropylphosphonates containing an additional remote phosphonate group have been synthesized starting from readily accessible dimethyl (1 R *,2 R *)-2-(4-bromophenyl)-1-formamidocyclopropylphosphonate using cross-coupling methodology. Different types of palladium-catalyzed reactions for carbon–carbon and carbon–phosphorus bond formation were realized. In each case the optimum conditions were found to obtain the desired products in high yield in both small- and large-scale experiments.