Search results for "combinatorial"
showing 10 items of 1208 documents
New exact methods for the time-invariant berth allocation and quay crane assignment problem
2019
Abstract Efficient management of operations in seaport container terminals has become a critical issue, due to the increase in maritime traffic and the strong competition between ports. In this paper we focus on two seaside operational problems: the Berth Allocation Problem and the Quay Crane Assignment Problem, which are considered in an integrated way. For the continuous BACAP problem with time-invariant crane assignment we propose a new mixed integer linear model in which the vessels can be moored at any position on the quay, not requiring any quay discretization. The model is enhanced by adding several families of valid inequalities. The resulting model is able to solve instances with u…
The berth allocation problem in terminals with irregular layouts
2019
As international trade thrives, terminals attempt to obtain higher revenue while coping with an increased complexity with regard to terminal management operations. One of the most prevalent problems such terminals face is the Berth Allocation Problem (BAP), which concerns allocating vessels to a set of berths and time slots while simultaneously minimizing objectives such as total stay time or total assignment cost. Complex layouts of real terminals introduce spatial constraints which limit the mooring and departure of vessels. Although significant research has been conducted regarding the BAP, these real-world restrictions have not been taken into account in a general way. The present work …
Design of new sensitive α,β-unsaturated carbonyl 1,8-naphtalimide fluorescent probes for thiol bioimaging
2017
International audience; We report herein an efficient synthesis of news naphtalimide-based fluorescent derivatives functionalized with an a,(3-unsaturated carbonyl group. Probes were synthesized from reaction of an amino-naphtalimide precursor with maleic anhydride. Photophysical study of fluorescent probes and cells labelling were performed, and showed that the reactive derivatives exhibit rich turn on fluorescence properties in presence of different biological thiol (Glutathione and Cysteine) making these systems a very promising way for thiol bioimaging.
Interaction of Novel Metal Complexes with DNA: Synthetic and Structural Aspects
2009
Metal ions bind to nucleic acids at various positions. This binding can be modulated by using metal complexes with appropriate ligands. Novel mono- and especially dinuclear metal complexes could be a powerful tool to detect rare, but still physiologically relevant, forms of DNA, e.g. the left-handed Z-DNA. In this review, our recent research activities in this area of bioinorganic chemistry are summarized. A special emphasis is laid on the synthetic challenges that arose upon the synthesis of the polyamine ligands. Further, some rather unusual approaches to elucidate the solution structure of copper bound to guanosine monophosphate with the help of pulsed EPR techniques like ENDOR and HYSC…
Asymmetric synthesis of 3,3′-pyrrolidinyl-dispirooxindoles via a one-pot organocatalytic Mannich/deprotection/aza-Michael sequence
2016
Chemical communications 52, 2249-2252 (2016). doi:10.1039/C5CC10057G
PEG 400/Cerium Ammonium Nitrate Combined with Microwave-Assisted Synthesis for Rapid Access to Beta-Amino Ketones. An Easy-to-Use Protocol for Discov…
2018
Compound libraries are important requirement in target-based drug discovery. In the present work, a small focused compound library based on β-aminoketone scaffold has been prepared combining microwave-assisted organic synthesis (MAOS) with polymer-assisted solution phase synthesis (PASPS) and replacing reaction workup standard purification procedures with solid phase extraction (SPE). Specifically, the effects of solvent, such as dioxane, dimethylformamide (DMF), polyethylene glycol 400 (PEG 400), temperature, irradiation time, stoichiometric ratio of reagents, and catalysts (HCl, acetic acid, cerium ammonium nitrate (CAN)) were investigated to maximize both conversion and yield. The optimi…
Contributions to Close-Enough Arc Routing Problems
2021
A pesar de carecer de datos específicos, se estima que el sector del transporte representa aproximadamente el 64% del consumo mundial de combustible, el 27% del consumo total de energía y el 23% de las emisiones mundiales de dióxido de carbono (CO2) relacionadas con la energía. Además, se prevé que el impacto medioambiental del sector del transporte aumente de forma drástica en los próximos años debido al efecto de la globalización, que ha eliminado barreras haciendo posible la accesibilidad a todos los lugares, productos y servicios del mundo. Por ello, el transporte se sitúa como uno de los principales retos en materia de desarrollo, para impulsar la prosperidad y lograr así un entorno so…
ChemInform Abstract: High-Resolution Solid-State NMR Spectroscopy of Steroids and Their Derivatives
2013
Abstract: Steroids are an important class of organic compounds containing a vast array of biologically and physiologically essential molecules. Due to their availability, relatively straightforward derivatizability, and endogeneity, they are widely used in pharmacological applications. The investigation of molecular and physicochemical properties of active pharmaceutical ingredients (APIs) in the solid state is important, because these properties are directly related to their pharmacological activity. Several methods are available for this purpose. Solid-state NMR spectroscopy offers a nondestructive and flexible technique, providing both structural and dynamic information. It can be applie…
High-Resolution Solid-State NMR Spectroscopy of Steroids and Their Derivatives
2013
Abstract: Steroids are an important class of organic compounds containing a vast array of biologically and physiologically essential molecules. Due to their availability, relatively straightforward derivatizability, and endogeneity, they are widely used in pharmacological applications. The investigation of molecular and physicochemical properties of active pharmaceutical ingredients (APIs) in the solid state is important, because these properties are directly related to their pharmacological activity. Several methods are available for this purpose. Solid-state NMR spectroscopy offers a nondestructive and flexible technique, providing both structural and dynamic information. It can be applie…
The sustainable synthesis of levetiracetam by an enzymatic dynamic kinetic resolution and an ex-cell anodic oxidation
2021
Levetiracetam is an active pharmaceutical ingredient widely used to treat epilepsy. We describe a new synthesis of levetiracetam by a dynamic kinetic resolution and a ruthenium-catalysed ex-cell anodic oxidation. For the enzymatic resolution, we tailored a high throughput screening method to identify Comamonas testosteroni nitrile hydratase variants with high (S)-selectivity and activity. Racemic nitrile was applied in a fed-batch reaction and was hydrated to (S)-(pyrrolidine-1-yl)butaneamide. For the subsequent oxidation to levetiracetam, we developed a ligand-free ruthenium-catalysed method at a low catalyst loading. The oxidant was electrochemically generated in 86% yield. This route pro…