Modelling Approaches for Chiral Chromatography on Polysaccharide-based and Macrocyclic Antibiotic Chiral Selectors: a Review

2021 ◽  
pp. 338861
Author(s):  
Pieter De Gauquier ◽  
Kenno Vanommeslaeghe ◽  
Yvan Vander Heyden ◽  
Debby Mangelings
Keyword(s):  
Chiral Chromatography ◽  
Chiral Selectors ◽  
Macrocyclic Antibiotic ◽  
Modelling Approaches

Dynamic Modelling of Wind Farms: a Comparative Study Between Two Modelling Approaches

2003 ◽  
Vol 1 (01) ◽  
pp. 441-445
Author(s):  
I. Zubia ◽  
◽  
S.K. Salman ◽  
X. Ostolaza ◽  
G. Tapia ◽  
...  
Keyword(s):  
Comparative Study ◽  
Dynamic Modelling ◽  
Wind Farms ◽  
Modelling Approaches

Phosphino-Triazole Ligands for Palladium-Catalysed Cross-Coupling

2018 ◽  
Author(s):  
Yiming Zhao ◽  
Huy van Nguyen ◽  
Louise Male ◽  
Philip Craven ◽  
Benjamin R. Buckley ◽  
...  
Keyword(s):  
Drug Discovery ◽  
Cross Coupling ◽  
Product Formation ◽  
Coupling Reactions ◽  
Volume Determination ◽  
Online Tool ◽  
Triazole Derivatives ◽  
Cross Coupling Reactions ◽  
Modelling Approaches

<div>Twelve 1,5-disubtituted and fourteen 5-substituted 1,2,3-triazole derivatives bearing diaryl or dialkyl phosphines at the 5-position were synthesised and used as ligands for palladium-catalysed Suzuki-Miyaura cross-coupling reactions. Bulky substrates were tested, and lead-like product formation was demonstrated. The online tool SambVca 2.0 was used to assess steric parameters of ligands and preliminary buried volume determination using XRD obtained data in a small number of cases proved to be informative. Two modelling approaches were compared for the determination of</div><div>the buried volume of ligands where XRD data was not available. An approach with imposed steric restrictions was found to be superior in leading to buried volume determinations that closely correlate with observed reaction conversions. The online tool LLAMA was used to determine lead-likeness of potential Suzuki-Miyaura cross-coupling products, from which ten of the most lead-like were successfully synthesised. Thus, confirming these readily accessible triazole-containing phosphines as highly suitable ligands for reaction screening and optimisation in drug discovery campaigns.</div>

Principles and approaches for numerical modelling of sediment transport in sewers

1995 ◽  
Vol 31 (7) ◽  
pp. 107-115 ◽  
Author(s):  
Ole Mark ◽  
Cecilia Appelgren ◽  
Torben Larsen
Keyword(s):  
Mathematical Model ◽  
Sediment Transport ◽  
Numerical Modelling ◽  
Simple Application ◽  
Sewer Systems ◽  
Sediment Deposits ◽  
Model Mouse ◽  
Modelling Approaches

A study has been carried out with the objectives of describing the effect of sediment deposits on the hydraulic capacity of sewer systems and to investigate the sediment transport in sewer systems. A result of the study is a mathematical model MOUSE ST which describes sediment transport in sewers. This paper discusses the applicability and the limitations of various modelling approaches and sediment transport formulations in MOUSE ST. Further, the paper presents a simple application of MOUSE ST to the Rya catchment in Gothenburg, Sweden.

Convenient Synthesis of the Central 3,6-Di(2-thiazolyl)-2-(4-thiazolyl)pyridine Skeleton of a Macrocyclic Antibiotic, GE 2270 A

1998 ◽  
Vol 71 (8) ◽  
pp. 1863-1870 ◽  
Author(s):  
Kazuo Okumura ◽  
Hiroyuki Saito ◽  
Chung-gi Shin ◽  
Kazuyuki Umemura ◽  
Juji Yoshimura
Keyword(s):  
Macrocyclic Antibiotic ◽  
Convenient Synthesis

scholarly journals Daptomycin: A Novel Macrocyclic Antibiotic as a Chiral Selector in an Organic Polymer Monolithic Capillary for the Enantioselective Analysis of a Set of Pharmaceuticals

Molecules ◽  
2021 ◽  
Vol 26 (12) ◽  
pp. 3527
Author(s):  
Ali Fouad ◽  
Adel A. Marzouk ◽  
Montaser Sh. A. Shaykoon ◽  
Samy M. Ibrahim ◽  
Sobhy M. El-Adl ◽  
...  
Keyword(s):  
Glycidyl Methacrylate ◽  
Chiral Stationary Phase ◽  
Reversed Phase ◽  
Chiral Selector ◽  
Antifungal Drugs ◽  
Organic Polymer ◽  
Rp Hplc ◽  
Macrocyclic Antibiotic ◽  
Adrenergic Blockers ◽  
H1 Blockers

Daptomycin, a macrocyclic antibiotic, is here used as a new chiral selector in preparation of chiral stationary phase (CSP) in a recently prepared polymer monolithic capillary. The latter is prepared using the copolymerization of the monomers glycidyl methacrylate (GMA) and ethylene glycol dimethacrylate (EGDMA) in the presence of daptomycin in water. Under reversed phase conditions (RP), the prepared capillaries were tested for the enantioselective nanoliquid chromatographic separation of fifty of the racemic drugs of different pharmacological groups, such as adrenergic blockers, H1-blockers, NSAIDs, antifungal drugs, and others. Baseline separation was attained for many drugs under RP-HPLC. Daptomycin expands the horizon of chiral selectors in HPLC.

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