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Highly Potent, Stable, and Selective Dimeric Hetarylpropylguanidine-Type Histamine H2 Receptor Agonists
On the basis of the long-known prototypic pharmacophore 3-(1H-imidazol-4-yl)propylguanidine (SK&F...
A comparison of equilibrium and kinetic passive sampling for monitoring of aquatic organic contaminants in German rivers
The performances of an equilibrium and a kinetic passive sampler for monitoring a range of organic...
Neo-Chlorogenic Acid: Conformational and Molecular Analysis by Semi-Empirical Methods
This paper shows results regarding semiempiric results for neochlorogenic acid, from geometrical...
The flexible cytoplasmic loop 3 contributes to the substrate affinity of human monocarboxylate transporters
Human monocarboxylate transporters (hMCTs/SLC16As) mediate the transport of small molecular weight...
Enhancing glycan isomer separations with metal ions and positive and negative polarity ion mobility spectrometry-mass spectrometry analyses
Glycomics has become an increasingly important field of research since glycans play critical roles...
Tandem Mass Spectrometry and Ion Mobility Reveals Structural Insight into Eicosanoid Product Ion Formation
Ion mobility measurements of productions were used to characterize the collisional cross section...
In Silico HCT116 Human Colon Cancer Cell-Based Models En Route to the Discovery of Lead-Like Anticancer Drugs
To discover new inhibitors against the human colon carcinoma HCT116 cell line, two quantitative...
Bitter and sweet tasting molecules: It's complicated
“Bitter” and “sweet” are frequently framed in opposition, both functionally and metaphorically, in...
Metagenomic discovery of a novel transaminase for valorization of monoaromatic compounds
The profitability of next-generation biorefineries is acutely contingent on the discovery and...
A Computer-Driven Approach to Discover Natural Product Leads for Methicillin-Resistant Staphylococcus aureus Infection Therapy
The risk of methicillin-resistant Staphylococcus aureus (MRSA) infection is increasing in both the...
Screening of Pesticide and Biocide Patterns As Risk Drivers in Sediments of Major European River Mouths: Ubiquitous or River Basin-Specific Contamination?
Pesticides and biocides (PaB) are ubiquitously present in aquatic ecosystems due to their...
Site of metabolism prediction for oxidation reactions mediated by oxidoreductases based on chemical bond
MOTIVATION: The metabolites of exogenous and endogenous compounds play a pivotal role in the domain...