Applied Science Private University

About: Applied Science Private University is a education organization based out in Amman, Jordan. It is known for research contribution in the topics: Catalysis & Population. The organization has 4124 authors who have published 5299 publications receiving 116167 citations.

Docking-Based Comparative Intermolecular Contacts Analysis as New 3-D QSAR Concept for Validating Docking Studies and in Silico Screening: NMT and GP Inhibitors as Case Studies

Abstract: The significant role played by docking algorithms in drug discovery combined with their serious pitfalls prompted us to envisage a novel concept for validating docking solutions, namely, docking-based comparative intermolecular contacts analysis (dbCICA). This novel approach is based on the number and quality of contacts between docked ligands and amino acid residues within the binding pocket. It assesses a particular docking configuration on the basis of its ability to align a set of ligands within a corresponding binding pocket in such a way that potent ligands come into contact with binding site spots distinct from those approached by low-affinity ligands and vice versa. In other words, dbCICA evaluates the consistency of docking by assessing the correlation between ligands’ affinities and their contacts with binding site spots. Optimal dbCICA models can be translated into valid pharmacophore models that can be used as 3-D search queries to mine structural databases for new bioactive compounds. dbCICA ...

Bulk mixed Mo–V–Te–O catalysts for propane oxidation to acrylic acid

Abstract: The model Mo–V–Te–O catalysts containing the orthorhombic (M1) and hexagonal (M2) phases with well-defined crystal morphologies and promising for the selective oxidation of propane to oxygenates were obtained hydrothermally over a wide range of synthesis compositions (Mo 0.70–0.30 V 0.60–0.20 Te 0.15–0.05 ). The bulk (ICP), local (EDS) elemental and structural (XRD) analyses of this compositionally simple model system indicated that the M1 phase with the bulk Mo/V ratio of ∼2 was dominant in the Mo–V–Te–O catalysts. This phase has been proposed as active and selective for propane oxidation to oxygenates and ammoxidation to acrylonitrile. The model catalysts displayed high selectivity to acrylic acid in the presence of water vapor in the feed, which is believed to enhance the apparent rates of formation of oxygenates as well as maintain the catalytic surface in a partially reduced oxidation state. The selectivity to acrylic acid over these model catalysts correlated with the extent of exposure of the surface ab planes of the M1 phase proposed to contain the active and selective surface sites. Therefore, the Mo–V–Te–O catalysts represent a well-defined and highly promising model system for elucidating the surface molecular structure–activity/selectivity relationships in propane oxidation to acrylic acid over multicomponent Mo–V–Te–Nb–O catalysts.

Checklists for Powder Inhaler Technique: A Review and Recommendations

Abstract: Turbuhaler and Diskus are commonly used powder inhaler devices for patients with respiratory disease. Their effectiveness is limited in part by a patient's ability to use them correctly. This has led to numerous studies being conducted over the last decade to assess the correct use of these devices by patients and health care professionals. These studies have generally used device-specific checklists to assess technique, this being the most feasible and accessible method for assessment. However, divergence between the checklists and scoring systems for the same device in different studies makes direct comparison of results difficult and at times inappropriate. Little evidence is available to assess the relative importance of different criteria; however, brief patient training based on specific inhaler technique checklists leads to significant improvement in asthma outcomes. This paper reviews common checklists and scoring systems used for Turbuhaler and Diskus, discusses the problem of heterogeneity between different checklists, and finally recommends suitable checklists and scoring systems for these devices based on the literature and previous findings. Only when similar checklists are used across different research studies will accurate comparisons and meta-analysis be possible.