| 1. |
- Wodrich, Matthew D., et al.
(author)
-
Expedited Screening of Active and Regioselective Catalysts for the Hydroformylation Reaction
- 2018
-
In: Helvetica Chimica Acta. - : Wiley. - 1522-2675 .- 0018-019X. ; 101:9
-
Journal article (peer-reviewed)abstract
- The discovery of new homogeneous catalysts that preferentially form one product over another in regio- or enantioselective chemical reactions has traditionally been the province of experimental chemists. Today, computational-based approaches have carved an increasingly important role, which, for computational catalytic designs, often rely on highly inefficient combinatorial-based screening methods. To increase the pace of discovery, tools capable of rapidly assessing large numbers of prospective species and identify those possessing desirable properties, such as activity and selectivity, are vital. Here, through the examination of the hydroformylation of 2-methylpropene, we demonstrate how a new tool built upon molecular volcano plots can be used to quickly predict the activity of molecular catalysts as well as estimate the intrinsic ability of each species to form one regioisomer over the other with striking accuracy. Following training and validation, these regioselective molecular volcanoes are employed to predict catalysts that preferentially form the branched product (2,2-dimethylpropanal) in violation of Keulemans’ 70-year-old law. Eighteen species (out of a total of 68 predicted) were computationally predicted to have regiomeric excess (r.e.) values > 90. Overall, these tools can be used to quickly screen the activity and selectivity of potential catalysis based on two easily computed descriptor variables.
|
|
| 2. |
- Morales, Javier O., et al.
(author)
-
Lipid nanoparticles for the topical delivery of retinoids and derivatives
- 2015
-
In: Nanomedicine. - : Future Medicine Ltd. - 1743-5889 .- 1748-6963. ; 10:2, s. 253-269
-
Journal article (peer-reviewed)abstract
- Retinoids are lipophilic compounds that are highly used in cosmetics/therapeutics for skin disorders. Conventional formulations are limited by poor water solubility, high chemical/photochemical instability and the irritation of retinoids. Interestingly, lipid nanoparticles enable the administration of retinoids in aqueous media, providing drug stabilization and controlled release. Recently, it has been demonstrated that retinoids in solid lipid nanoparticles, nanostructured lipid carriers, nanoemulsions and nanocapsules can decrease degradation, improve targeting and enhance efficacy for the treatment of skin disorders. This article focuses on the formulation, fabrication, characterization and in vitro/in vivo evaluation of solid lipid nanoparticles, nanostructured lipid carriers, nanoemulsions and nanocapsules loaded with retinoids for skin administration. Furthermore, the incorporation of these lipid nanoparticles into secondary vehicles is discussed.
|
|
| 3. |
- Morales, Javier O., et al.
(author)
-
Novel Nanostructured Polymeric Carriers to Enable Drug Delivery for Cardiovascular Diseases
- 2015
-
In: Current pharmaceutical design. - : Bentham Science Publishers Ltd.. - 1381-6128 .- 1873-4286. ; 21:29, s. 4276-4284
-
Journal article (peer-reviewed)abstract
- Applications of polymeric nanotechnologies for enabling therapies for cardiovascular diseases have shown recent success. Both intravenous and oral administration have been investigated and achieved different degrees of development. While circulating polymeric nanostructured carriers are subjected to a number of interactions, smart nanoparticle design has enabled the formulation of active molecules to be delivered to specific targets for cardiovascular effects. This review aims at outlining the multiple factors that can affect the fate of polymeric nanostructured carriers in systemic circulation. With an understanding of these factors, the literature on the various polymeric nanostructured carriers is reviewed. Finally, the emerging uses of nanotechnology to formulate orally administered drugs for cardiovascular diseases are depicted.
|
|
| 4. |
- Persson, Ann-Sofie, et al.
(author)
-
Powder Compression Properties of Paracetamol, Paracetamol Hydrochloride, and Paracetamol Cocrystals and Coformers
- 2018
-
In: Journal of Pharmaceutical Sciences. - : ELSEVIER SCIENCE INC. - 0022-3549 .- 1520-6017. ; 107:7, s. 1920-1927
-
Journal article (peer-reviewed)abstract
- The objectivewas to study the relationship between crystal structure, particle deformation properties, and tablet-forming ability for the monoclinic formof paracetamol (PRA), 2 cocrystals and a salt crystal of PRA in addition to 2 coformers (oxalic acid and 4,4'-bipyridine). Thus, the structure-property-performance relationship was investigated. Analytical powder compression was used for determination of effective plasticity, as inferred from the Heckel yield pressure and the Frenning parameter, and the elastic deformation was determined from in-die tablet elastic recovery. The plasticity could not be linked to the crystal lattice structure as crystals containing zig-zag layers displayed similar plasticity as crystals containing slip planes. In addition, crystals containing slip planes displayed both high and low plasticity. The mechanical properties could not be linked to the tablet-forming ability as the tablet tensile strength, unexpectedly, displayed a tendency to reduce with increased plasticity. Furthermore, the elastic deformation could not explain the tablet-forming ability. It was concluded that no relationship between structure-property-performance for PRA and its cocrystals and salt could be established. Thus, it was indicated that to establish such a relationship, an improved knowledge of crystallographic structure and interparticle bonding during compaction is needed.
|
|
| 5. |
- Oyarzun-Ampuero, Felipe, et al.
(author)
-
Nanoparticles for the Treatment of Wounds
- 2015
-
In: Current pharmaceutical design. - : Bentham Science Publishers. - 1381-6128 .- 1873-4286. ; 21:29, s. 4329-4341
-
Journal article (peer-reviewed)
|
|
| 6. |
|
|
