Quantitative Derivation of the Gross‐Pitaevskii Equation

Starting from first‐principle many‐body quantum dynamics, we show that the dynamics of Bose‐Einstein condensates can be approximated by the time‐dependent nonlinear Gross‐Pitaevskii equation, giving a bound on the rate of the convergence. Initial data are constructed on the bosonic Fock space applying an appropriate Bogoliubov transformation on a coherent state with expected number of particles N. The Bogoliubov transformation plays a crucial role; it produces the correct microscopic correlations among the particles. Our analysis shows that, on the level of the one‐particle reduced density, the form of the initial data is preserved by the many‐body evolution, up to a small error that vanishes as N^?1/2 in the limit of large N.© 2015 Wiley Periodicals, Inc.     

On the Propagation of Regularity and Decay of Solutions to the k-Generalized Korteweg-de Vries Equation

We study special regularity and decay properties of solutions to the IVP associated to the k-generalized KdV equations. In particular, for datum u ₀ ∈ H ^3/4+ (?) whose restriction belongs to H ^l ((b, ∞)) for some l ∈ ?⁺ and b ∈ ? we prove that the restriction of the corresponding solution u(·, t) belongs to H ^l ((β, ∞)) for any β ∈ ? and any t ∈ (0, T). Thus, this type of regularity propagates with infinite speed to its left as time evolves.     

Current Status of COVID-19 (Pre)Clinical Vaccine Development

The current COVID-19 pandemic has a tremendous impact on daily life world-wide. Despite the ability to dampen the spread of SARS-CoV-2, the causative agent of the diseases, through restrictive interventions, it is believed that only effective vaccines will provide sufficient control over the disease and revert societal live back to normal. At present, a double-digit number of efforts are devoted to the development of a vaccine against COVID-19. Here, we provide an overview of these (pre)clinical efforts and provide background information on the technologies behind these vaccines. In addition, we discuss potential hurdles that need to be addressed prior to mass scale clinical translation of successful vaccine candidates.     

Tuning Aqueous Supramolecular Polymerization by an Acid-Responsive Conformational Switch

Besides their widespread use in coordination chemistry, 2,2’-bipyridines are known for their ability to undergo cis–trans conformational changes in response to metal ions and acids, which has been primarily investigated at the molecular level. However, the exploitation of such conformational switching in self-assembly has remained unexplored. In this work, the use of 2,2’-bipyridines as acid-responsive conformational switches to tune supramolecular polymerization processes has been demonstrated. To achieve this goal, we have designed a bipyridine-based linear bolaamphiphile, 1 , that forms ordered supramolecular polymers in aqueous media through cooperative aromatic and hydrophobic interactions. Interestingly, addition of acid (TFA) induces the monoprotonation of the 2,2’-bipyridine moiety, leading to a switch in the molecular conformation from a linear (trans) to a V-shaped (cis) state. This increase in molecular distortion along with electrostatic repulsions of the positively charged bipyridine-H⁺ units attenuate the aggregation tendency and induce a transformation from long fibers to shorter thinner fibers. Our findings may contribute to opening up new directions in molecular switches and stimuli-responsive supramolecular materials.     

Impact of Positional Isomerism on Pathway Complexity in Aqueous Media

Pathway complexity has become an important topic in recent years due to its relevance in the optimization of molecular assembly processes, which typically require precise sample preparation protocols. Alternatively, competing aggregation pathways can be controlled by molecular design, which primarily rely on geometrical changes of the building blocks. However, understanding how to control pathway complexity by molecular design remains elusive and new approaches are needed. Herein, we exploit positional isomerism as a new molecular design strategy for pathway control in aqueous self‐assembly. We compare the self‐assembly of two carboxyl‐functionalized amphiphilic BODIPY dyes that solely differ in the relative position of functional groups. Placement of the carboxyl group at the 2‐position enables efficient pairwise H‐bonding interactions into a single thermodynamic species, whereas meso‐substitution induces pathway complexity due to competing hydrophobic and hydrogen bonding interactions. Our results show the importance of positional engineering for pathway control in aqueous self‐assembly.     

Classical and metallocene catalytic systems: Comparison between the stereochemical mechanisms of α-olefin polymerization

Classical Ziegler-Natta and Kaminsky-Ewen catalysts promoting polymerization of hydrocarbon monomers are compared considering the reactivity and the stereochemical mechanisms of polymerization. It is suggested that also the “active sites” of heterogeneous catalysts could be cationic.     

Mechanism of syndiotactic-specific polymerization of styrene

Perusal of literature data and some new results concerning syndiotactic-specific polymerization of styrene suggest a reaction mechanism accounting for the steric control. Key features of the proposed mechanism are stereorigid ηⁿ coordination of the growing chain end and diastereoselective coordination of the monomer imposed by direct interactions with the ancillary ligand of the metal complex, a pseudotetrahedral chiral Ti(III) or Zr(III) cation, which inverts its configuration after every syndiospecific insertion step.     

Polyphenolic Composition and Antioxidant Activity (ORAC,EPR and Cellular) of Different Extracts of Argylia radiata Vitroplants and Natural Roots

Plant biochemistry studies have increased in recent years due to their potential to improve human health. Argylia radiata is an extremophile plant with an interesting polyphenolic profile. However, its biomass is scarce and occasionally available. Argylia in vitro biomass was obtained from tissue culture and compared with in vivo roots regarding its polyphenolic and flavonoid content. Different solvents were used to prepare extracts from the in vitro tissue of callus and aerial plant organs and in vivo roots. UPLC-MS/MS was used to assess the chemical composition of each extract. ORAC-FL and scavenging of free radicals (DPPH and OH) methods were used to determine the antioxidant capacity of extracts. Furthermore, the biological activity of the extracts was established using the cellular antioxidant activity method. The vitroplants were a good source of polyphenols (25–68 mg GAE/100 g tissue FW), and methanol was the most efficient solvent. Eight polyphenolic compounds were identified, and their antioxidant properties were investigated by different chemical methods with EPR demonstrating its specific scavenging activity against free radicals. All extracts showed cellular dose-dependent antioxidant activity. The methanolic extract of vitroplants showed the highest cellular antioxidant activity (44.6% and 51%) at 1 and 10 µg/mL of extract, respectively. Vitroplants of A. radiata are proposed as a biotechnological product as a source of antioxidant compounds with multiple applications.