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The mechanism of actions on how artemisinins act as an anticancer drug involves oxidative stress, DNA damage and repair, and various types of cell deaths.Studies of glass transition under confinement frequently employ supported polymer thin films, which are known to exhibit different transition temperature T g close to and far from the interface. Various techniques can selectively probe interfaces, however, often at the expense of sample designs very specific to a single experiment. Here, we show how to translate results on confined thin film T g to a "nacre-mimetic" clay/polymer Bragg stack, where periodicity allows to limit and tune the number of polymer layers to either one or two. Exceptional lattice coherence multiplies signal manifold, allowing for interface studies with both standard T g and broadband dynamic measurements. For the monolayer, we not only observe a dramatic increase in T g (∼ 100 K) but also use X-ray photon correlation spectroscopy (XPCS) to probe platelet dynamics, originating from interfacial slowdown. This is confirmed from the bilayer, which comprises both "bulk-like" and clay/polymer interface contributions, as manifested in two distinct T g processes. Because the platelet dynamics of monolayers and bilayers are similar, while the segmental dynamics of the latter are found to be much faster, we conclude that XPCS is sensitive to the clay/polymer interface. Thus, large T g shifts can be engineered and studied once lattice spacing approaches interfacial layer dimensions.While the impact of compositional parameters such as block length and ionic content on the micellization of (polymeric) amphiphiles is widely investigated, the influence of monomer sequence has received far less attention until recently. Here, we report the synthesis of two sequence-controlled polyurethane ionomers (PUIs) prepared via a stepwise coupling-deprotection strategy, and compare their solution association in aqueous-organic mixtures. The two PUIs are highly similar in mass and overall composition, yet differ markedly in the sequence of building blocks. PUI-A2 comprises a polytetrahydrofuran (pTHF) block connected to an alternation of isophorone diamine (IPDA) and dimethylolpropionic acid (DMPA) units that together are also arranged in a blockwise manner. The result is a macromolecular structure with a comparatively hydrophobic tail (pTHF) and a hydrophilic headgroup, which structure is reminiscent of those of traditional surfactants, albeit much larger in size. PUI-S2 instead resembles a bolaamphiphcelles become less compact in structure, as (in most cases) PUIs are released and as micellar dimensions increase.This work presents the first investigation on the crystallization behavior of partially wet droplets in immiscible ternary blends. Poly(lactide), poly(ε-caprolactone), and poly(butylene succinate) (PLA, PCL, and PBS, respectively) were melt blended in a 10/45/45 weight ratio to produce a "partial wetting" morphology with droplets of the PLA minor phase located at the interface between the other two major components. The crystallization process of the higher melting PLA droplets was studied by polarized light optical microscopy, while the other components remain in the molten state. We found that neighboring partially wet droplets nucleate in close sequence. This is unexpected since partially wet droplets display points of three-phase contact and, hence, should not touch each other. Moreover, the onset of poly(lactide) crystallization is frequently observed at the interface with molten PCL or PBS, with a significant preference for the former polymer. The observed sequential droplet-to-droplet crystallization is attributed to the weak partial wetting behavior of the PCL/PLA/PBS ternary system. In fact, the contact between the interfacially confined droplets during crystallization due to their mobility can lead to a transition from a partial to a completely wet state, with the formation of thin continuous layers bridging larger partially wet droplets. This allows crystallization to spread sequentially between neighboring domains. Using a simple heterogeneous nucleation model, it is shown that the nucleation of PLA on either PCL or PBS melts is energetically feasible. This study establishes a clear relationship between the unique partial wetting morphology of ternary blends and the nucleation of the minor component, paving the way to the understanding and control of crystallization in multiphasic polymer blends for advanced applications.Fragment based drug discovery (FBDD) by the aid of different modelling techniques have been emerged as a key drug discovery tool in the area of pharmaceutical science and technology. The merits of employing these methods, in place of other conventional molecular modelling techniques, endorsed clear detection of the possible structural fragments present in diverse set of investigated compounds and can create alternate possibilities of lead optimization in drug discovery. In this work, two fragment identification tools namely SARpy and Laplacian-corrected Bayesian analysis were used for previous SARS-CoV PLpro and 3CLpro inhibitors. A robust and predictive SARpy based fragments identification was performed which have been validated further by Laplacian-corrected Bayesian model. These comprehensive approaches have advantages since fragments are straight forward to interpret. Moreover, distinguishing the key molecular features (with respect to ECFP_6 fingerprint) revealed good or bad influences for the SARS-CoV protease inhibitory activities. Furthermore, the identified fragments could be implemented in the medicinal chemistry endeavors of COVID-19 drug discovery.Since the first official case of COVID-19 was reported, many researchers around the world have spent their time trying to understand the dynamics of the virus by modeling and predicting the number of infected and deaths. The rapid spread and highly contagiousness motivate the necessity of monitoring cases in real-time, aiming to keep control of the epidemic. As pointed out by [3], some pitfalls like limited infrastructure, laboratory confirmation and logistical problems may cause reporting delay, leading to distortions of the real dynamics of the confirmed cases and deaths. selleckchem The aim of this study is to propose a suitable statistical methodology for modeling and forecasting daily deaths and reported cases of COVID-19, considering key features as overdispersion of data and correction of notification delay. Both, reporting delays and forecasting consider a Bayesian approach in which the daily deaths and the confirmed cases are modelled using the negative binomial (NB) distribution in order to accommodate the population heterogeneity.
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