The QCD spin chain S matrix

Beisert et al. have identified an integrable SU(2,2)$\mathit{SU}(2,2)$ quantum spin chain which gives the one-loop anomalous dimensions of certain operators in large Nc$N_c$ QCD. We derive a set of nonlinear integral equations (NLIEs) for this model, and compute the scattering matrix of the various (in particular, magnon) excitations.     

The Influence of Propolis on Dental Plaque Reduction and the Correlation between Dental Plaque and Severity of COVID-19 Complications—A Literature Review

Current studies suggest that cariogenic bacteria in dental plaque influence the severity of COVID-19 complications since the oral cavity is a reservoir for respiratory pathogens potentially responsible for the development of hospital-acquired pneumonia. This article focuses on the association between dental plaque and COVID-19 concerning the influence of altered oral biofilm on the risk of increased severity of SARS-CoV-2 infection. Moreover, it concentrates on the usefulness of propolis, with its apitherapeutic antibacterial properties, for treating oral bacterial infections co-occurring with SARS-CoV-2 infection. A review of the literature on PubMed, Cochrane Library and Medline between 2000 and 2021 revealed 56 published articles indicating that a link between dental plaque and COVID-19 complications was probable. Furthermore, they indicated that propolis may minimize COVID-19 severity by reducing dental plaque accumulation. The possibility that improved oral health could reduce the risk of COVID-19 complications should be of interest to scientists.     

On the importance of thermo-elastic cooling in the fracture of glassy polymers at high rates

In a previous thermo-mechanical analysis [Estevez, R., Basu, S., van der Giessen, E., 2005. Analysis of temperature effects near mode I cracks in glassy polymers. Int. J. Fract. 132, 249–273] in which shear yielding of the bulk and failure by crazing were accounted for, we examined which of these two viscoplastic processes contributed to heat in mode I fracture. The present study completes this work by investigating the conditions for thermo-elastic cooling prior to crack propagation as reported experimentally by Rittel [Rittel, D., 1998. Experimental investigation of transient thermo-elastic effects in dynamic fracture. Int. J. Solids Struct. 35, 2959–2973] and Bougaut and Rittel [Bougaut, O., Rittel, D., 2001. On crack tip cooling during dynamic crack propagation. Int. J. Solids Struct. 38, 2517–2532] on high strain rate loading of PMMA. To this end, coupled thermo-mechanical finite element simulations are carried out by accounting for the thermo-elastic source, in addition to the heat sources related to shear yielding and crazing. The bulk as well as cohesive zone parameters for crazing realistically describe PMMA as they are obtained from detailed calibration experiments. Our results show that if significant thermo-elastic cooling has to be observed in the vicinity of the crack tip of a polymeric material, suppression of shear yielding as well as suppression of crazing is necessary. It seems that at these high strain rates a brittle fracture mechanism activated at very high stresses takes over from crazing, or at least that craze initiation occurs for stress levels very different to those for quasi-static conditions.     

Bioactive Compounds of Opuntia spp. Acid Fruits: Micro and Nano-Emulsified Extracts and Applications in Nutraceutical Foods

The acid fruit of the "xoconostle" cactus belongs to the genus Opuntia family of cacti. It is used as a functional food for its bioactive compounds. Several studies reported that xoconostle fruits have a high amount of ascorbic acid, betalains, phenols, tannins, and flavonoids. These compounds confer antioxidant, antibacterial, anti-inflammatory, and hepatoprotective gastroprotective activity. Xoconostle fruit extracts were tested by in vitro assays where the digestion conditions were simulated to measure their stability. At the same time, the extracts were protected by encapsulation (microencapsulation, multiple emulsions, and nanoemulsions). Applications of encapsulated extracts were probed in various food matrices (edible films, meat products, dairy, and fruit coatings). The xoconostle is a natural source of nutraceutical compounds, and the use of this fruit in the new food could help improve consumers’ health.     

TWO NOVEL GRADIENT METHODS WITH OPTIMAL STEP SIZES

In this work we introduce two new Barzilai and Borwein-like steps sizes for the classical gradient method for strictly convex quadratic optimization problems.The proposed step sizes employ second-order information in order to obtain faster gradient-type methods.Both step sizes are derived from two unconstrained optimization models that involve approximate information of the Hessian of the objective function.A convergence analysis of the proposed algorithm is provided.Some numerical experiments are performed in order to compare the efficiency and effectiveness of the proposed methods with similar methods in the literature.Experimentally,it is observed that our proposals accelerate the gradient method at nearly no extra computational cost,which makes our proposal a good alternative to solve large-scale problems.     

New Imatinib Derivatives with Antiproliferative Activity against A549 and K562 Cancer Cells

Tyrosine kinase enzymes are among the primary molecular targets for the treatment of some human neoplasms, such as those in lung cancer and chronic myeloid leukemia. Mutations in the enzyme domain can cause resistance and new inhibitors capable of circumventing these mutations are highly desired. The objective of this work was to synthesize and evaluate the antiproliferative ability of ten new analogs that contain isatins and the phenylamino-pyrimidine pyridine (PAPP) skeleton, the main pharmacophore group of imatinib. The 1,2,3-triazole core was used as a spacer in the derivatives through a click chemistry reaction and gave good yields. All the analogs were tested against A549 and K562 cells, lung cancer and chronic myeloid leukemia (CML) cell lines, respectively. In A549 cells, the 3,3-difluorinated compound (3a), the 5-chloro-3,3-difluorinated compound (3c) and the 5-bromo-3,3-difluorinated compound (3d) showed IC₅₀ values of 7.2, 6.4, and 7.3 μM, respectively, and were all more potent than imatinib (IC₅₀ of 65.4 μM). In K562 cells, the 3,3-difluoro-5-methylated compound (3b) decreased cell viability to 57.5% and, at 10 µM, showed an IC₅₀ value of 35.8 μM (imatinib, IC₅₀ = 0.08 μM). The results suggest that 3a, 3c, and 3d can be used as prototypes for the development of more potent and selective derivatives against lung cancer.     

Antileishmanial Effects of Acetylene Acetogenins from Seeds of Porcelia macrocarpa (Warm.) R.E. Fries (Annonaceae) and Semisynthetic Derivatives

As part of our continuous studies involving the prospection of natural products from Brazilian flora aiming at the discovery of prototypes for the development of new antiparasitic drugs, the present study describes the isolation of two natural acetylene acetogenins, (2S,3R,4R)-3-hydroxy-4-methyl-2-(n-eicos-11′-yn-19′-enyl)butanolide (1) and (2S,3R,4R)-3-hydroxy-4-methyl-2-(n-eicos-11′-ynyl)butanolide (2), from the seeds of Porcelia macrocarpa (Warm.) R.E. Fries (Annonaceae). Using an ex-vivo assay, compound 1 showed an IC₅₀ value of 29.9 μM against the intracellular amastigote forms of Leishmania (L.) infantum, whereas compound 2 was inactive. These results suggested that the terminal double bond plays an important role in the activity. This effect was also observed for the semisynthetic acetylated (1a and 2a) and eliminated (1b and 2b) derivatives, since only compounds containing a double bond at C-19 displayed activity, resulting in IC₅₀ values of 43.3 μM (1a) and 23.1 μM (1b). In order to evaluate the effect of the triple bond in the antileishmanial potential, the mixture of compounds 1 + 2 was subjected to catalytic hydrogenation to afford a compound 3 containing a saturated side chain. The antiparasitic assays performed with compound 3, acetylated (3a), and eliminated (3b) derivatives confirmed the lack of activity. Furthermore, an in-silico study using the SwissADME online platform was performed to bioactive compounds 1, 1a, and 1b in order to investigate their physicochemical parameters, pharmacokinetics, and drug-likeness. Despite the reduced effect against amastigote forms of the parasite to the purified compounds, different mixtures of compounds 1 + 2, 1a + 2a, and 1b + 2b were prepared and exhibited IC₅₀ values ranging from 7.9 to 38.4 μM, with no toxicity for NCTC mammalian cells (CC₅₀ > 200 μM). Selectivity indexes to these mixtures ranged from >5.2 to >25.3. The obtained results indicate that seeds of Porcelia macrocarpa are a promising source of interesting prototypes for further modifications aiming at the discovery of new antileishmanial drugs.     

Haphazard Intentional Sampling in Survey and Allocation Studies on COVID-19 Prevalence and Vaccine Efficacy

Haphazard intentional sampling is a method developed by our research group for two main purposes: (i) sampling design, where the interest is to select small samples that accurately represent the general population regarding a set of covariates of interest; or (ii) experimental design, where the interest is to assemble treatment groups that are similar to each other regarding a set of covariates of interest. Rerandomization is a similar method proposed by K. Morgan and D. Rubin. Both methods intentionally select good samples but, in slightly different ways, also introduce some noise in the selection procedure aiming to obtain a decoupling effect that avoids systematic bias or other confounding effects. This paper compares the performance of the aforementioned methods and the standard randomization method in two benchmark problems concerning SARS-CoV-2 prevalence and vaccine efficacy. Numerical simulation studies show that haphazard intentional sampling can either reduce operating costs in up to 80% to achieve the same estimation errors yielded by the standard randomization method or, the other way around, reduce estimation errors in up to 80% using the same sample sizes.     

Preparation of Thioaminals in Water

The presence of sulfur–carbon bonds is transversal to several areas of chemistry, e.g., drug discovery, materials, and chemical biology. However, a lack of efficient and sustainable procedures for the preparation of thioaminals, the N,S-analogues of O,O-acetals, contributes to this functional group often being overlooked by the scientific community. In this work is described the formation of thioaminals in water promoted by copper(II) triflate.