Synthesis,Leishmanicidal, Trypanocidal,Antiproliferative Assay and Apoptotic Induction of (2-Phenoxypyridin-3-yl)naphthalene-1(2H)-one Derivatives

The coexistence of leishmaniasis, Chagas disease, and neoplasia in endemic areas has been extensively documented. The use of common drugs in the treatment of these pathologies invites us to search for new molecules with these characteristics. In this research, we report 16 synthetic chalcone derivatives that were investigated for leishmanicidal and trypanocidal activities as well as for antiproliferative potential on eight human cancers and two nontumor cell lines. The final compounds 8–23 were obtained using the classical base-catalyzed Claisen–Schmidt condensation. The most potent compounds as parasiticidal were found to be 22 and 23, while compounds 18 and 22 showed the best antiproliferative activity and therapeutic index against CCRF-CEM, K562, A549, and U2OS cancer cell lines and non-toxic VERO, BMDM, MRC-5, and BJ cells. In the case of K562 and the corresponding drug-resistant K562-TAX cell lines, the antiproliferative activity has shown a more significant difference for compound 19 having 10.3 times higher activity against the K562-TAX than K562 cell line. Flow cytometry analysis using K562 and A549 cell lines cultured with compounds 18 and 22 confirmed the induction of apoptosis in treated cells after 24 h. Based on the structural analysis, these chalcones represent new compounds potentially useful for Leishmania, Trypanosoma cruzi, and some cancer treatments.     

Bauhinia forficata Link Infusions: Chemical and Bioactivity of Volatile and Non-Volatile Fractions

This study aimed to evaluate Bauhinia forficata infusions prepared using samples available in Rio de Janeiro, Brazil. As such, infusions at 5% (w/v) of different brands and batches commercialized in the city (CS1, CS2, CS3, and CS4) and samples of plant material botanically identified (BS) were evaluated to determine their total phenolic and flavonoid contents (TPC and TFC), antioxidant capacity (ABTS^•+, DPPH^•, and FRAP assays), phytochemical profile, volatile compounds, and inhibitory effects against the α-amylase enzyme. The results showed that infusions prepared using BS samples had lower TPC, TFC and antioxidant potential than the commercial samples (p < 0.05). The batch averages presented high standard deviations mainly for the commercial samples, corroborating sample heterogeneity. Sample volatile fractions were mainly composed of terpenes (40 compounds identified). In the non-volatile fraction, 20 compounds were identified, with emphasis on the CS3 sample, which comprised most of the compounds, mainly flavonoid derivatives. PCA analysis demonstrated more chemical diversity in non-volatile than volatile compounds. The samples also inhibited the α-amylase enzyme (IC₅₀ value: 0.235–0.801 mg RE/mL). Despite the differences observed in this work, B. forficata is recognized as a source of bioactive compounds that can increase the intake of antioxidant compounds by the population.     

Green Synthesis and Characterization of Cobalt Oxide Nanoparticles Using Psidium guajava Leaves Extracts and Their Photocatalytic and Biological Activities

The advanced technology for synthesizing nanoparticles utilizes natural resources in an environmentally friendly manner. Additionally, green synthesis is preferred to chemical and physical synthesis because it takes less time and effort. The green synthesis of cobalt oxide nanoparticles has recently risen due to its physico-chemical properties. In this study, many functional groups present in Psidium guajava leaf extracts are used to stabilize the synthesis of cobalt oxide nanoparticles. The biosynthesized cobalt oxide nanoparticles were investigated using UV-visible spectroscopic analysis. Additionally, Fourier-transform infrared spectroscopy revealed the presence of carboxylic acids, hydroxyl groups, aromatic amines, alcohols and phenolic groups. The X-ray diffraction analysis showed various peaks ranging from 32.35 to 67.35°, and the highest intensity showed at 36.69°. The particle size ranged from 26 to 40 nm and confirmed the average particle size is 30.9 nm. The green synthesized P. guajava cobalt oxide nanoparticles contain cobalt as the major abundant element, with 42.26 wt% and 18.75 at% confirmed by the EDAX techniques. SEM images of green synthesized P. guajava cobalt oxide nanoparticles showed agglomerated and non-uniform spherical particles. The anti-bacterial activity of green synthesized P. guajava cobalt oxide nanoparticles was evaluated against Gram-positive Staphylococcus aureus and Gram-negative Escherichia coli with a 7 to 18 mm inhibitory zone. The photocatalytic activity was evaluated using green synthesized P. guajava cobalt oxide nanoparticles and observed 79% of dye degradation. The MTT assay of P. guajava cobalt oxide nanoparticles showed an excellent cytotoxic effect against MCF 7 and HCT 116 cells compared to normal cells. The percentage of cell viability of P. guajava cobalt oxide nanoparticles was observed as 90, 83, 77, 68, 61, 58 and 52% for MCF-7 cells and 82, 70, 63, 51, 43, 40, and 37% for HCT 116 cells at the concentration of 1.53, 3.06, 6.12, 12.24, 24.48, 50, and 100 μg/mL compared to control cells. These results confirmed that green synthesized P. guajava cobalt oxide nanoparticles have a potential photocatalytic and anti-bacterial activity and also reduced cell viability against MCF-7 breast cancer and HCT 116 colorectal cancer cells.     

Synthesis of Potential Antiviral Agents for SARS-CoV-2 Using Molecular Hybridization Approach

We synthesized a set of small molecules using a molecular hybridization approach with good yields. The antiviral properties of the synthesized conjugates against the SAR-CoV-2 virus were investigated and their cytotoxicity was also determined. Among all the synthesized conjugates, compound 9f showed potential against SARS-CoV-2 and low cytotoxicity. The conjugates’ selectivity indexes (SIs) were determined to correlate the antiviral properties and cytotoxicity. The observed biological data were further validated using computational studies.     

Controlling transmembrane ion transport via photo-regulated carrier mobility

Stimuli-responsive transmembrane ion carriers allow for targeted and controllable transport activity, with potential applications as therapeutics for channelopathies and cancer, and in fundamental studies into ion transport phenomena. These applications require OFF–ON activation from a fully inactive state which does not exhibit background activity, but this remains challenging to achieve with synthetic transport systems. Here we introduce a novel mechanism for photo-gating mobile ion carriers, which involves modulating the mobility of the carriers within the lipid bilayer membrane. By appending a membrane-targeting anchor to the carrier using a photo-cleavable linker, the carrier''s ion transport activity is fully switched off by suppressing its ability to shuttle between the two aqueous-membrane interfaces of the bilayer. The system can be reactivated rapidly in situ within the membrane by photo-triggered cleavage of the anchor to release the mobile ion carrier. This approach does not involve direct functionalization of the ion binding site of the carrier, and so does not require the de novo design of novel ion binding motifs to implement the photo-caging of activity. This work demonstrates that controlling the mobility of artificial transport systems enables precise control over activity, opening up new avenues for spatio-temporally targeted ionophores.

Photo-gated anion transport is achieved by modulating the mobility of mobile carriers within a lipid bilayer membrane, using a photo-cleavable membrane anchor. This enables in situ, off–on activation of transport in vesicles.     

Environment-Assisted Modulation of Heat Flux in a Bio-Inspired System Based on Collision Model

The high energy transfer efficiency of photosynthetic complexes has been a topic of research across many disciplines. Several attempts have been made in order to explain this energy transfer enhancement in terms of quantum mechanical resources such as energetic and vibration coherence and constructive effects of environmental noise. The developments in this line of research have inspired various biomimetic works aiming to use the underlying mechanisms in biological light harvesting complexes for the improvement of synthetic systems. In this article, we explore the effect of an auxiliary hierarchically structured environment interacting with a system on the steady-state heat transport across the system. The cold and hot baths are modeled by a series of identically prepared qubits in their respective thermal states, and we use a collision model to simulate the open quantum dynamics of the system. We investigate the effects of system-environment, inter-environment couplings and coherence of the structured environment on the steady state heat flux and find that such a coupling enhances the energy transfer. Our calculations reveal that there exists a non-monotonic and non-trivial relationship between the steady-state heat flux and the mentioned parameters.     

Search for dark matter production in association with the Z′boson at the LHC in pp collisions at√s=8 TeV using Monte Carlo simulations

This analysis evaluates the possibility of the search for Dark Matter(DM)particles using events with a Z'heavy gauge boson and a large missing transverse moment...     

Synthesis and Structure of Uranyl Succinate Complexes with Cyanoguanidine and Diethylacetamide

Crystallography Reports - [UO2(suc)(C2N4H4)2] · 2H2O (I) and [UO2(Deaa)4(H2О)][(UO2)2(C4H4O4)3] · 2Deaa (II) crystals (suc2– is succinate ion, C2N4H4 is cyanoguanidine, and...     

Radiation-Induced Changes in the Degree of Crystallinity of Powdered Polytetrafluoroethylene

Crystallography Reports - An analysis of the diffraction patterns of powdered polytetrafluoroethylene (PTFE) γ-irradiated at room temperature in a nitrogen atmosphere to doses of 10–500...     

Electrochemical Emission during Discontinuous Creep of Aluminum‒Magnesium Alloy

Crystallography Reports - It is experimentally established that the discontinuous creep of aluminum?magnesium alloy AlMg6, deformed in an aqueous medium, is accompanied by discrete...