Search

This paper describes a statistical and mathematical approach to optimize the mechanical properties of a wood plastic composite with Polyethylene Terephthalate (PET) as polymeric matrix. Wood plastic composite are materials that consist of a primary continuous polymer phase, where a secondary filler dispersed phase is embedded, the filler generally is wood fibers or sawdust. The slack variable approach in mixture experiments, consist in selecting a component of the mixture as slack variable, to subsequently design and analyze the experiment in terms of the remaining components. With the experimental design information three slack variable model were fit. Using response surface graphs, we show how different compositions modify the mechanical properties of wood plastic composite. Besides, by the desirability function, the optimal formulation of the compound that simultaneously maximizing the mechanical properties of wood plastic composite, was obtained. Finally, the components proportions that provides the best tensile, flexural and compression strength are presented.

To determinate the antimicrobial effect of chloramphenicol and aqueous extract against multidrug-resistant enterohemorrhagic Escherichia coli (EHEC) and Salmonella enterica serovar Typhimurium in C...

Multi-branched molecules have recently demonstrated interesting behaviour as charge-transporting materials within the fields of perovskite solar cells (PSCs). For this reason, extended triarylamine dendrons have been grafted onto a pillar[5]arene core to generate dendrimer-like compounds, which have been used as hole-transporting materials (HTMs) for PSCs. The performances of the solar cells containing these novel compounds have been extensively investigated. Interestingly, a positive dendritic effect has been evidenced as the hole transporting properties are improved when going from the first to the second-generation compound. The stability of the devices based on the best performing pillar[5]arene material has been also evaluated in a high-throughput ageing setup for 500 h at high temperature. When compared to reference devices prepared from spiro-OMeTAD, the behaviour is similar. An analysis of the economic advantages arising from the use of the pillar[5]arene-based material revealed however that our pillar[5]arene-based material is cheaper than the reference.

Accumulating evidence indicates that transient receptor potential (TRP) channels are involved in the pathophysiological process in the heart, and monoterpenes, such as carvacrol, are able to modulate these channels activity. In this article, our purpose was to evaluate the direct cardiac effect of carvacrol on the contractility of cardiomyocytes and isolated right atria from spontaneously hypertensive and Wistar Kyoto rats. In this way, in vitro experiments were used to evaluate the ventricular cardiomyocytes contractility and the Ca2+ transient measuring, in addition to heart rhythm in the right atria. The role of TRPM channels in carvacrol-mediated cardiac activities was also investigated. The results demonstrated that carvacrol induced a significant reduction in ventricular cell contractility, without changes in transient Ca2+. In addition, carvacrol promoted a significant negative chronotropic response in spontaneously hypertensive and Wistar Kyoto rats' atria. Selective blockage of TRPM channels suggests the involvement of TRP melastatin subfamily 2 (TRPM2), TRPM4, and TRPM7 in the carvacrol-mediated cardiac effects. In silico studies were conducted to further investigate the putative role of TRPM4 in carvacrol-mediated cardiac action. FTMap underscores a conserved pocket in both TRPM4 and TRPM7, revealing a potential carvacrol binding site, and morphological similarity analysis demonstrated that carvacrol shares a more than 85% similarity to 9-phenanthrol. Taken together, these results suggest that carvacrol has direct cardiac actions, leading to reduced cellular contractility and inducing a negative chronotropic effect, which may be related to TRPM7 and TRPM4 modulation.

The oil and gas industry has established 4D seismic as a key tool to maximize oil recovery and operational safety in siliciclastic and low- to medium-stiffness carbonate reservoirs. However, for the stiffer carbonate reservoirs of the Brazilian presalt, the value of 4D seismic is still under debate. Tupi Field has been the stage of a pioneering 4D seismic project to field test the time-lapse technique's ability in monitoring production and water-alternating-gas (WAG) injection in the Brazilian presalt. Ocean-bottom node (OBN) technology was applied for the first time in the ultra-deep waters of Santos Basin, leading to the Tupi Nodes pilot project. We started with feasibility studies to forecast the presalt carbonate time-lapse responses. The minerals that constitute these carbonate rocks have an incompressibility modulus that is generally twice as large as those of siliciclastic rocks. This translates into discrete 4D signals that require enhanced seismic acquisition and processing techniques to be correctly detected and mapped. Consequently, two OBN seismic acquisitions were carried out. Time-lapse processing included the application of top-of-the-line processing tools, such as interbed multiple attenuation. The resulting 4D amplitude images demonstrate good signal-to-noise ratio, supporting both static and dynamic interpretations that are compatible with injection and production histories. To unlock the potential of 4D quantitative interpretation and the future employment of 4D-assisted history-matching workflows, we conducted a 4D seismic inversion test. Acoustic impedance variations of about 1.5% are reliably distinguishable beyond the immediate vicinity of the wells. These 4D OBN seismic surveys and interpretations will assist in identifying oil-bypassed targets for infill wells and calibrating WAG cycles, increasing oil recovery. We anticipate that studies of the entire Brazilian presalt section will greatly benefit from the results and conclusions already reached for Tupi Field.

BACKGROUND Omega-3 long chain polyunsaturated fatty acids (LCPUFA) reduce circulating cytokines produced by monocytes. Nevertheless, whether the omega-3 LCPUFA regulate the monocytes and their cytokines in Duchenne muscular dystrophy (DMD) is unknown. The aim of this study was to evaluate whether circulating pro-inflammatory monocytes are increased and whether omega-3 LCPUFA selectively suppress these monocytes and their cytokines in patients with DMD. METHODS This was a double-blind, randomized, placebo-controlled pilot study carried out in patients with DMD supplemented with omega-3 LCPUFA (n = 6) or sunflower oils (placebo, n = 6) for 6 months. Monocytes and their cytokines were measured at baseline and after 1, 2, 3, and 6 months of supplementation. RESULTS The anti-inflammatory monocytes (median, [95% CI]) are increased at month 3 (-0.46 [-13.5-9.5] vs. 8.4 [5.5-12.5], p = 0.05) in the omega-3 LCPUFA group compared with the placebo group. The pro-inflammatory monocytes (-5.7 [-63.8-114.1] vs. -51.9 [-91.2 to -25.4], p = 0.026 and -16.4 [-50.8-50.6] vs. -57.9 [-86.9 to -18.5], p = 0.045 at months 3 and 6, respectively) and their cytokine interleukin 6 (-11.9 [-93.5-148.9] vs. -64.7 [-77.8 to -42.6], p = 0.019 at month 6) decreased in the omega-3 LCPUFA group compared with the placebo group. Pro-inflammatory monocytes decreased and anti-inflammatory monocytes were augmented (p

Numerous repositioned drugs have been sought to decrease the severity of SARS-CoV-2 infection. It is known that among its physicochemical properties, Ursodeoxycholic Acid (UDCA) has a reduction in surface tension and cholesterol solubilization, it has also been used to treat cholesterol gallstones and viral hepatitis. In this study, molecular docking was performed with the SARS-CoV-2 Spike protein and UDCA. In order to confirm this interaction, we used Molecular Dynamics (MD) in “SARS-CoV-2 Spike protein-UDCA”. Using another system, we also simulated MD with six UDCA residues around the Spike protein at random, naming this “SARS-CoV-2 Spike protein-6UDCA”. Finally, we evaluated the possible interaction between UDCA and different types of membranes, considering the possible membrane conformation of SARS-CoV-2, this was named “SARS-CoV-2 membrane-UDCA”. In the “SARS-CoV-2 Spike protein-UDCA”, we found that UDCA exhibits affinity towards the central region of the Spike protein structure of − 386.35 kcal/mol, in a region with 3 alpha helices, which comprises residues from K986 to C1032 of each monomer. MD confirmed that UDCA remains attached and occasionally forms hydrogen bonds with residues R995 and T998. In the presence of UDCA, we observed that the distances between residues atoms OG1 and CG2 of T998 in the monomers A, B, and C in the prefusion state do not change and remain at 5.93 ± 0.62 and 7.78 ± 0.51 Å, respectively, compared to the post-fusion state. Next, in “SARS-CoV-2 Spike protein-6UDCA”, the three UDCA showed affinity towards different regions of the Spike protein, but only one of them remained bound to the region between the region's heptad repeat 1 and heptad repeat 2 (HR1 and HR2) for 375 ps of the trajectory. The RMSD of monomer C was the smallest of the three monomers with a value of 2.89 ± 0.32, likewise, the smallest RMSF was also of the monomer C (2.25 ± 056). In addition, in the simulation of “SARS-CoV-2 membrane-UDCA”, UDCA had a higher affinity toward the virion-like membrane; where three of the four residues remained attached once they were close (5 Å, to the centre of mass) to the membrane by 30 ns. However, only one of them remained attached to the plasma-like membrane and this was in a cluster of cholesterol molecules. We have shown that UDCA interacts in two distinct regions of Spike protein sequences. In addition, UDCA tends to stay bound to the membrane, which could potentially reduce the internalization of SARS-CoV-2 in the host cell.

Conventional in vitro propagation may affect normal morphophysiological characteristics and survival during the acclimatization of commercial plants, such as Etlingera Elatior (Jack) R.M. Smith. CO2 enrichment, gas-permeable membranes, and reduced carbohydrate concentration in culture media can be used to mitigate these effects. Here, we aimed to determine the impact of photomixotrophic and photoautotrophic growth on morphophysiological responses of E. elatior and its survival during ex vitro acclimatization. In vitro-established plants were placed in flasks containing semisolid MS medium with 0.54 µM α-naphthalene acetic acid and sucrose (0 or 15 g L−1). The flasks were sealed with lids with or without orifices covered by gas-permeable membranes and kept for 45 days under forced-air ventilation (360 or 1000 µmol−1 CO2). Growth variables, anatomical and physiological characteristics, and survival rate were evaluated. Overall, 1000 µmol mol−1 CO2, gas-permeable membranes, and 15 g L−1 sucrose resulted in plants with higher fresh and dry mass, higher level of photosynthetic pigments, as well as more developed secondary ribs in the leaves, prominent midribs, highly organized and differentiated chlorenchyma cells (palisade and spongy parenchyma), more developed vascular bundles, and intercellular gaps were reduced, compared to conventionally in vitro-propagated plants. Moreover, these conditions promote morphophysiological responses and favored survival of E. elatior plants (75%) when transferred to ex vitro conditions.

Turmeric (Curcuma longa L.) is of great importance due to its medicinal properties and industrial uses. However, as in most plants, physiological and biochemical changes occur in turmeric plants subjected to saline conditions. This study aimed to evaluate the growth and antioxidant response of turmeric plants, and the yield and composition of turmeric essential oil under saline stress. The study was greenhouse-based, and 180 days old turmeric plants were treated with 50, 100, and 150 mM NaCl solutions for 130 days. Plants grown under high NaCl concentrations showed significantly reduced shoot length and shoot and rhizome biomass accumulation. Large amounts of proline accumulated in the leaves at 150 mM NaCl. Lipid peroxidation and malondialdehyde content increased with salinity in both leaves and rhizomes. Antioxidant enzymes showed greater activity in the leaves of plants exposed to high NaCl concentrations. Salinity altered the yield and chemical composition of the essential oil in the rhizomes. A total of 114 compounds were identified in the essential oil, with the main compounds from the sesquiterpenes class. Sesquiterpenes can constitute a secondary antioxidant system which can assist the primary antioxidant defense system to maintain the levels of hydrogen peroxide in cells at concentrations sub-lethal to turmeric plants. In addition, the presence of rhizomes has a mitigating effect on salt stress in this species due to the antioxidant activity of the essential oil present in the rhizomes.

Background. Fracture risk assessment tool (FRAX) index was developed for estimating of the 10-year risk of major or hip osteoporotic fracture. To date, there is insufficient information regarding the correlation between FRAX and serum bone turnover markers (BTMs), such as soluble ligand of receptor activator of nuclear factor-κB (sRANKL), osteoprotegerin (OPG), and other molecules related with secondary osteoporosis in rheumatoid arthritis (RA). Therefore, this study is aimed at assessing the correlation between the FRAX and serum levels of sRANKL, OPG, sRANKL/OPG ratio, Dickkopf-1 (DKK-1), and sclerostin (SOST) in RA. Methods. Cross-sectional study included 156 postmenopausal women with RA. Bone mineral density (BMD) was measured at lumbar spine (L1-L4) and total hip using dual-energy X-ray absorptiometry (DXA). RA patients were divided into (A) RA + osteoporosis and (B) RA without osteoporosis. FRAX scores were calculated including the total hip BMD. Serum sRANKL, OPG, DKK-1, and SOST levels were measured by ELISA. Pearson tests were used for assessing the correlation between serum levels of these molecules and FRAX scores in RA. Results. The RA + osteoporosis group had elevated sRANKL levels ( p = 0.005 ), higher sRANKL/OPG ratio ( p = 0.017 ), decreased DKK-1 ( p = 0.028 ), and lower SOST levels ( p < 0.001 ). Low total hip BMD correlated with high sRANKL ( p = 0.001 ) and sRANKL/OPG ratio ( p = 0.005 ). Total hip and lumbar spine BMD correlated with DKK-1 ( p = 0.009 and p = 0.05 , respectively) and SOST levels ( p < 0.001 and p < 0.001 , respectively). Higher sRANKL levels and sRANKL/OPG ratio correlated with estimated 10-year risk of a major osteoporotic fractures ( p = 0.003 and p = 0.003 , respectively) and hip fracture ( p = 0.002 and p = 0.006 , respectively). High serum SOST levels were associated with a low estimated 10-year risk of a major osteoporotic fracture ( p = 0.003 ) and hip fracture ( p = 0.009 ). Conclusion. High sRANKL levels and sRANKL/OPG ratio can be useful to detect a subgroup of RA patients who has an increased 10-year risk of major and hip osteoporotic fractures.

This study aimed to evaluate the effect of a methoxylated fraction from Vellozia dasypus Seub on myeloperoxidase (MPO)-chlorinating activity and subsequent in silico assays for binding profile pred...

Virola surinamensis is a forest species widely distributed in the estuaries of the Amazon. These ecosystems are susceptible to contamination by Cadmium (Cd), indicating that the plant has strategies for tolerating this metal. The aim of this study was to assess the nitrogen and carbon metabolism of young plants of Ucuúba (Virola surinamensis) in the presence of cadmium with the perspective of the phytoremediation of contaminated environments. The used experimental design was a completely randomized design with five Cd concentrations (0, 15, 30, 45, and 60 mg L− 1), for 60 days. In general, Cd did not affect nitrate concentration in the root but had a positive effect on leaves. The reduction of nitrate reductase (NR) in plants exposed to Cd was followed by a decrease in ammonia, total soluble amino acids (TSA), and total soluble proteins (TSP). Cd promoted an increase in the concentration of total soluble carbohydrates (TSC), proline, sucrose, and reducing sugars in the plants. The increase in TSC, sucrose and proline, suggests a metabolic regulatory mechanism of V. surinamensis against Cd stress.

Here, the up-and down-conversion emissions enhancement in Er3+/Yb3+/Li+ co-doped Y4O(OH)9NO3 and Y2O3 nanoparticles was studied in function of the calcination temperature. Tri-doped Y4O(OH)9NO3 nanophosphors were synthesized by the hydrothermal method and then calcined to yield Y2O3 nanocrystalline structures. The phase evolution from Y4O(OH)9NO3 to Y2O3 was investigated by XRD analysis, and the quantification of Li + species in the nanoparticles lattice was done by FTIR. Both techniques allow explaining the photoluminescence enhancement in terms of the calcination temperature required to achieve optimum lithium incorporation. SEM analysis was used to monitor changes in the morphology with the thermal treatment temperature. The resulting photoluminescence emission spectra of the Er3+/Yb3+ doped Y4O(OH)9NO3 and Y2O3 nanocrystals were composed of emission bands associated with the Er3+ 2H11/2, 4S3/2 → 4I15/2 (green), 4F9/2 → 4I15/2 (red), and 4I13/2 → 4I15/2 (infrared) intraelectronic transitions, and its relative contribution was found to be sensitive to the calcination temperature. Thus, tunable color emission from yellowish-orange to yellow-green light with a color temperature of 2581–4433 K upon 980 nm excitation, respectively, was observed.

By coating the alveolar air-liquid interface, lung surfactant overwhelms surface tension forces that, otherwise, would hinder the lifetime effort of breathing. Years of research have provided a picture of how highly hydrophobic and specialized proteins in surfactant promote rapid and efficient formation of phospholipid-based complex three-dimensional films at the respiratory surface, highly stable under the demanding breathing mechanics. However, recent evidence suggests that the structure and performance of surfactant typically isolated from bronchoalveolar lung lavages may be far from that of nascent, still unused, surfactant as freshly secreted by type II pneumocytes into the alveolar airspaces. In the present work, we report the isolation of lung surfactant from human amniotic fluid (amniotic fluid surfactant, AFS) and a detailed description of its composition, structure, and surface activity in comparison to a natural surfactant (NS) purified from porcine bronchoalveolar lavages. We observe that the lipid/protein complexes in AFS exhibit a substantially higher lipid packing and dehydration than in NS. AFS shows melting transitions at higher temperatures than NS and a conspicuous presence of nonlamellar phases. The surface activity of AFS is not only comparable with that of NS under physiologically meaningful conditions but displays significantly higher resistance to inhibition by serum or meconium, agents that inactivate surfactant in the context of severe respiratory pathologies. We propose that AFS may be the optimal model to study the molecular mechanisms sustaining pulmonary surfactant performance in health and disease, and the reference material to develop improved therapeutic surfactant preparations to treat yet unresolved respiratory pathologies.

Background: Aedes aegypti is the primary dengue vector, a significant public health problem in many countries. Controlling the growth of Ae. aegypti is the biggest challenge in the mosquito control program, and there is a need for finding bioactive molecules to control Ae. aegypti in order to prevent dengue virus transmission. Objective: To assess the mosquitocidal property of lawsone and its 3-methyl-4H-chromen-3-yl-1-phenylbenzo[6,7]chromeno[2,3,c]pyrazole-dione derivatives (6a-6h) against various life stages of Ae. aegypti. Besides, to study the mode of action of the active compound by molecular docking and histopathological analysis. Methods: All derivatives were synthesized from the reaction between 2-hydroxy-1,4-naphthoquinone, chromene-3-carbaldehyde, and 1-phenyl-3-methyl-pyrazol-5-one by using one pot sequential multicomponent reaction. The mosquito life stages were subjected to diverse concentrations ranging from 1.25, 2.5, 5.0, and 10 ppm for lawsone and its derivatives. The structure of all synthesized compounds was characterized by spectroscopic analysis. Docking analysis was performed using autodock tools. Midgut sections of Ae. aegypti larvae were analyzed for histopathological effects. Results: Among the nine compounds screened, derivative 6e showed the highest mortality on Ae. aegypti life stages. The analyzed LC50 and LC90 results of derivative 6e were 3.01, 5.87 ppm, and 3.41, 6.28 ppm on larvae and pupae of Ae. aegypti, respectively. In the ovicidal assay, the derivative 6e recorded 47.2% egg mortality after 96-hour post-exposure to 10 ppm concentration. In molecular docking analysis, the derivative 6e confirmed strong binding interaction (-9.09 kcal/mol and -10.17 kcal/mol) with VAL 60 and HIS 62 of acetylcholinesterase 1 (AChE1) model and LYS 255, LYS 263 of kynurenine aminotransferase of Ae. aegypti, respectively. The histopathological results showed that the derivative 6e affected the columnar epithelial cells (CC) and peritrophic membrane (pM). Conclusion: The derivative 6e is highly effective in the life stages of Ae. aegypti mosquito and it could be used in the integrated mosquito management programme.

Liposomes are among the most effective vehicles to deliver siRNAs to cells, both in vitro and in vivo. However, despite numerous efforts to improve the potential of liposomes, siRNAs begin to leach out of liposomes as soon as they are formulated. This decreases the value of liposomes for drug delivery purposes significantly, masking their true potential. In this study, we examine the effect of β-cyclodextrins on the retention time and transfection efficiency of siRNAs formulated in a liposome. Cyclodextrins have been widely studied as solvating agents and drug delivery vectors mainly because these cyclic nontoxic glucose structures can bind several molecules of different physicochemical characteristics, through H-bonding or by forming inclusion complexes. These properties, although beneficial for most applications, have resulted in some contradictory results published in the literature, whereas cyclodextrins have been found to destabilize a liposome’s membrane. Here, we present a systematic study, which shows that β-cyclodextrin binds, possibly via hydrogen bonding, with siRNA and DOPC liposomes, resulting in increased siRNA serum stability and in vitro siRNA’s transfection efficiency when formulated together.

Collaborative therapy is regarded as an effective approach in increasing the therapeutic efficacy of cancer. In this work, we have proposed and validated the concept of upconversion lumienscence image guided synergy of photodynamic therapy (PDT) and radiotherapy (RT) for deep cancer, via a specially designed nanoplatform integrating near infrared (NIR) light activated luminescence upconversion and X-ray induced scintillation. Upon NIR light irradiation, the nanoplatform emits highly monochromatic red light solely for imaging the targeted cancer cells without triggering therapy; however, when the irradiation turns to a low dose of X-rays, scintillation will occur which induces effectively the PDT destroying the cancer cells together with X-ray induced RT. The novel theranostic nanoplatform is constructed in such a way that the interactions between the upconversion core and the outmost scintillating shell are blocked effectively by an inert layer between them. This structural design not only enables a nearly perfect excitation energy delivery (∼100% at a spectral overlapping wavelength of ∼540 nm) from the outermost scintellating layer to the surface-anchored photosensitizers and so a maximum yield of radical oxygen species, but also achieves a strong NIR induced upconversion luminescence for imaging. Since PDT and RT attack different parts of a cancer cell, this synergy is more effective in destroying cancer than a single therapy, resulting in the reduction of the X-ray irradiation dosage. As a proof of principle, the theranostic effect is validated by in vitro and in vivo experiments, exhibiting the great potential of this sort of nanoplatform in deep cancer treatment., Nanoplatforms consisting of an upconversion nanocore and an outermost X-ray active shell for PDT enable photoswitchable UCL imaging and RT&X-PDT.

In the context of global change, it is important to know the physiological limits and behavioural responses of species to environmental changes, especially for those living in extreme environments such as supratidal rockpools. Our main study objective was to determine the thermal tolerance of 3 beetle species (Ochthebius quadricollis, O. subinteger and O. lejolisii) co-occurring on the western Mediterranean coast using physiological and behavioural thermoregulatory responses to predict their sensitivity to climate change. To this end, we: (1) compared the heat coma (HC) among species and populations; (2) explored the effect of salinity on HC in adults and larvae of O. quadricollis and O. lejolisii; and (3) determined the temperature thresholds for avoidance responses (water emersion and flight) of adult stages against heat and salinity stressors. We found significant interspecific and interpopulation differences in HC. O. quadricollis larvae and adults were the most heat tolerant, showing similar HC values under different salinity conditions. In O. lejolisii, high salinity (90 g l-1) conferred greater thermal tolerance in larvae but lower tolerance in adults. The temperature thresholds for avoidance responses were generally lower than 40°C, but interspecific variation followed their obtained HC patterns. In both of these species, salinity affected the sublethal temperature thresholds for water emersion. An additive effect of temperature and salinity was observed for the frequency of emergence and flight in both species. Our results provide relevant information for estimating thermal safety margins and developing mechanistic predictive models for the survival of these species when faced with current and future climate change scenarios.

Terminals obtained from spent lead-acid batteries in Mexico contain around 2 wt% Sb. The terminals were melted in an electric furnace and then oxygen was injected at 750 ?C with a gas flow rate of 2 L/min to produce high purity Sb2O3. The antimony trioxide obtained was treated with a mixture of Na2CO3-SiC at 1000 ?C to obtain metallic antimony. The antimony trioxide was reduced by C present in reagents while silicon and sodium formed a slag phase. The amounts of Sb2O3 and SiC were held constant while the Na2CO3 was evaluated in the range from 30 to 42 wt%. The produced antimony and slag were characterized by the X-ray diffraction and SEM-EDS techniques. The addition of 34 wt% Na2CO3 led to the recovery of antimony up to 90.16 wt% (99.57 wt% purity) and the lowest antimony losses in the slag (2 wt%). In addition, the compounds Na2SiO3 and Na2Si2O5 formed in the slag indicated a more stable slag. Na2CO3 contents higher than 38 wt% decreased the antimony recovery since Na2Sb4O7 compound was promoted in the slag. The oxidation and reduction process was modeled in FactSage 7.3 software for a better understanding of the Na2CO3 and SiC additions on the antimony recovery rates and compounds formed in the slag.

In the present communication, the simultaneous co-immobilization by covalent binding of lipase A from Candida antarctica (CALA) and lipase B from Candida antarctica (CALB) in glutaraldehyde (GLU) activated chitosan (CHI) was optimized using the Taguchi method. Under optimized conditions (pH 9, 5 mM, 6:1 (protein load/g of support and 1 h), it was possible to reach 80.00 ± 0.01% for the immobilization yield (IY) and 46.01 ± 0.35 U/g for the activity of the derivative (AtD); in this case, load protein and ionic strength were the only statistically significant parameters and, therefore, those that most influenced the immobilization process. Furthermore, at pH 7, CALA-CALB-CHI had a half-life 2–6 times longer than the mixture of CALA and CALB for a temperature range of 50−80 °C. CALA-CALB showed the highest activity at pH 7, whereas CALA-CALB-CHI, except at pH 7, was more active than the soluble lipase mixture in the pH range (5–9), especially at pH 9. CHI, CHI-GLU, and CALA-CALB-CHI were characterized by X-ray powder diffraction (XRPD), Fourier Transform Infrared Spectroscopy (FTIR), Scanning Electron Microscope (SEM), Thermogravimetry (TGA), and Energy Dispersive Spectroscopy (EDS), proving the immobilization of CALA and CALB in chitosan. CALA-CALB-CHI derivative evaluated in the kinetic resolution of halohydrins acetates rac-2-bromo-1-(2-chlorophenyl) ethyl acetate (2a) and rac-2-chloro-1-(2,4-dichlorophenyl) ethyl acetate (2b), to produce the corresponding halohydrins 3a-b, which are intermediates in the synthesis of the drugs chlorprelanine (antiarrhythmic) and luliconazol (antifungal), respectively. (S)-bromohydrin 3a was obtained with 79% enantiomeric excess (ee), whereas (S)-chlorohydrin 3b produced with 98% ee, conversion of 46% and E > 200. Additionally, molecular docking was performed to elucidate the hydrolysis interaction reaction between β-halohydrin acetates and lipases CALA-CALB.

Transcription factors associated with quorum sensing in P. aeruginosa are promising targets for developing new adjuvants against infection by this pathogen. Regulation of these transcription factors offers the possibility of controlling multiple virulence factors related to them, as the development of biofilm, proteases, hydrogen cyanide, and others. Numerous molecules have been tested against those targets, but the keys responsible for antagonistic activity against these targets are unknown. In this work, we analyze the structure-activity relationships of active molecules tested against LasR, PqsR, and RhlR transcription factors to establish the structural characteristics associated. The compounds were classified as agonist, antagonist, and inactive. As part of the analysis, we conducted molecular complexity, scaffold analyses, activity cliffs analyses, and chemical space visualization to find characteristics associated with the biological activity. Several structural features were identified as important to antagonist activity in this study, highlighting molecular size and hydrogen bond acceptors.

Randia aculeata (Rubiaceae) is a medicinal plant distributed in the state of Jalisco, Mexico. In folk medicine it is used to counteract the effects produced by the bite of snakes and other poisonous insects. However, there are no reports of new alternatives to use the plant in a sustainable way. The main objective of this study was to establish a cell culture of R. aculeata, evaluate its anti-inflammatory and antibacterial potential and determine the phytochemical profile. In addition, we determine the total phenolics content and antioxidant activity of methanol extracts. Cell suspension cultures (CSC) was established with 2.0 mg/L 1-naphthaleneacetic acid and 0.5 mg/L 6-furfurylaminopurine in MS culture medium. CSC produced 13.77 ± 0.49 g/L biomass in dry weight at 36 days of culture. GC-MS analysis showed high amounts of β-sitosterol for hexane (HE-L: 22.02 ± 0.44%) and dichloromethane (DE-L: 19.69 ± 0.49%) leaf extracts. Hexane CSC extract (HE-CSC) stood out for containing high amount of palmitic acid (43.95 ± 0.02%) and dichloromethane extract (DE-CSC) had mainly palmitic acid (30.16 ± 2.14%) and vanillic acid (10.23 ± 0.34%). The methanol CSC extract (ME-CSC) showed antioxidant activity with an IC50 value of 16.49 ± 0.25 µg/mL, which was almost equal to the methanol leaf extract (ME-L) that showed a IC50 of 14.37 ± 0.20 µg/mL. The HE-CSC and DE-CSC were the only ones that showed inhibition against S. aureus, S. aureus-MRSA, S. typhimurium and E. coli. However, S. aureus was the most susceptible with HE-CSC (MIC = 62.5 µg/mL) and DE-CSC (MIC = 125 µg/mL). The HE-CSC exhibited the highest percentages of inhibition of NO production (36.88 ± 4.35%) at 40 µg/mL in RAW 264.7 macrophages, which was slightly lower than indomethacin (47.45 ± 7.41%) tested at 30 µg/mL. This extract was also the most effective against bacteria. The results suggest that cell culture extracts of R. aculeata may be a sustainable source for obtaining bioactive compounds.

Introduction and aim: Anastomosis leak occurs in 1–19% of colorrectal surgeries. Our objective was to present the first Mexican case series on colorrectal surgery using indocyanine green fluorescence angiography to evaluate perfusion prior to carrying out the anastomosis. Materials and methods: A retrospective, analytic, descriptive study was conducted. We studied the case records of consecutive patients that underwent colorrectal surgery with indocyanine green angiography performed by the same group of colorrectal surgeons. Results: Twenty-one case records were reviewed. Eleven (52.3%) of the patients were women, mean patient age was 57 years (38–82), and mean body mass index was 25 kg/m2 (17–34). Fifteen (71.4%) patients were diagnosed with malignant disease. Indocyanine green angiography changed our therapeutic decision in three (14.2%) patients. Two colorrectal anastomoses (14.2%) were performed at fewer than 5 cm from the anal verge and 13 (61.9%) were performed at more than 5 cm from the anal verge. Three of the anastomoses were ileocolic (14.2%), two were coloanal (9.5%), and one was ileoanal (4.7%). There were six (28.5%) complications, no cases of anastomotic leak, and no complications associated with the use of indocyanine green. The mortality rate was 0%. Conclusion: The present case series is the first on colorrectal surgery conducted in Mexico using indocyanine green fluorescence angiography, with excellent results. Resumen: Introducción y objetivo: La dehiscencia de anastomosis ocurre en 1 al 19% de los pacientes con cirugía colorrectal. El objetivo es presentar la primera serie de cirugía colorrectal en México en la que se utilizó la angiografía por fluorescencia con verde de indocianina para valorar la perfusión, previo a realizar la anastomosis. Material y métodos: Estudio retrospectivo, analítico y descriptivo. Se analizaron los expedientes de pacientes consecutivos con cirugía colorrectal de un mismo grupo de cirujanos colorrectales en los que se utilizó la angiografía con verde de indocianina. Resultados: Se revisaron 21 expedientes de los cuales 11 (52.3%) eran mujeres, media de edad 57 años (38 a 82) y media de índice de masa corporal (IMC) 25 kg/m2 (17 a 34). El diagnóstico fue enfermedad maligna en 15 (71.4%) pacientes. La angiografía cambió nuestra decisión terapéutica en tres (14.2%) casos. Dos anastomosis se hicieron colorrectales a menos de 5 cm del margen anal (14.2%), a menos de 5 cm del margen anal, 13 (61.9%) se hicieron a más de 5 cm, tres (14.2%) fueron ileo-colónicas, dos (9.5%) se hicieron colo-anales y una (4.7%) se hizo ileo-anal. Tuvimos seis (28.5%) complicaciones, no existió dehiscencia de anastomosis ni complicación asociada con el uso de verde de indocianina. Mortalidad de 0%. Conclusión: Presentamos la primera serie de cirugía colorrectal en México en la que se utilizó la angiografía por fluorescencia con verde de indocianina con excelentes resultados.