Estudios de acoplamiento molecular de nuevos análogos de quinolonas a la ADN girasa de Escherichia coli

Indexación: Scopus.Chemicals and CAS Registry Numbers: amino acid, 65072-01-7; ciprofloxacin, 85721-33-1; DNA topoisomerase (ATP hydrolysing); gatifloxacin, 112811-59-3, 180200-66-2; levofloxacin, 100986-85-4, 138199-71-0; lomefloxacin, 98079-51-7; moxifloxacin, 151096-09-2; nalidixic acid, 389-08-2; oxolinic acid, 14698-29-4; pipemidic acid, 51940-44-4; rufloxacin, 101363-10-4; sitafloxacin, 127254-12-0, 163253-35-8Context: Bacterial resistance to antibiotics is the inevitable consequence of the use of antimicrobial agents. Thus, quinolones are an important class of antibacterials; these agents generally consist of a 1-subtituted-1,4-dihydro-4-oxopyridine-3-carboxylic acid moiety combined with an aromatic or heteroaromatic ring fused at the 5- and 6-position. Aims: To determine the binding of quinolones to DNA gyrase of Escherichia coli. Methods: An analysis was performed using an in silico approach to determine, by docking calculations and energy descriptors, the conformer of 4‐oxo‐1,4‐dihydroquinoline skeleton that forms the most stable complex with DNA gyrase of E. coli. Results: The complex shows that the pose of the quinolones coincides with the amino acid residues Asp87, Thr88, Arg91 and Met92, which is expected to be critical in the binding of quinolones to DNA gyrase of E. coli. A series of quinolones were computationally designed, and the interactions between the quinolones and the amino acid residues of the DNA gyrase were calculated. Conclusions: Among the designed compounds, compounds 105 and 115 exhibit higher binding energy values and interact with amino acids Asp87, Thr88, Arg91 and Met92. © 2018 Journal of Pharmacy & Pharmacognosy Research.http://jppres.com/jppres/pdf/vol6/jppres18.368_6.5.386.pd

Evaluation of the geotechnical behaviour of a volcanic soil wall with additions of lime and cement against landslides

The construction of earth walls can be a significant response to prevent the next landslides from reaching the road and avoid accidents. Therefore, a material of the same slope was used and reinforced with mixtures of lime and cement, with this same reinforced material a mechanically stabilized hypothetical earth wall (MSE) was developed. An analysis of the original slope was developed to check if there was a possible failure through its safety factor. Then, a hypothetical wall was developed with a floor reinforced with mixtures, in order to assess its overall safety factor and its maximum landslides. According to the results, in principle it was determined that the dosage M-3 / C-4-4 improves in a range of 30% to 37% the friction angle. In addition, it was found that a reinforced wall, that is to say with Lime and cement additions, presents a better behaviour. In its effect, its displacements are about 8 mm and have a global factor of 1.23

Ice Dragon: A Mission to Address Science and Human Exploration Objectives on Mars

We present a mission concept where a SpaceX Dragon capsule lands a payload on Mars that samples ground ice to search for evidence of life, assess hazards to future human missions, and demonstrate use of Martian resources

Heterogeneous Communication Network Architecture for the Management of Electric Vehicle Charging Stations: Multi-Aggregator Management in Microgrids with High Photovoltaic Variability Based on Multiple Solar Radiation Sensors

Electric power systems with a high penetration of photovoltaic generation and a relevant fleet of electric vehicles face significant stability challenges, particularly in mountainous areas where the variability of photovoltaic resources is pronounced. This study presents a novel methodology to strategically place electric vehicle aggregators along a feeder. This approach considers electrical variables and the dynamics of cloud movements within the study area. This innovative methodology reduces the substation’s power load demand and significantly improves the end user’s voltage levels. The improvements in voltage regulation and reduced demand on the substation provide clear benefits, including increased system resilience, better integration of renewable energy sources, and enhanced overall efficiency of the electric grid. These advantages are particularly critical in regions with high levels of photovoltaic generation and are important in promoting sustainable electric vehicle charging infrastructure. When analyzing different load scenarios for the IEEE European Low Voltage Test Feeder system, the consideration of distributed aggregators based on cloud movements decreased the power required at the substation by 21.25%, and the voltage drop in loads was reduced from 6.9% to 4.29%. This research underscores the critical need to consider both the variability and geographical distribution of PV resources in the planning and operation of electrical systems with extensive PV generation.Universidad de Cuenca and Universidad de Valladolid, who made this work possible through a cooperation framework agreement and the specific agreement to regulate their collaboration in research in electrical microgrids and renewable energie

Relation Between Type II Bursts and CMEs Inferred from STEREO Observations

The inner coronagraph (COR1) of the Solar Terrestrial Relations Observatory (STEREO) mission has made it possible to observe coronal mass ejections (CMEs) a in the spatial domain overlapping with that of the metric type II radio bursts. The type II bursts were associated with generally weak flares (mostly B and C class soft X-ray flares), but the CMEs were quite energetic. Using CME data for a set of type II bursts during the declining phase of solar cycle 23, we determine the CME height when the type II bursts start, thus giving an estimate of the heliocentric distance at which CME-driven shocks form. This distance has been determined to be approximately 1.5Rs (solar radii), which coincides with the distance at which the Alfv?n speed profile has a minimum value. We also use type II radio observations from STEREO/WAVES and Wind/WAVES observations to show that CMEs with moderate speed drive either weak shocks or no shock at all when they attain a height where the Alfv?n speed peaks (?3Rs ? 4Rs). Thus the shocks seem to be most efficient in accelerating electrons in the heliocentric distance range of 1.5Rs to 4Rs. By combining the radial variation of the CME speed in the inner corona (CME speed increase) and interplanetary medium (speed decrease) we were able to correctly account for the deviations from the universal drift-rate spectrum of type II bursts, thus confirming the close physical connection between type II bursts and CMEs. The average height (approximately 1.5 Rs) of STEREO CMEs at the time of type II bursts is smaller than that (2.2 Rs) obtained for SOHO (Solar and Heliospheric Observatory) CMEs. We suggest that this may indicate, at least partly, the density reduction in the corona between the maximum and declining phases, so a given plasma level occurs closer to the Sun in the latter phase. In two cases, there was a diffuse shock-like feature ahead of the main body of the CME, indicating a standoff distance of 1Rs - 2Rs by the time the CME left the LASCO field of view

High rates of undiagnosed and uncontrolled hypertension upon a screening campaign in rural Rwanda: A cross-sectional study

BACKGROUND: Hypertension remains the major risk factor for cardiovascular diseases (CVDs) worldwide with a prevalence and mortality in low- and middle-income countries (LMICs) among the highest. The early detection of hypertension risk factors is a crucial pillar for CVD prevention. DESIGN AND METHOD: This cross-sectional study included 4284 subjects, mean age 46 ± 16SD, 56.4% females and mean BMI 26.6 ± 3.7 SD. Data were collected through a screening campaign in rural area of Kirehe District, Eastern of Rwanda, with the objective to characterize and examine the prevalence of elevated blood pressure (BP) and other CVD risk factors. An adapted tool from the World Health Organization STEPwise Approach was used for data collection. Elevated BP was defined as ≥ 140/90 mm/Hg and elevated blood glucose as blood glucose ≥ 100 mg/dL after a 6-h fast. RESULTS: Of the sampled population, 21.2% (n = 910) had an elevated BP at screening; BP was elevated among individuals not previously known to have HTN in 18.7% (n = 752). Among individuals with a prior diagnosis of HTN, 62.2% (n = 158 of 254) BP was uncontrolled. Age, weight, smoking, alcohol history and waist circumference were associated with BP in both univariate analyses and multivariate analysis. CONCLUSION: High rates of elevated BP identified through a health screening campaign in this Rwandan district were surprising given the rural characteristics of the district and relatively low population age. These data highlight the need to implement an adequate strategy for the prevention, diagnosis, and control of HTN that includes rural areas of Rwanda as part of a multicomponent strategy for CVD prevention

Catalogue of the geological effects of earthquakes in Spain based on the ESI-07 macroseismic scale: A new database for seismic hazard analysis

This paper summarizes the content and scope of the “Catalogue of Earthquake Geological Effects in Spain”. The catalogue has been published by the Geological Survey of Spain (IGME) and constitutes the first official publication (in Spain) on seismic hazard containing geological information. The catalogue gathers the 51 stronger earthquakes that have occurred in Spain since the Neolithic period to the present and classifies earthquakes with geological or archaeological seismic records in paleoseismic, ancient, historical and instrumental earthquakes. The catalogue offers a variety of parametric information, quality indexes (Qe, Qi, Qg), and Environmental Seismic Intensity Scale (ESI-07) based description of environmental damage structured in individual “event files”. Sixteen of the 51 catalogued events present full information files (full event files), with individualized analyses of the geological and geoarchaeological data as well as graphic information with hybrid ESI-EMS intensity maps, ShakeMaps (seismic scenarios) and complementary kmz files (Google Earth) for each of the sixteen selected earthquakes; among which is the well-known AD 1755 Lisbon earthquake-tsunami. These selected earthquakes present individual environmental earthquake effects (EEE) or earthquake archaeoseismological effects (EAE) files for each catalogued effect containing specific site geo-information and graphic data (photos, graphs, maps, etc.). The second edition of the catalogue record 1027 EEEs and 187 EAEs, of which 322 effects have individual filesThis research was funded by the Spanish Research Project MINECO-FEDER CGL2015-67169-P (QTECSPAIN-USAL). This is contribution of the QTECT-AEQUA Working Group

Theory of the "honeycomb chain-channel" reconstruction of Si(111)3x1

First-principles electronic-structure methods are used to study a structural model for Ag/Si(111)3x1 recently proposed on the basis of transmission electron diffraction data. The fully relaxed geometry for this model is far more energetically favorable than any previously proposed, partly due to the unusual formation of a Si double bond in the surface layer. The calculated electronic properties of this model are in complete agreement with data from angle-resolved photoemission and scanning tunneling microscopy.Comment: 4 pages, 4 figures, submitted to Phys. Rev. Lett (the ugly postscript error on page 4 has now been repaired

Sharp Trace Hardy-Sobolev-Maz'ya Inequalities and the Fractional Laplacian

In this work we establish trace Hardy and trace Hardy-Sobolev-Maz'ya inequalities with best Hardy constants, for domains satisfying suitable geometric assumptions such as mean convexity or convexity. We then use them to produce fractional Hardy-Sobolev-Maz'ya inequalities with best Hardy constants for various fractional Laplacians. In the case where the domain is the half space our results cover the full range of the exponent $s \in (0,1)$ of the fractional Laplacians. We answer in particular an open problem raised by Frank and Seiringer \cite{FS}.Comment: 42 page