Prediction of biological activity of compounds containing a 1,3,5-triazinyl sulfonamide scaffold by artificial neural networks using simple molecular descriptors.

Simple molecular descriptors of extensive series of 1,3,5-triazinyl sulfonamide derivatives, based on the structure of sulfonamides and their physicochemical properties, were designed and calculated. These descriptors were successfully applied as inputs for artificial neural network (ANN) modelling of the relationship between the structure and biological activity. The optimized ANN architecture was applied to the prediction of the inhibition activity of 1,3,5-triazinyl sulfonamides against human carbonic anhydrase (hCA) II, tumour-associated hCA IX, and their selectivity (hCA II/hCA IX).

Optical density of states near planar ENZ materials.

We study the local density of optical states (LDOS) for lossy dielectric substrates whose electric permittivity has a vanishing real part, approaching zero from the positive side of the real axis. A criterion for evaluating the threshold height above (below) which radiative (non-radiative) processes dominate for a dipole emitter is established. We focus on the case of a vertical dipole above the ϵ-near-zero (ENZ) substrate and show that, in the lossless case, complete LDOS cancellation originates from radiative modes in its near field. We evaluate the performance of commercially available ENZ materials and quantify the limits of such cancellation effects with the intrinsic losses of the substrate.

Evaluation and handling of constipation in critical patients. / Evaluación y abordaje del estreñimiento en el paciente crítico.

OBJECTIVE: To evaluate the effectiveness of nursing care against constipation and to identify, analyze and evaluate causes and consequences. METHODOLOGY: Observational, descriptive and prospective study in polyvalent ICU tertiary hospital (2013-2015). INCLUSION CRITERIA: >18 years, stay >7 days, connected to respiratory support, with nasogastric tube and enteral or mixed nutrition. Patients with gastrointestinal pathology, encephalopathic and jejunostomy/ileostomy were excluded. The studied variables (age, sex, weight, height, pathology, medical treatment, nutrition and volume type, depositional characteristics, quantity and frequency, corrective measures and complications) were collected by ad hoc grill. It is authorized by the CEIC. RESULTS: 139 patients with a mean age of 62 years and average stay of 11 days were analyzed; 63% suffered from constipation. Opiates and antacid were the drugs administered most frequently (99%), even though patients who took muscle relaxants, iron supplements and/or calcium and anti-hypertensive were the ones who suffered most from constipation (77%; 75%; 70%) The fiber free diet was the most widely used (60% constipated), followed by dietary fiber (51% constipated), and the combination of both (85% constipated). 56% used laxatives as a corrective measure, Magnesium Hydroxide being the most widely used; 54% began the first day. Gastric retention was the most relevant complication (49%). CONCLUSION: Constipation is a real multifactorial problem. We recommend: • Intensified surveillance in patients with drugs that promote constipation. • Use high-fiber diets from the outset. • Apply laxatives and prokinetics early and in combination. We need to create a protocol for prophylaxis and management of constipation.

Risk Factors Associated With Early Invasive Pulmonary Aspergillosis in Kidney Transplant Recipients: Results From a Multinational Matched Case-Control Study.

Risk factors for invasive pulmonary aspergillosis (IPA) after kidney transplantation have been poorly explored. We performed a multinational case-control study that included 51 kidney transplant (KT) recipients diagnosed with early (first 180 posttransplant days) IPA at 19 institutions between 2000 and 2013. Control recipients were matched (1:1 ratio) by center and date of transplantation. Overall mortality among cases was 60.8%, and 25.0% of living recipients experienced graft loss. Pretransplant diagnosis of chronic pulmonary obstructive disease (COPD; odds ratio [OR]: 9.96; 95% confidence interval [CI]: 1.09-90.58; p = 0.041) and delayed graft function (OR: 3.40; 95% CI: 1.08-10.73; p = 0.037) were identified as independent risk factors for IPA among those variables already available in the immediate peritransplant period. The development of bloodstream infection (OR: 18.76; 95% CI: 1.04-339.37; p = 0.047) and acute graft rejection (OR: 40.73, 95% CI: 3.63-456.98; p = 0.003) within the 3 mo prior to the diagnosis of IPA acted as risk factors during the subsequent period. In conclusion, pretransplant COPD, impaired graft function and the occurrence of serious posttransplant infections may be useful to identify KT recipients at the highest risk of early IPA. Future studies should explore the potential benefit of antimold prophylaxis in this group.

Thin-layer voltammetry of soluble species on screen-printed electrodes: proof of concept.

Thin-layer diffusion conditions were accomplished on screen-printed electrodes by placing a controlled-weight onto the cast solution and allowing for its natural spreading. The restricted diffusive conditions were assessed by cyclic voltammetry at low voltage scan rates and electrochemical impedance spectroscopy. The relationship between the weight exerted over the drop and the thin-layer thickness achieved was determined, in such a way that the simple experimental set-up designed for this work could be developed into a commercial device with variable control of the thin-layer conditions. The experimental results obtained resemble those reported for the voltammetric features of electroactive soluble species employing electrodes modified with carbon nanotubes or graphene layers, suggesting that the attainment of the benefits reported for these nanomaterials could be done simply by forcing the solution to spread over the screen-printed electrodic system to form a thin layer solution. The advantages of thin-layer voltammetry in the kinetic characterization of quasi-reversible and irreversible processes are highlighted.

The radiologist's role in child abuse: imaging protocol and differential diagnosis. / El papel del radiólogo ante el niño maltratado. Protocolo de imagen y diagnóstico diferencial.

Child abuse or nonaccidental trauma is a major problem worldwide; in Spain, there are about 12,000 victims per year. The detection of specific lesions or findings that are incongruent with the reported mechanism of trauma mean that radiologists are often the physician responsible for sounding the alarm in cases of abuse. The triad consisting of subdural hematoma, metaphyseal fracture, and posterior rib fractures is very characteristic of the battered child syndrome. The finding of acute and chronic lesions in the same patient is highly specific for nonaccidental trauma. Fractures of long bones in patients who have yet begun to walk should also alert to possible child abuse. Lesions that are highly specific for abuse, such as classic metaphyseal fractures or posterior rib fractures, can be difficult to demonstrate radiographically and are usually clinically occult. The American College of Radiology (ACR) protocols recommend obtaining three separate X-rays of each upper and lower limb. It is important to use X-ray systems that give high resolution images with low kilovoltage (50-70 kvp) and appropriate milliamperage. A skeletal survey consisting of a series of images collimated to each body region is recommended for all children under the age of two years in whom abuse is suspected. A follow-up skeletal survey about two weeks after the initial survey is useful for detecting new fractures and for assessing the consolidation of others, which helps in dating the lesions. Head injuries are the leading cause of death in abused children. Although computed tomography is the first neuroimaging technique in nonaccidental trauma, magnetic resonance imaging of the head can better characterize the lesions seen on computed tomography and can help to estimate the age of the lesions.

Identification of TEM-135 ß-lactamase in Neisseria gonorrhoeae strains carrying African and Toronto plasmids in Argentina.

One hundred forty-three penicillinase-producing Neisseria gonorrhoeae (PPNG) isolates obtained in Argentina from 2008 and 2012 were examined to detect blaTEM-135 genes and to investigate plasmid profiles and multiantigen sequence types. Forty-two PPNG isolates were found to carry TEM-135, and two contained a new TEM derivative characterized as TEM-220. The blaTEM-135 allele was carried by the Toronto/Rio and African plasmids. Molecular epidemiology revealed that two blaTEM-135 isolates were related to previously described isolates from Thailand and China, indicating a common evolutionary origin.

Spatial Patterns of Dissipative Polariton Solitons in Semiconductor Microcavities.

We report propagating bound microcavity polariton soliton arrays consisting of multipeak structures either along (x) or perpendicular (y) to the direction of propagation. Soliton arrays of up to five solitons are observed, with the number of solitons controlled by the size and power of the triggering laser pulse. The breakup along the x direction occurs when the effective area of the trigger pulse exceeds the characteristic soliton size determined by polariton-polariton interactions. Narrowing of soliton emission in energy-momentum space indicates phase locking between adjacent solitons, consistent with numerical modeling which predicts stable multihump soliton solutions. In the y direction, the breakup originates from inhomogeneity across the wave front in the transverse direction which develops into a stable array only in the solitonic regime via phase-dependent interactions of propagating fronts.

Nonlocal nonlinear refraction in Hibiscus sabdariffa with large phase shifts.

In this work we present a study of nonlinear optical properties in organic materials (hibiscus sabdariffa). Our results demonstrate that the medium exhibits a highly nonlocal nonlinear response. We show preliminary numerical results of the transmittance as nonlocal response by considering, simultaneously, the nonlinear absorption and refraction in media. Numerical results are accord to measurement obtained by Z- scan technique where we observe large phase shifts. We also analyze the far field diffraction ring patterns of the sample.

Surface plasmon polariton Wannier-Stark ladder.

The propagation of a surface plasmon polariton on a planar metal surface perturbed by N equally spaced rectangular grooves, each with the same width but with varying depths, is investigated by the finite-difference time-domain method. For a linear dependence of the depth of the nth groove on n, the transmissivity of the surface plasmon polariton and of the power radiated into the vacuum above the surface, as functions of its frequency, consist of N equally spaced dips and peaks, respectively. These are the signatures of the surface plasmon polariton analog of a Wannier-Stark ladder.

Effects of spin-dependent interactions on polarization of bright polariton solitons.

We report on the spin properties of bright polariton solitons supported by an external pump to compensate losses. We observe robust circularly polarized solitons when a circularly polarized pump is applied, a result attributed to phase synchronization between nondegenerate TE and TM polarized polariton modes at high momenta. For the case of a linearly polarized pump, either σ+ or σ- circularly polarized bright solitons can be switched on in a controlled way by a σ+ or σ- writing beam, respectively. This feature arises directly from the widely differing interaction strengths between co- and cross-circularly polarized polaritons. In the case of orthogonally linearly polarized pump and writing beams, the soliton emission on average is found to be unpolarized, suggesting strong spatial evolution of the soliton polarization. The observed results are in agreement with theory, which predicts stable circularly polarized solitons and unstable linearly polarized solitons.

Uric acid and acute kidney injury in high-risk patients for developing acute kidney injury undergoing cardiac surgery: A prospective multicenter study.

PURPOSE: It is unclear whether preoperative serum uric acid (SUA) elevation may play a role in the development of acute kidney injury (AKI) associated with cardiac surgery (CSA-AKI). We conducted a cohort study to evaluate the influence of preoperative hyperuricemia on AKI in patients at high risk for developing SC-AKI. DESIGN: Multicenter prospective international cohort study. SETTING: Fourteen university hospitals in Spain and the United Kingdom. PARTICIPANTS: We studied 261 consecutive patients at high risk of developing CSA-AKI, according to a Cleveland score ≥ 4 points, from July to December 2017. INTERVENTIONS: None. MEASUREMENTS AND MAIN RESULTS: AKIN criteria were used for the definition of AKI. Multivariable logistic regression models and propensity score-matched pairwise analysis were used to determine the adjusted association between preoperative hyperuricemia (≥7 mg/dL) and AKI. Elevated preoperative AUS (≥7 mg/dL) was present in 190 patients (72.8%), whereas CSA-AKI occurred in 145 patients (55.5%). In multivariable logistic regression models, hyperuricemia was not associated with a significantly increased risk of AKI (adjusted Odds Ratio [OR]: 1.58; 95% confidence interval [CI]: 0.81-3; P = .17). In propensity score-matched analysis of 140 patients, the hyperuricemia group experienced similar adjusted odds of AKI (OR 1.05, 95%CI 0.93-1.19, P = .37). CONCLUSIONS: Hyperuricemia was not associated with an increased risk of AKI in this cohort of patients undergoing cardiac surgery at high risk of developing CSA-AKI.

ERCC1 is a prognostic biomarker in locally advanced head and neck cancer: results from a randomised, phase II trial.

BACKGROUND: Cisplatin-radiotherapy is a preferred standard for locally advanced, head and neck squamous cell carcinoma (HNSCC). However, the cisplatin-attributable survival benefit is small and toxicity substantial. A biomarker of cisplatin resistance could guide treatment selection and spare morbidity. The ERCC1-XPF nuclease is critical to DNA repair pathways resolving cisplatin-induced lesions. METHODS: In a phase II trial, patients with untreated Stage III-IVb HNSCC were randomised to cisplatin-radiotherapy with/without erlotinib. Archived primary tumours were available from 90 of 204 patients for this planned substudy. Semi-quantitative ERCC1 protein expression (H-score) was determined using the FL297, 4F9, and 8F1 antibodies. The primary analysis evaluated the relationship between continuous ERCC1 protein expression and progression-free survival (PFS). Secondary analyses included two pre-specified ERCC1 cutpoints and performance in HPV-associated disease. RESULTS: Higher ERCC1 expression was associated with inferior PFS, as measured by the specific antibodies FL297 (HR=2.5, 95% CI=1.1-5.9, P=0.03) and 4F9 (HR=3.0, 95% CI=1.2-7.8, P=0.02). Patients with increased vs decreased/normal ERCC1 expression experienced inferior PFS (HR=4.8 for FL297, P=0.003; HR=5.5 for 4F9, P=0.007). This threshold remained prognostic in HPV-associated disease. CONCLUSION: ERCC1-XPF protein expression by the specific FL297 and 4F9 antibodies is prognostic in patients undergoing definitive cisplatin-radiotherapy for HNSCC, irrespective of HPV status.

Exciton-polariton gap solitons in two-dimensional lattices.

We report on the two-dimensional gap-soliton nature of exciton-polariton macroscopic coherent phases (PMCP) in a square lattice with a tunable amplitude. The resonantly excited PMCP forms close to the negative mass M point of the lattice band structure with energy within the lattice band gap and its wave function localized within a few lattice periods. The PMCPs are well described as gap solitons resulting from the interplay between repulsive polariton-polariton interactions and effective attractive forces due to the negative mass. The solitonic nature accounts for the reduction of the PMCP coherence length and optical excitation threshold with increasing lattice amplitude.

Comparison between lung ultrasonography and chest X-ray in the evaluation of neonatal respiratory distress syndrome.

PURPOSE: Respiratory distress syndrome (RDS), also known as hyaline membrane disease, is the most common clinical syndrome encountered among preterm infants, and the complications of the disease account for substantial mortality. Diagnosis of RDS is based on the clinical status of patients in correlation with laboratory parameters and chest X-ray. Lung ultrasound despite its wide use still is not incorporated into diagnostic algorithms. The aim of the study was to evaluate the diagnostic ability of lung ultrasound in diagnosing respiratory distress syndrome as well as in the monitoring of the response to treatment. A secondary aim was to propose a modified ultrasound grading scale. METHODS: The prospective study included 150 neonates with clinical and radiographic signs of neonatal respiratory distress syndrome within the first 24 h of life, with different gestational age (≤ 35 weeks). Lung ultrasound was performed by two radiologists and correlated with a chest X-ray. Two gradation scales (ultrasound and X-ray) were compared and each scale was correlated with the patient's clinical data. RESULTS: In comparison between ultrasound findings and X-ray results showed a statistically significant difference in a favor of ultrasound. Based on the presence of subpleural consolidations, further differentiation of ultrasound profiles were made into subgroups and new ultrasound classification have been proposed. CONCLUSION: Our study showed that lung ultrasound enables the diagnosing of respiratory distress syndrome in premature neonates and also shows a significant correlation with chest X-ray, which is considered as a radiological method of choice for the diagnosis of RDS.

Dynamic of total internal reflection (2+1)D bright beams on photorefractive SBN61:Ce crystal.

We study experimentally and numerically the transient behavior of a (2+1)D beam when it is totally reflected by nonlinear interface formed by SBN61:Ce photorefractive crystal. The dynamics give rise to observation of new beams. Due to modulation instability of the beam, the nonlinear interface stimulates the break of the beam into new beams that are reflected to different angles.

[Ichthyc biodiversity of seagrass meadows from the Northwest coast of Cariaco Gulf, Venezuela]. / Biodiversidad íctica de praderas de pasto marino de la costa noroeste del Golfo de Cariaco, Venezuela.

Seagrasses are highly productive coastal ecosystems with a high diversity and abundance of fishes, very important to support artisanal fisheries. We analyzed the fish community structure of Thalassia testudinum in the communities of Manzanillo (M) and La Brea (LB), Northwest coast of Cariaco Gulf, Venezuela. Samples were taken monthly (Nov. 2006-Oct. 2007) from each place, using a beach net. A total of 34 810 fishes were captured, grouped into 13 orders, 36 families and 83 species. In both areas (M and LB), the number of species was similar, but a variation in their abundance was found: a total of 55 species and 13 210 organisms for M, and 58 species and 21 600 organisms for LB. The most abundant species and those with the highest biomasses in both areas were: Nicholsina usta, Haemulon boschmae, H. steindachneri, Harengula jaguana, Halichoeres bivittatus and Hemiramphus brasiliensis. The occasional visitors were the most frequent community components with a 59%, the cyclical and permanent residents were represented by the 22% and 19%, respectively. The H'n average for M was of 1.71+/-0.64bits/ind., while for LB was of 1.95+/-0.51bits/ind. The diversity values were directly related to the evenness and inversely related to the dominance. The low values of similarity indexes among localities allow us to assert that these fish communities are dissimilar, because of the structure of each Thalassia meadow and their connectivity with other systems.

Chemomodulatory potential of Glycine max against murine skin and cervical papillomagenesis.

In the present study, chemopreventive potential of Glycine max (G. Max) seeds was examined against DMBA-induced skin and MCA-induced cervical papillomagenesis in Swiss albino mice. Different doses (2.5, 5, and 7.5% w/w) of G. max were provided to animals in feed. Results exhibited a significant reduction in skin as well as cervical tumor incidence and tumor multiplicity (up to 75%) at all doses of test diet as compared to the control. Relatively, 7.5% test diet was most effective in protecting the animals against carcinogenesis. Further, detoxifying enzymes and antioxidative status was also evaluated in the liver of mice to understand the role of G. max in prevention of cancer. It was observed that the test diet containing G. max significantly elevated the specific activities of glutathione-S-transferase (GST), DT-diaphorase (DTD), superoxide dismutase (SOD), catalase (CAT), and glyoxalase I (Gly I). The test diet also elevated the content of reduced glutathione whereas it decreased the level of the peroxidative damage along with the specific activity of lactate dehydrogenase. It appeared that G. max seeds provided chemoprevention against skin and cervical papillomagenesis probably by modulating the detoxifying and antioxidative enzymes. It could be inferred that intake of G. max might help in reducing the risk of cancer.

A new cotton functionalized with iron(III) trimer-like metal framework as an effective strategy for the adsorption of triarylmethane dye: An insight into the dye adsorption processes.

A new Cotton@Fe-BTC composite formed by Fe-BTC (BTC-H3: trimesic acid) metal framework (Fe-BTC MOF loading as high 38 wt %) supported by cellulose fiber is synthesized in aqueous media using a simple and green preparation method, described for the first time in this manuscript. This new strategy relies on the synergetic effect of the pure cellulose and MOFs frameworks resulting in hybrid nanofibers of MOFs@cellulose composite. A complete characterization of the composite material reveals its structural similarity to MIL-100(Fe), a Fe-BTC material. The Cotton@Fe-BTC composite potential use as an eco-friendly and low-cost adsorbent was evaluated for its adsorptive performance for the removal of dye belonging to the triarylmethane dye family (Malachite Green (MQ), Brilliant Green (BG), Pararosaniline (PR), Basic Fuchsine (BF), Crystal Violet (CV), Methyl Green (Met-G), Victoria Blue B (VB), Acid Fuchsin (AF) and Aniline Blue (AB)) in aqueous solution. The fast kinetics and high dye removal efficiencies (>90%) obtained in aqueous solutions. The structure of Cotton@Fe-BTC network, contributed to the remarkable adsorption properties towards a variety of triphenylmethanedye. The interparticle studies showed two main steps in the dye adsorption processes, with the exception of AF and BG. The equilibrium adsorption capacities qe (mg/g) follow the order: AF (3.64)