A Spectroscopic Description of Asymmetric Isotopologues of CO2.

A polyad-conserving algebraic model applied to vibrational excitations of asymmetric isotopologues of CO2 is presented. First, the problem of vibrational excitations is studied by taking into account only the minimum subspace of states to characterize the Fermi interaction. This analysis allows an estimation of the force constants as well as the feasibility of describing the system in a local mode scheme, in terms of SU(2) operators associated with Morse ladder operators for the stretches. This description together with the algebraic U(3) for the bends establishes the dynamical group SU1(2) × U(3) × SU2(2) for a series of isotopologues. Six isotopologues are considered, namely, 16O12C18O, 16O12C17O, 16O13C18O, 16O13C17O, 17O13C18O, and 17O12C18O in their electronic ground states. For isotopologues 16O12C18O, 16O12C17O, 17O12C18O, and 16O13C18O, the vibrational description was carried out using a Hamiltonian involving 14 parameters. For this series of isotopologues with a number of energy terms 90, 57, 42, and 40, the deviations obtained were rms = 0.15, 0.10, 0.06, and 0.07 cm-1, respectively. For 16O13C17O, with 28 experimental energies and involving 13 parameters, the deviation was rms = 0.05 cm-1, while for 17O13C18O, a different strategy was proposed since only 12 experimental energy levels. In all cases, the polyad scheme P212 = 2(ν1 + ν3) + ν2 was considered. In addition, a new criterion of locality/normality degree is proposed, embracing the case of molecules with normal mode behavior, in particular, the isotopologues of CO2.

Effects of low nitrogen supply on biochemical and physiological parameters related to nitrate and water, involving nitrate transporters and aquaporins in Citrus macrophylla.

A reduction in chemical N-based fertillizer was investigated in Citrus plants. As N and water uptake are connected, the relationship between the physiological response to reductions in N was studied in relation to N metabolism and water. We examined the response of new and mature leaves and roots of Citrus macrophylla, grown under controlled conditions, and given different concentrations of N: 16, 8 or 4 mM. Differences in growth and development were determined for biochemical (mineral content, photosynthetic pigments, proteins and nitrate and nitrite reductase activity), physiological (photosynthesis and transpiration), and molecular (relative expression of nitrate transporters and aquaporins) parameters. Only plants given 4 mM N showed a reduction in growth. Although there were changes in NR activity, protein synthesis, and chlorophyll content in both 8 and 4 mM N plants that were highly related to aquaporin and nitrate transporter expression. The results revealed new findings on the relationship between aquaporins and nitrate transporters in new leaves of Citrus, suggesting a mechanism for ensuring growth under low N when new tissues are being formed.

General Purpose Transistor Characterized as Dosimetry Sensor of Proton Beams.

A commercial pMOS transistor (MOSFET), 3N163 from Vishay (USA), has been characterized as a low-energy proton beam dosimeter. The top of the samples' housing has been removed to guarantee that protons reached the sensitive area, that is, the silicon die. Irradiations took place at the National Accelerator Centre (Seville, Spain). During irradiations, the transistors were biased to improve the sensitivity, and the silicon temperature was monitored activating the parasitic diode of the MOSFET. Bias voltages of 0, 1, 5, and 10 V were applied to four sets of three transistors, obtaining an averaged sensitivity that was linearly dependent on this voltage. In addition, the short-fading effect was studied, and the uncertainty of this effect was obtained. The bias voltage that provided an acceptable sensitivity, (11.4 ± 0.9) mV/Gy, minimizing the uncertainty due to the fading effect (-0.09 ± 0.11) Gy was 1 V for a total absorbed dose of 40 Gy. Therefore, this off-the-shelf electronic device presents promising characteristics as a dosimeter sensor for proton beams.

Bioremoval of copper by filamentous fungi isolated from contaminated soils of Puchuncaví-Ventanas Central Chile.

Pollution represents a high risk to plants, animals, and human beings, causing an imbalance and affecting the environment. Soil is considered a universal sink, containing the highest load of environmental pollution. Puchuncaví-Ventanas sector, decreed as a saturated contamination zone in 1993, is considered one of the most affected areas by industrial pollution and belongs to one of the 5 sacrifice zones of Chile. The localities of Puchuncaví and Ventanas have heavy metal pollution levels that exceed up to 99% of the limits allowed by Canadian standards. The objective of this study was to characterize heavy metal tolerance and removal potential of filamentous fungi isolated from polluted soils for their use in decontamination systems and in situ soil improvement. Six fungal strains were selected based on their tolerance and a high capability to accumulate heavy metals, achieving copper bioaccumulation of 84% (Mortierella sp. strain LG01), 49% (Clonostachys sp. strain CQ23) and 48-77.5% (Trichoderma sp. strain LM01A). Trichoderma sp. strain LM01A was able to remove 41% of copper from contaminated soil under ex situ conditions. Some fungal strains belong to beneficial fungal genera, which are used as bioproducts in agriculture. The results of this study highlighted the use of Trichoderma sp. in soils contaminated, which may be of special interest in agriculture due to the large amounts of copper sulfate still applied as a pesticide in Chile and the world.

Autopercepción y uso de suplementos nutricionales en usuarios de gimnasios / Self-Perception and Use of Nutritional Supplements in Gym Users

La insatisfacción con la imagen corporal puede desencadenar preocupación excesiva por la estética conduciendo a una utilización indiscriminada de suplementos nutricionales. Por ello, el objetivo de este estudio fue investigar la relación entre percepción y conformidad de imagen corporal al uso de suplementos nutricionales en usuarios regulares de gimnasios de la región del Biobío, Chile. La investigación corresponde a un estudio analítico transversal realizado en el segundo semestre del año 2018, en el que participaron 262 personas mayores de 18 años. Se observó una asociación estadísticamente significativa entre el uso de suplementos nutricionales y la percepción de la imagen corporal (OR 0,58, IC95%0,34–0,98; p=0,045), y entre el uso de suplementos nutricionales y la conformidad con la imagen corporal (OR 0,43, IC95%0,25–0,75; p=0,003). En conclusión, a mayor disconformidad con la imagen corporal o la presencia de una percepción alterada de ésta, mayor es la probabilidad de consumir suplementos nutricionales. (AU)

Dissatisfaction with body image can trigger excessive concern for aesthetics aspects leading to indiscriminate use of nutritional supplements. Therefore, the objective of this study was to investigate the relationship between the perception and conformity of body image with the use of nutritional supplements in regular users of gyms in the Biobío region, Chile. The research corresponds to a cross-sectional analytical study conducted in the second half of the year 2018, in 262 participants over 18 years old. A statistically significant association between the use of nutritional supplements and the perception of body image (OR 0.58, 95% CI 0.34–0.98; p = 0.045), and between the use of nutritional supplements and conformity with body image (OR 0.43, 95% CI 0.25-0.75; p = 0.003) were observed. In conclusion, to greater disagreement with body image or the presence of an altered perception of it, more likely to consume nutritional supplements. (AU)

First case of within-host co-infection of different SARS-CoV-2 variants in Ecuador.

Background: COVID-19 infection caused by severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) can cause mild symptoms to severe illness and death. Co-infections of SARS-CoV-2 with other respiratory viruses have been described. However, two SARS-CoV-2 lineage co-infection have been rarely reported. Methodology: A genotyping analysis and two different types of whole genome sequencing were performed (Illumina MiniSeq and ONT MinION). When examining the phylogenetic analysis in NextClade and Pangolin webservers, and considering the genotyping findings, conflicting results were obtained. Results: The raw data of the sequencing was analyzed, and nucleotide variants were identified between different reads of the virus genome. B.1 and P.1 lineages were identified within the same sample. Conclusions: We concluded that this is a co-infection case with two SARS-CoV-2 lineages, the first one reported in Ecuador.

Approaching the isotropic spin-ladder regime: structure and magnetism of all-pyrazine-bridged copper(II)-based antiferromagnetic ladders.

The crystal structure and magnetic properties of two all-pyrazine-bridged antiferromagnetic spin ladders are reported. The complexes, catena-(bis(3-X-4-pyridone)(µ-pyrazine)copper(II)(-µ-pyrazine)diperchlorate ([Cu(pz)1.5(L)2](ClO4)2 where L = 3-X-4-pyridone and X = Br (1) or Cl (2)), contain copper(II)-based ladders in which both the rung and rail bridges are pyrazine molecules bonded through the x2-y2 orbital of the copper(II) ions. This structural scaffold is proposed to approach the isotropic spin-ladder regime. 1 and 2 crystallize in the monoclinic space group P21/c. Due to the bulk of the 3-X-4-HOpy ligands, the ladders are well isolated in the a-direction (1, 15.6 Å; 2, 15.5 Å). The ladders, which run in the b-direction, are stacked in the c-direction with the separation (1, 7.87 Å; 2, 7.82 Å) between copper(II) ions caused by the bulk of a semi-coordinate perchlorate ion coordinated in the axial position. Computational evaluation of magnetic JAB couplings between Cu-moieties of 2 supports the experimentally proposed magnetic topology and agrees with an isolated isotropic spin-ladder (Jrail = -4.04 cm-1 (-5.77 K) and Jrung = -3.89 cm-1 (-5.56 K)). These complexes introduce a convenient scaffold for synthesizing isotropic spin-ladders with modest superexchange interactions, the strength of which may be tuned by variations in L. The magnetic susceptibility down to 1.8 K, for both compounds, is well described by the strong-rung ladder model giving nearly isotropic exchange with Jrung ≈ Jrail ≈ -5.5 K (1) and -5.9 K (2) using the Hamiltonian. Theoretical simulations of the magnetic response of 2 using the isotropic ladder model are in excellent agreement with experiment. The measured magnetization to 5 T indicates a quantum-dominated magnetic spectrum. Again, calculated lower and saturation (4.3 and 24 T, respectively) critical fields for 2 are consistent with experimental measurements, and magnetization data at very low temperatures indeed suggest the presence of quantum effects. Further, the computational study of short- and long-range spin ordering indicates that a 2D-to-3D crossover might be feasible at lower temperatures. Analysis of the Boltzmann population corroborates the presence of accessible triplet states above the singlet ground state enabling the aforementioned 2D-to-3D crossover.

Smart facemask for wireless CO2 monitoring.

The use of facemasks by the general population is recommended worldwide to prevent the spread of SARS-CoV-2. Despite the evidence in favour of facemasks to reduce community transmission, there is also agreement on the potential adverse effects of their prolonged usage, mainly caused by CO2 rebreathing. Herein we report the development of a sensing platform for gaseous CO2 real-time determination inside FFP2 facemasks. The system consists of an opto-chemical sensor combined with a flexible, battery-less, near-field-enabled tag with resolution and limit of detection of 103 and 140 ppm respectively, and sensor lifetime of 8 h, which is comparable with recommended FFP2 facemask usage times. We include a custom smartphone application for wireless powering, data processing, alert management, results displaying and sharing. Through performance tests during daily activity and exercise monitoring, we demonstrate its utility for non-invasive, wearable health assessment and its potential applicability for preclinical research and diagnostics.

Aumento de la lipocalina orosomucoide-1 (ORM1) en sujetos con hiperaldosteronismo primario / Increase of lipocalin ORM1 in primary aldosteronism

El hiperaldosteronismo primario (HAP) es la causa más común de hipertensión arterial secundaria. A pesar de la prevalencia del HAP (6-10%) y sus consecuencias, los mecanismos que median los efectos deletéreos renales y extrarenales originados por la aldosterona más allá de la hipertensión arterial (ej. inflamación renal, alteraciones cardiacas y disfunción vascular), siguen siendo poco conocidos. Estudios previos sugieren que el exceso de aldosterona aumentaría proteínas sensibles a la activación del receptor de mineralocorticoides (MR), como las lipocalinas LCN2 (NGAL) y ORM1. OBJETIVO: Determinar la concentración de las lipocalinas ORM1, NGAL y NGAL-MMP9 en sujetos HAP. SUJETOS Y MÉTODOS: Estudio de cohorte transversal en sujetos adultos (similares en sexo, edad e IMC) separados en controles normotensos (CTL), hipertensos esenciales (HE) y con screening positivo de HAP (aldosterona ≥9 ng/dL y ARP < 1 ng/mL*h acorde a las guías internacionales de HAP). Se determinó la presión arterial sistólica (PAS) y diastólica (PAD), aldosterona plasmática, actividad renina plasmática (ARP) y la relación aldosterona / actividad de renina plasmática (ARR). Se determinó la concentración de NGAL, NGAL-MMP9 y ORM1 en suero por ELISA. RESULTADOS: Detectamos mayores niveles de ORM1 en sujetos HAP. No se detectaron diferencias en NGAL ni NGAL-MMP9 entre los grupos. Detectamos una asociación positiva de ORM1 con ARP (rho= -0,407, p=0,012) y con ARR (rho= 0,380 p= 0,021). CONCLUSIÓN: La mayor concentración de ORM1 en sujetos HAP y las asociaciones de ORM1 con aldosterona, ARP y ARR, proponen a esta proteína como un potencial biomarcador de HAP y de utilidad en el desarrollo de algoritmos diagnósticos de HAP.

Primary hyperaldosteronism (PA) is the most common cause of secondary hypertension. Despite the prevalence of PA (6-10%) and its consequences, the mechanisms that mediate the deleterious renal and extrarenal effects caused by aldosterone beyond arterial hypertension (eg renal inflammation, cardiac alterations and vascular dysfunction), remain barely known. Previous studies suggest that excess aldosterone would increase proteins sensitive to activation of the mineralocorticoid receptor (MR), such as lipocalins LCN2 (NGAL) and ORM1. AIM: To determine the concentration of the lipocalins ORM1, NGAL and NGAL-MMP9 in PA subjects. SUBJECTS AND METHODS: Cross-sectional study in adult subjects (similar in sex, age and BMI) grouped as normotensive controls (CTL), essential hypertensive (HE) and subjects with positive PA screening (aldosterone ≥ 9 ng/dL and PRA <1 ng/mL*h, according to international PA guidelines). Systolic (SBP) and diastolic (DBP) blood pressure, plasma aldosterone, plasma renin activity (PRA), and plasma aldosterone renin ratio (ARR) were determined. The concentration of NGAL, NGAL-MMP9 and ORM1 in serum was determined by ELISA. RESULTS: We detected higher levels Recibido: 03-09-2021 of ORM1 in PA subjects. No differences in NGAL or NGAL-MMP9 were detected between the groups. We detected a positive association of ORM1 with ARP (rho = -0.407, p < 0.05) and with ARR (rho = 0.380 p <0.05). CONCLUSION: The high levels of ORM1 in PA subjects and the associations of ORM1 with aldosterone, ARP and ARR, suggest ORM1 is a potential biomarker of PA, and useful in the development of a diagnostic algorithm for PA.

The effect of process variables on the physical properties and microstructure of HOPO nanoemulsion flakes obtained by refractance window.

Refractance window (RW) drying is considered an emerging technique in the food field due to its scalability, energy efficiency, cost and end-product quality. It can be used for obtaining flakes from high-oleic palm oil (HOPO) nanoemulsions containing a high concentration of temperature-sensitive active compounds. This work was thus aimed at studying the effect of temperature, thickness of the film drying, nanoemulsion process conditions, and emulsion formulation on the flakes' physical properties and microstructure. The results showed that HOPO flakes had good physical characteristics: 1.4% to 5.6% moisture content and 0.26 to 0.58 aw. Regarding microstructure, lower fractal dimension (FDt) was obtained when RW drying temperature increased, which is related to more regular surfaces. The results indicated that flakes with optimal physical properties can be obtained by RW drying of HOPO nanoemulsions.

The effect of composition, microfluidization and process parameters on formation of oleogels for ice cream applications.

The use of oleogels is an innovative and economical option for the technological development of some food products, among them ice creams. The aim of this study was to establish the best processing conditions to obtain an emulsion which form oleogels with the lowest ζ-potential and average droplet size (ADS) for use as ice cream base. Using surface response methodology (SRM), the effects of three numerical factors (microfluidization pressure, oil and whey protein concentration, WP) and four categorical factors (oil type, temperature, surfactant, and type of WP) on formation of emulsions were assessed. The response variables were ζ, ADS, polydispersity index (PDI), viscosity (η), hardness, cohesiveness and springiness. Additionally, a numerical optimization was performed. Two ice creams containing milk cream and oleogel, respectively were compared under the optimization conditions. Results suggest oleogels obtained from the microfluidization of whey and high oleic palm oil are viable for the replacement of cream in the production of ice cream.

Revisiting the Role of Hydrogen Bonding in the Strong Dimer Superexchange of a 2D Copper(II) Halide Honeycomb-Like Lattice: Structural and Magnetic Study.

The title compound H2L(CuCl3H2O)Cl (H2L = 1-(4'-pyridinium)pyridin-4-ol-ium), 1) was synthesized and investigated structurally and magnetically as well as via a first-principles, bottom-up theoretical analysis of the potential magnetic superexchange pathways. Compound 1 can be described structurally as a well-isolated, distorted 2D-honeycomb lattice with two potential exchange pathways: a dimeric interaction via hydrogen-bonded pairs of (CuCl3H2O) ions and a chain structure via bridging chloride ions. Surprisingly, the experimental magnetic data are best fitted using both a simple dimer model with a Curie-Weiss correction for interdimer exchange (Jdimer = -107.4(1) K, θ = -1.22(4) K) and a strong-rung ladder model (Jrung = -105.8(7) K, Jrail = 2(7) K). Theoretical analysis at the UB3LYP/6-31+G(d) level supports the strong exchange observed through the [CuCl4(H2O)]2- dimer moiety superexchange pathway (-102 K = -71 cm-1). However, the apparent vanishingly small exchange through the single halide bridge is merely a brute average of competing ferromagnetic (FM) (+24.8 K = +17.0 cm-1) and antiferromagnetic (AFM) (-21.0 K = -14.6 cm-1) exchange interactions. Our computational study shows that these fitting parameters carry no physical meaning since a honeycomb plaquette must be taken as magnetic building block for 1. The competition between FM and AFM pair interactions leads to geometrical frustration in 1 and could induce interesting magnetic response at low temperatures, if the magnetic exchange is adequately tuned by modifying substituents in ligands and, in turn, interactions within the crystal packing.

Nanobiofertilization as a novel technology for highly efficient foliar application of Fe and B in almond trees.

Nanofertilization is postulated as a new technology to deal with the environmental problems caused by the intensive use of traditional fertilizers. One of the aims of this new technology is to improve foliar fertilization, which has many environmental advantages, but currently there are numerous factors that limit its efficiency. In this research, the objective was to study the potential of membrane vesicles derived from plant material as nanofertilizers of iron (Fe) and boron (B) for foliar application in almond trees (Prunus dulcis L.). The results show that the application of vesicles caused invaginations in the plasma membrane of the leaf cells. Also, the increase in leaf B and Fe was greater when these elements were applied in an encapsulated form rather than in a non-encapsulated form. The distribution of these elements in leaf tissues indicated the existence of an intracellular element transport pathway and accumulation areas, enabling greater element entry and mobility.

Estudio de frecuencia y asociación de los polimorfismos RS965513 y RS1867277 del gen FOXE1 con el carcinoma papilar de tiroides y su riesgo de recurrencia en población chilena / Frequency and association of the polymorphisms RS965513 and RS1867277 of the FOXE1 gene with papillary thyroid carcinoma and its risk of recurrence in Chilean population

Introducción: El gen FOXE1 (Forkhead box E1) codifica para un factor de transcripción involucrado en la morfogénesis tiroidea. El cáncer papilar de tiroides (CPT) se ha asociado con polimorfismos (SNP) de FOXE1 rs1867277 y rs965513 en población asiática y europea. Nuestro objetivo fue investigar la frecuencia y asociación de SNP rs1867277 y rs965513 con CPT y el riesgo de recurrencia de CPT en sujetos chilenos. Métodos: Se reclutaron sujetos con y sin CPT, se describieron sus características epidemiológicas y la forma de presentación clínica (AJCC VIII y MINSAL 2013). Se aisló ADN de leucocitos periféricos y evaluó ambos SNP mediante PCR-HRM y secuencia. Se compararon las frecuencias alélicas y genotípicas entre casos CPT y controles, y entre pacientes CPT de distintos riesgos de recurrencia. Se compararon frecuencia y se estimó el riesgo con test de Fisher y cálculo de odds-ratio (OR). Resultados: De los 184 sujetos, 156 (85%) eran mujeres, edad 39,3±12,3 años; 90 con CPT y 94 sin CPT 26 (28,9%) pacientes eran de riesgo muy bajo, 45 (50%) bajo, 16 (17,8%) intermedio y 3 (3,3%) alto según MINSAL 2013. En relación a la frecuencia de alelo menor (MAF) calculada en sujetos control y CPT, fue 31,7% y 24,5% (SNP rs965513), y 36,7% y 30,1% 8 (rs1867277), respectivamente (p NS). Tampoco fueron diferentes las MAF calculados y comparados entre pacientes con CPT de riesgo bajo e intermedio/alto. Sin embargo, la combinación de los genotipos rs1867277GG y rs965513AA se asoció a mayor riesgo de CPT. Conclusiones: En pacientes chilenos, se describe una frecuencia MAF de los SNP rs1867277 y rs965513 cercana a un 30%, las cuales no se asocian a CPT ni riesgo de recurrencia, sin embargo, sujetos con una combinación genotípica particular podrían tener mayor riesgo de CPT.

FOXE1 gene (Forkhead E1 box) codes for a transcription factor involved in thyroid morphogenesis. Papillary thyroid cancer (PTC) has been associated with FOXE1 polymorphisms (SNPs) rs1867277 and rs965513 in Asian and European population. Our aim was to investigate the frequency and the association of SNPs rs1867277 and rs965513 with PTC and the risk of recurrence of PTC in Chilean subjects. Methods: We recruited subjects with and without PTC. In those with PTC, their epidemiological characteristics and clinical features presentation are described according to AJCC VIII and MINSAL 2013 scales. Peripheral leukocyte DNA was isolated and both SNPs were evaluated using PCR-HRM and sequencing. Allelic and genotypic frequencies were compared between PTC cases and controls, and between PTC patients with different recurrence risks. Results: Of the 184 subjects, 156 (85%) were women, age 39.3 ± 12.3 years; 94 (51%) without PTC and 90 with PTC (49%): 26 (28.9%) patients had very low, 45 (50%) low, 16 (17.8%) intermediate and 3 (3.3%) high risk of recurence according to MINSAL 2013. Regarding the minor allele frequency (MAF) calculated on control and PTC subjects, was 31.7% and 24.5% (SNP rs965513), and 36.7% and 30.1% (rs1867277), respectively (p NS). In patients with PTC, MAFs were not different between patients with low and intermediate/high risk PTC. However, the combination of rs1867277GG and rs965513AA genotypes were associated with an increased risk of PTC. Conclusions: In Chilean patients, the MAF frequency of SNPs rs1867277 and rs965513 is near 30%, and they are are not associated with PTC or its risk of recurrence. However, subjects with a particular genotypic combination may have an increased risk of PTC.

Competitive Gas Phase Reactions for the Production of Isomers C2O2H4. Spectroscopic Constants of Methyl Formate.

New routes for the chemical formation of the C2O2H4 isomers in the gas phase are explored searching for a justification of the prominent astrophysical abundance of methyl formate with respect to the most stable one acetic acid. Kinetic rate constants at low temperatures are provided for eight barrierless reaction pathways. In addition, the spectroscopic parameters are computed using highly correlated ab initio methods for the main isotopologue of methyl formate and for five monosubstituted isotopologues containing 13C, 18O, and deuterium. Accurate rotational constants are obtained at the CCSD(T)-F12 level of theory. The dipole moments components are provided. Centrifugal distortion constants, rovibrational parameters, and Fermi displacements are predicted using second order perturbation theory. A variational procedure of reduced dimensionality is applied to determine band center positions for transitions corresponding to the large amplitude motions. The COC bending mode is considered explicitly as an independent coordinate to evaluate its resonances with the torsional energies. The effect of resonances is proven as negligible.

Effect of Roughness on the Dispersion of Dry Powders for Inhalation: a Dynamic Visualization Perspective.

Dry powder inhalers have attracted more interest over the years in every aspect related to them. Interestingly, when focusing on the effects of particle morphology of the active or carrier (excipient), it is generally regarded particle size and shape to influence drug availability of aerosolized particles. However, to date, few studies have examined the effect of texture, i.e., roughness, on this relationship. The main objective of the present work is to gain a closer understanding of the influence of carrier morphology on the aerosolization performance of dry powder inhaler formulations. Image analysis and microscopy were used to visualize the aerosolization process. It is considered that the scale of morphological features on the surface of the carrier particles is responsible for the dispersion of the powder formulation, separation of the drug/carrier, and entrainment from a dry powder inhaler. Thus, for this study, the carrier particles of different surface roughness were mixed with micronized salbutamol sulphate. Aerosolization in vitro testing was used to evaluate the performance. The results indicate a connection between the qualitative surface roughness of coarse carriers and aerosolization performance during powder dispersibility. This investigation demonstrated that indeed, powder dispersion, a dynamic process, is influenced by the scale of the carrier morphology.

Ab initio spectroscopic characterization of the radical CH3OCH2 at low temperatures.

Spectroscopic and structural properties of methoxymethyl radical (CH3OCH2, RDME) are determined using explicitly correlated ab initio methods. This radical of astrophysical and atmospheric relevance has not been fully characterized at low temperatures, which has delayed astrophysical research. We provide rovibrational parameters, excitations to the low energy electronic states, torsional and inversion barriers, and low vibrational energy levels. In the electronic ground state (X2A), which appears "clean" from nonadiabatic effects, the minimum energy structure is an asymmetric geometry whose rotational constants and dipole moment have been determined to be A0 = 46 718.67 MHz, B0 = 10 748.42 MHz, and C0 = 9272.51 MHz, and 1.432D (µA = 0.695D, µB = 1.215D, µC = 0.302D), respectively. A variational procedure has been applied to determine torsion-inversion energy levels. Each level splits into 3 subcomponents (A1/A2 and E) corresponding to the three methyl torsion minima. Although the potential energy surface presents 12 minima, at low temperatures, the infrared band shapes correspond to a surface with only three minima because the top of the inversion Vα barrier at α = 0° (109 cm-1) stands below the zero point vibrational energy and the CH2 torsional barrier is relatively high (∼2000 cm-1). The methyl torsion barrier was computed to be ∼500 cm-1 and produces a splitting of 0.01 cm-1 of the ground vibrational state.

The efficacy of a medication review programme conducted in an emergency department.

Background Older age and inappropriate prescribing is related to a greater rate of emergency department visits and hospitalisations. Objective To assess the efficacy of an interprofessional collaboration programme in which a review of the medication of older patients seen in the emergency observation unit was carried out. Setting Emergency departments at four Spanish hospitals. Method Randomised, controlled study. Patients over 65 years of age presenting to the emergency department were randomised to a control or an intervention group. In the intervention group, a pharmacist reviewed the patients' chronic medication and identified any potentially inappropriate prescriptions based on the STOPP/START criteria. Each case was discussed with the emergency specialist and a recommendation to modify the treatment was sent to the general practitioner. Main outcome measure Rate of emergency visits and hospital admissions. Results The adjusted rate ratio of emergency visits and hospital admissions was 0.808 (95% CI 0.617 to 1.059) at 3 months, 0.888 (95% CI 0.696 to 1.134) at 6 months and 0.954 (95% CI 0.772 to 1.179) at 12 months. There was a statistically significant reduction at 3 months in two of the hospitals that participated in the study [adjusted rate ratio at 3 months was 0.452 (95% CI 0.222 to 0.923) in hospital 3 and 0.567 (95% CI 0.328 to 0.983) in hospital 4]. Conclusion Overall, the intervention did not reduce the number of emergency visits and hospital admissions. However, a significant effect was observed in centres were a high acceptance rate of treatment recommendations was achieved.

Effect of pH and Ionic Strength on the Solubility of Quinoline: Back-to-Basics.

The interest of quinoline as a contaminant agent and as scaffold for the development of new therapeutic agent warrants to revisit the pH-solubility behavior of quinoline (Q) and quinoline derivatives (Q-derivatives) with possible salting-out effect. Q is a weak base with potential hazard upon exposure that may be occupational by inhalation or ingestion of or dermal exposure to particulates in certain industries; or simply by inhalation of cigarette smoke. In contrast, quinoline and its derivatives are useful in diverse therapeutic applications such as anticancer, antiseptic, antipyretic, antiviral, and antimalarial. These claims have raised the possibility of using quinoline motif for the synthesis of new drugs; however, it may act as a pollutant on soil and water as ionizable organic compounds (IOC). The solubility and partitioning behavior of Q may be a critical factor in determining the extent of inhalation and oral absorption or sorption onto soil and water. Studies on the solubility of Q have been reported; however, due to Q-derivatives distinctive usage, it is necessary to revisit and evaluate the solubility profile of Q at different pH levels and ionic strengths. This study reports a simple analytical method for determining the solubility of nitrogen heterocyclic compounds and possible salting-out effect as a function of pH, buffer concentration, and ionic strength. This information can be of value when developing Q-derivatives and to enhance understanding of Q as well as its derivatives behavior in the gastrointestinal tract or when evaluating the presence of Q as an environmental contaminant.

Estudio e identificación de microRNA en exosomas urinarios en hipertensión arterial mineralocorticoide / Study and identification of microRNA in urinary exosomes in mineralocorticoid arterial hypertension

About 15% of the essential hypertensive patients would have a low activity of the 11ßHSD2 enzyme, which inactivates cortisol (F) to cortisone (E). Gene expression can be negatively regulated by miRNA. Urinary exosomes and their specific content (miRNA/proteins) represent a valuable tool as a biomarker for the diagnosis and prognosis of the disease. Aim: To evaluate the expression of miRNA specific for 11ßHSD2 in samples of urinary exosomes and to determine its association with biochemical variables associated with mineralocorticoid metabolism. Subjects and Methods: Cross-sectional study in subjects between 10-60 years. They were classified into subjects with high F/E (> p75) and low cortisone (< p25) and control subjects. The urinary exosomes were isolated with the Invitrogen kit. Bioinformatic analysis was performed with Mir Walk to identify specific miRNAs of HSD11B2. The expression of miRNA was evaluated by qRT PCR. The comparisons were made with the Mann-Whitney test. Results: 7.1% of the subjects are suggestive of a partial deficiency of 11ßHSD2 (NC-AME). The expression of miR-488 was higher in NC-AME than in controls (5839 ± 1719 vs 3,437 ± 2,581; p = 0.01). We found positive associations between mir-615 and ARP; miR-488 and the sodium/potassium ratio; miR-1205 with age and urinary sodium excretion; miR-494 with age, activity MMP9 and NGAL. Conclusion: We identified high expression of miR488 in NC-AME subjects and associations of miRNAs with biochemical variables associated with mineralocorticoid metabolism. Thus, exosomes and their miRNA content could be potential regulators and biomarkers of 11ßHSD2 activity.