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In this work, we studied the wavelength (520 or 350 nm) dependence of the photochemical decomposition of 1-phenyl-1-diazopropane (

S and N-doped carbon dots (S-CDs and N-CDs) and their cisplatin (cis-Pt) derivatives. (S-CDs@cis-Pt and N-CDs@cis-Pt) were tested on two ovarian cancer cell lines: A2780 and A2780 cells resistant to cis-Pt (A2780R). Several spectroscopic techniques were employed to check S-CDs@cis-Pt and N-CDs@cis-Pt: solid- and solution-state nuclear magnetic resonance, matrix-assisted laser desorption, ionization time-of-flight mass spectrometry, and X-ray photoelectron spectroscopy. In addition, synchrotron-based Fourier Transformed Infrared spectro-microscopy was used to evaluate the biochemical changes in cells after treatment with cis-Pt, S-CDs, N-CDs, or S-CDs@cis-Pt and N-CDs@cis-Pt, respectively. Computational chemistry was applied to establish the model for the most stable bond between S-CDs and N-CDs and cis-Pt. The results revealed the successful modification of S-CDs and N-CDs with cis-Pt and the formation of a stable composite system that can be used for drug delivery to cancer cells and likewise to overcome acquired cis-Pt resistance. Nanoparticle treatment of A2780 and A2780R cells led to the changes in their structure of lipids, proteins, and nucleic acids depending on the treatment. The results showed the S-CDs@cis-Pt and N-CDs@cis-Pt might be used in the combination with cis-Pt to treat the adenocarcinoma, thus having a potential to be further developed as drug delivery systems.

In this work, we have studied the photodissociation of the protonated derivatives of N-nitrosodimethylamine [(CH3)2N–NO] with the CASPT2 method. It is found that only one of the four possible protonated species of the dialkylnitrosamine compound absorbs in the visible region at 453 nm, that is, N-nitrosoammonium ion [(CH3)2NH-NO]+. This species is also the only one whose first singlet excited state is dissociative to directly yield the aminium radical cation [(CH3)2NHN·]+ and nitric oxide. In addition, we have studied the intramolecular proton migration reaction {[(CH3)2N–NOH]+ → [(CH3)2NH–NO]+} both in the ground and excited state (ESIPT/GSIPT); our results indicate that this process is not accessible neither in the ground nor in the first excited state. Furthermore, as a first approximation, MP2/HF calculations on the nitrosamine–acid complex indicate that in acidic solutions of aprotic solvents, only [(CH3)2NH–NO]+ is formed.

The influence of iron contamination on a stainless steel surface was evaluated based on a novel rust deposition procedure. The main variables that control the corrosion process and the influence of iron contamination on localized corrosion resistance of austenitic and super duplex stainless steel were investigated. Cyclic potentiodynamic polarization tests and environmental exposure with different rust surface contamination degrees were performed. Potentiodynamic polarization curves showed that iron contamination deteriorated the local corrosion resistance of both stainless steels. Environmental salt-spray exposure results indicated that the alloy resistance to rust contamination increased with the materials’ pitting resistance equivalent. Likewise, the extent of localized corrosion decreased with the rust contamination degree. These findings suggested that preferential corrosion from rust contamination was associated with the occluded solution chemistry. Environmentally friendly cleaning methods, including chemical treatments and laser cleaning, were evaluated as alternatives to hazardous pickling based on hydrofluoric-nitric acid. Last, practical recommendations for rust contamination of stainless steel are addressed.

Conditional (cGAN)-based methods proposed so far for synthetic aperture radar (SAR)-to-optical image synthesis tend to produce noisy and unsharp optical outcomes. In this work, we propose the atrous-cGAN, a novel cGAN architecture that improves the SAR-to-optical image translation. The proposed generator and discriminator networks rely on atrous convolutions and incorporate an atrous spatial pyramid pooling (ASPP) module to enhance fine details in the generated optical image by exploiting spatial context at multiple scales. This letter reports experiments carried out to assess the performance of atrous-cGAN for the synthesis of Landsat-8 images from Sentinel-1A data based on three public data sets. The experimental analysis indicated that the atrous-cGAN consistently outperformed the classical pix2pix counterpart in terms of visual quality, similar to the true optical image, and as a feature learning tool for semantic segmentation.

Deformation on shale-rich continental margins is commonly associated with thin-skinned extension above mobile shales. Normal faulting and shale mobilization are widespread on such margins, being associated with and controlled by progradation and gravitational failure of deltaic sedimentary wedges. However, due to limitations in our ability to seismically imaging these mobile shales, our understanding of how base-shale relief controls deformation, and the shape, size, and distribution of shale structures remain poorly understood. We here use 3D seismic reflection data from the Tarakan Basin, offshore Indonesia to investigate the temporal and spatial evolution of thin-skinned deformations of the Neogene sedimentary section. Our detailed seismic interpretation reveals long (≤ 74 km), concave- and convex-into-the-basin faults, dipping both basinward (eastwards) and locally landward (westwards), which detach downwards on a basal mobile shale (Middle Miocene). The base of the shale unit dips gently (< 17o) seaward, although older (Paleogene), rift-related normal faults mean a local base-shale relief is present. Our analysis of isochron (thickness map) analysis shows that supra-shale normal faulting commenced in the Middle Miocene and was accompanied by the formation of hanging wall rollover folds and associated crestal grabens, with the subsequent along- and across strike migration of strain being related to the nucleation, lateral linkage, and reactivation of individual fault systems. Updip growth faulting was also accompanied by the downslope flow of mobile shale, margin-parallel and-perpendicular differential loading, and local contraction and mobile shale-upbuilding, resulting in the growth of large, margin-parallel shale anticlines further downdip. These faults and anticlines are locally overlain by tall (≤ 5 km) mud diapirs and volcanoes. We suggest that variations in the rate of sediment loading, mobile shale flow, fault growth, and gravitational failure above a seaward-dipping, but slightly rugose base-shale surface, controlled Neogene deformations in the Tarakan Basin. We also demonstrate how variations in the trend and dip of the base-shale surface influences the position, timing, and evolution of supra-shale faults and their associated depocenters along shale-rich, delta-fed clastic margins.

Changes in environmental conditions, geographical variability and different sensor properties typically make it almost impossible to employ previously trained classifiers for new data without a significant drop in classification accuracy. Domain adaptation (DA) techniques been proven useful to alleviate that problem. In particular, appearance adaptation techniques may be used to adapt images from a specific dataset in such a way that the generated images have a style that is similar to the images from another dataset. Such techniques are, however, prone to creating artifacts that hinder proper classification of the adapted images. In this work we propose an unsupervised DA approach for change detection tasks, which is based on a particular appearance adaptation method: the Cycle-Consistent Generative Adversarial Network (CycleGAN). Specifically, we extend that method by introducing additional constraints in the training phase of the model components, which make it preserve the semantic structure and class transitions in the adapted images. We evaluate the proposed approach on a deforestation detection application, considering different sites in the Amazon rain-forest and in the Brazilian Cerrado (savanna) using Landsat-8 images. In the experiments, each site corresponds to a domain, and the accuracy of a classifier trained with images and references from one (source) domain is measured in the classification of another (target) domain. The results show that the proposed approach is successful in producing artifact-free adapted images, which can be satisfactory classified by the pre-trained source classifiers. On average, the accuracies achieved in the classification of the adapted images outperformed the baselines (when no adaptation was made) by 7.1% in terms of mean average precision, and 9.1% in terms of F1-Score. To the best of our knowledge, the proposed method is the first unsupervised domain adaptation approach devised for change detection.

The electronic structure of nitrobenzene (C6H5NO2) has been studied by means of the complete active space self-consistent field (CASSCF) and multi-state second-order perturbation (MS-CASPT2) methods. To this end, an active space of 20 electrons distributed in 17 orbitals has been selected to construct the reference wave function. In this work, we have calculated the vertical excitation energies and the energy barrier for the dissociation of the molecule on the ground state into phenyl and nitrogen dioxide. After applying the corresponding vibrational corrections to the electronic energies, it is demonstrated that the MS-CASPT2//CASSCF values obtained in this work yield an excellent agreement between calculated and experimental data. In addition, other active spaces of lower size have been applied to the system in order to check the active space dependence in the results. UNIVERSIDAD DE MALAGA

We present a computational model for electrochemical surface-enhanced Raman scattering (EC-SERS). The surface excess of charge induced by the electrode potential (

Current Adaptive Immune Receptor Repertoire Sequencing (AIRR-seq) strategies resolve expressed antibody (Ab) transcripts with limited resolution of the constant region. Here we present a novel near full-length AIRR-seq (FLAIRR-Seq) method that utilizes targeted amplification by 5’ rapid amplification of cDNA ends (RACE), combined with single molecule, real-time sequencing to generate highly accurate (>Q40, 99.99%) IG heavy chain transcripts. FLAIRR-seq was benchmarked by comparing IG heavy chain variable (IGHV), diversity (IGHD), and joining (IGHJ) gene usage, complementarity-determining region 3 (CDR3) length, and somatic hypermutation to matched datasets generated with standard 5’ RACE AIRR-seq and full-length isoform sequencing. Together these data demonstrate robust, unbiased FLAIRR-seq performance using RNA samples derived from peripheral blood mononuclear cells, purified B cells, and whole blood, which recapitulated results generated by commonly used methods, while additionally resolving novel IG heavy chain constant (IGHC) gene features. FLAIRR-seq data provides, for the first time, simultaneous, single-molecule characterization of IGHV, IGHD, IGHJ, and IGHC region genes and alleles, allele-resolved subisotype definition, and high-resolution identification of class-switch recombination within a clonal lineage. In conjunction with genomic sequencing and genotyping of IGHC genes, FLAIRR-seq of the IgM and IgG repertoires from 10 individuals resulted in the identification of 32 unique IGHC alleles, 28 (87%) of which were previously uncharacterized. Together, these data demonstrate the capabilities of FLAIRR-seq to characterize IGHV, IGHD, IGHJ, and IGHC gene diversity for the most comprehensive view of bulk expressed Ab repertoires to date.

Distributed matrix computation is common in large-scale data processing and machine learning applications. Iterative-convergent algorithms involving matrix computation share a common property: parameters converge non-uniformly. This property can be exploited to avoid redundant computation via incremental evaluation . Unfortunately, existing systems that support distributed matrix computation, like SystemML, do not employ incremental evaluation. Moreover, incremental evaluation does not always outperform classical matrix computation, which we refer to as a full evaluation . To leverage the benefit of increments, we propose a new system called HyMAC , which performs hybrid plans to balance the trade-off between full and incremental evaluation at each iteration. In this demonstration, attendees will have an opportunity to experience the effect that full, incremental, and hybrid plans have on iterative algorithms.

Background PSMA (prostate-specific membrane antigen) protein is heavily expressed in the proliferating microvasculature of high-grade gliomas (HGG) and brain metastases (BM). This research aimed to assess [99mTc]Tc-iPSMA SPECT brain imaging as a potential specific diagnosis of HGG and BM by PSMA-targeting in their proliferating vasculature. Methods Forty-one patients, with suspected brain tumors, as detected by enhanced MRI scanning, were enrolled to undergo preoperative [99mTc]Tc-iPSMA SPECT brain imaging. Semiquantitative image analyses, to evaluate the maximum target-to-background ratio (TBRmax), were performed. All diagnoses were histopathologically confirmed. PSMA expression was evaluated by immunohistochemistry (IHC) in 11 brain tumor tissues. TBRmax values were correlated with IHC results and tumor WHO grade (HGG vs LGG). Results [99mTc]Tc-iPSMA images showed increased uptake in BM, HGG, and recurrent gliomas (TBRmax of 25.1 ± 7.1, 18.5 ± 9.0, 15.0 ± 9.9, respectively), and was negative in treatment-naive patients with LGG and reactive gliosis. PSMA was highly expressed in the vascular endothelium of grade IV gliomas and BM, while its expression was extremely low in LGG and completely absent in gliosis. By using 2.8 as a threshold value for TBRmax, the specificity, sensitivity, PPV, NPV and accuracy were 100%, 94%, 100%, 77% and 95%, respectively. Conclusions The results of this pilot study show that [99mTc]Tc-iPSMA SPECT brain imaging is a specific and potentially useful neuroimaging tool for assessing tumoral neovasculature formation in gliomas and brain metastases.

Shortening styles in salt-influenced basins can vary markedly, with the volume and distribution of salt prior to shortening being a key control. Here we use a suite of physical models to examine styles of thin-skinned regional shortening in settings where the pre-shortening structure comprised minibasins surrounded by salt (‘isolated-minibasin’ provinces). Our models show that the high volume of mechanically-weak salt localizes lateral regional shortening, with shortening inducing salt flow towards the foreland that subsequently contributes to three key processes - translation, tilting and rotation of minibasins. First, we demonstrate that the flowing salt pushes against minibasins, propelling them in the regional shortening direction. Minibasin translation is enhanced by fast-flowing salt streams and impeded by basal friction due to welding and base-salt buttresses. Second, we show how minibasin tilt directions and magnitudes vary spatially and temporally during regional shortening. Minibasins tilt away from zones of pressurized salt, the locations of which may shift due to changes in salt flow regimes. Tilt directions may also change as minibasins pivot on primary welds, or due to forces associated with minibasin collision. Third, minibasins can rotate around sub-vertical axes during regional shortening. We speculate that this rotation is caused by a combination of: i) traction imparted on the minibasin boundary by differential horizontal flow of adjacent salt; and ii) pivoting on primary and secondary welds. We synthesize our results in a series of 3-D conceptual models, before we compare and contrast regional shortening styles and processes in salt-influenced basins with different pre-shortening salt configurations. Our findings contribute to the understanding of the geometry and kinematics of shortened salt basins, as well as a deeper understanding of the tectono-stratigraphic evolution of minibasins.

This study aimed to remove carbamazepine from aqueous solutions, using functional silica phenylamine (SiBN), which is characterized and showed excellent chemical and thermal stability. Adsorbents based on silica were developed due to their unusually large surface area, homogenous pore structure, and well-modified surface properties, as silica sparked tremendous interest. It was determined to develop a novel silica adsorbent including phenylamine and amide (SiBCON). The adsorbents obtained were analyzed by various spectroscopy devices, including SEM, FT-IR and TGA analysis. The maximum removal rates for carbamazepine were 98.37% and 98.22% for SiBN and SiBCON, respectively, when optimized at room temperature, pH 9.0, initial concentration of 10 mg·L−1 and contact time of 15 min. Theoretical tools are widely used in the prediction of the power of interactions between chemical systems. The computed data showed that new amine modified silica is quite effective in terms of the removal of carbamazepine from aqueous solution. Calculation binding energies and DFT data showed that there is a powerful interaction between amine-modified silica and carbamazepine.

Implementing the persistence layer is a task that the Object Relational Mapping (ORMs) tools have standardized through diverse frameworks and Application Programming Interfaces (APIs). However, these ORMs and APIs have some inconveniences related to their configuration process and the time and effort it takes to learn them, amongst others. For example, every time a database is used, a configuration process is realized to map the database to obtain Plain Old Java Objects (POJOs) and Data Access Objects (DAOs). In order to overcome those disadvantages, this work contributes by proposing a reusable and extensible process that supports the automatic generation of POJOs and DAOs from database scheme metadata, through the specification of an Extended Backus–Naur Form (EBNF) grammar. A tool named GenPOJO was developed in order to test the process. Unlike the existing ORMs, the proposed process does not require the configuration steps for each database. In addition, GenPOJO does not require time to learn since the only input it receives is a file in XML (eXtensible Markup Language) format containing the database scheme metadata.

Herein, we fabricated nanoparticles of doped carbon dots with nitrogen (N-CDs) with an ecofriendly and easy approach, yielding spherical nanoparticles (mean size: 19 nm). N-CDs were further charact...

Experimental and theoretical calculations confirm, for the first time, the existence of two different kinds of electronic structures of a surface complex formed by a particular molecule bonded to charged metal electrodes, clusters, or nanoparticles. Surface-enhanced Raman scattering (SERS) of cyanine adsorbed on a silver electrode shows three regions, which are selected by the electrode potential and characterized by the differentiated response of the vibrational wavenumbers of the ?(CN) stretching band to the electrode potential. The combination between the experimental SERS and DFT calculations has allowed for relating the three regions to chemisorbed (C-hybrid) and physisorbed (P-hybrid) surface complexes, where cyanide is bonded through the carbon on top of a single silver atom of the surface and to bidentate species, respectively. The electrode potential selects one or another type of electronic structure of the surface complex, which are of different natures and with a differentiated response to the applied potential. The electric potential tunes smoothly the wavenumbers, bond energies, and injected charges of the P-hybrid at more negative potentials than that of the zero charge of the electrode, but the very strong C-hybrid prevents significant changes of these properties at positive excesses of charge. The existence of the dual electronic structure of metal-molecule interfaces might require reinterpreting experiments that are usually discussed by resorting to, for instance, the reorientation of the adsorbate, the formation of complexes with different stoichiometries, the existence of nonequivalent local sites on the surface, or to instrumental artifacts.

[EN] The characteristics and electromechanical properties of conductive polymers together to their biocompatibility have boosted their application as a suitable tool in regenerative medicine and tissue engineering. However, conducting polymers as drug release materials are far from being ideal. A possibility to overcome this drawback is to combine conducting polymers with on-command delivery particles with inherent high-loading capacity. In this scenario, we report here the preparation of conduction polymers containing gated mesoporous silica nanoparticles (MSN) loaded with a cargo that is delivered on command by electro-chemical stimuli increasing the potential use of conducting polymers as controlled delivery systems. MSNs are loaded with Rhodamine B (Rh B), anchored to the conductive polymer poly(3,4-ethylenedioxythiophene) (PEDOT) doped with poly[(4-styrenesulfonic acid)-co-(maleic acid)], functionalized with a bipyridinium derivative and pores are capped with heparin (P3) by electrostatic interactions. P3 releases the entrapped cargo after the application of ¿640 mV voltage versus the saturated calomel electrode (SCE). Pore opening in the nanoparticles and dye delivery is ascribed to both (i) the reduction of the grafted bipyridinium derivative and (ii) the polarization of the conducting polymer electrode to negative potentials that induce detachment of positively charged heparin from the surface of the nanoparticles. Biocompatibility and cargo release studies were carried out in HeLa cells cultures., Alba Garcia-Fernandez, Beatriz Lozano-Torres contributed equally to this work. A. Garcia-Fernandez and B. Lozano-Torres are grateful to the "Ministerio de Economia y Competitividad" of the Spanish Government for her PhD fellowships. J. F. Blandez thanks the "Universitat Politecnica de Valencia" for his postdoctoral fellowship (PAID-10-17). The authors thank to the Spanish Government (Projects RTI2018-100910-B-C41 and RTI2018-101599-B-C22 (MCUI/AEI/FEDER, EU)) and the Generalitat Valencia (Project PROMETEO2018-024) for support.

Medir el contenido de humedad (CH) de los agregados de concreto (ADC) en la fabricación de concreto premezclado es uno de los retos en la industria de la construcción porque afecta a las propiedades finales del concreto. Actualmente los métodos que se utilizan para medir el CH en ADC son invasivos y destructivos. Este artículo presenta una técnica moderna basada en espectroscopía dieléctrica (ED), un método que al propagar microondas en el material correlaciona su constante dieléctrica (CD) y su CH. En esta investigación se ha utilizado este método en ADC. Tres diferentes canteras peruanas de ADC (Moyobamba, Sol-Sol y Cerro Mocho) han sido utilizadas. Los resultados demuestran que el sensor a una frecuencia de 1.5 GHz es capaz de detectar el CH en ADC con una regresión lineal de R2 = 95 %. En conclusión, se puede utilizar la ED como un método de sensado no invasivo y en línea de CH en ADC para ser utilizado en la industria de la construcción.//Measurement of moisture content (CH) of concrete aggregates (AOC) in the manufactury of ready mixed concrete is one of the currently challenges in the building industry since affect to the final properties of concret. At present, the methods for measurement of CH in AOC are invasive and destructive. This paper presents a novel sensing technique using dielectric espectroscopy (ED), a method that using the propagation of microwaves on the material allows the correlation of its dielectric constant (CD) and its CH. In this research is used this method in AOC. Three diferents peruvian quarries (Moyobamba, Sol sol y Cerro Mocho) have been used. The results shows that the sensor at the frequency of 1.5GHz is capable of detecting the CH in AOC with linear regression of R2 = 95%. In conclusion, is available using the ED as a online and no invasive sensing method of CH in AOC for using in the building industry.

This work studies the photochemical and thermal decompositions of azidoacetonitrile (N3 CH2 CN) from both the experimental and theoretical points of view. The data of the photochemical experiments are taken from the literature, while the thermal decomposition have been carried out by us. In addition, we have performed ab initio calculations of the multiconfigurational type [complete active space self-consistent field (CASSCF) and the multistate multireference perturbation theory (MS-CASPT2)]. It is found that the first step of both type of decompositions is N2 elimination and formation of closed shell singlet nitrene. Afterwards, the nitrene tends to rapidly rearrange into formimidoyl cyanide (HNCHCN). As both reactions progress, the imine isomerizes into formimidoyl isocyanide (HNCHNC). The photoisomerization of the imine takes places thorough a conical intersection, while the same reaction on the ground electronic state occurs via a conventional transition state. The last step of the global reaction is decomposition of the imines into HCN and CNH. In photochemical conditions, the conjunction of the imines and its dissociation products (HCN and CNH) yields adenine.

To date most studies of the impact of school-based sex education have focused either on specific, local interventions or experiences at a national level. In this paper, we use a new cross-country dataset to explore the extent to which laws on sex education affect teenage pregnancy rates in developed countries. We find some evidence that laws mandating sex education in schools are associated with higher rates of teenage fertility. Parental opt out laws may minimise adverse effects of sex education mandates for younger teens. The estimated effects of mandatory sex education are robust to some but not all of our specifications designed to tease out causality. Taken together, changes in national laws relating to sexual health are unable to explain the significant declines in teenage pregnancy rates, which have been observed in many developed countries in recent years.

Presentado en sesión de 22 de mayo de 1957

La sociedad de Cirugía realizó el 31 de octubre de 1951 una sesión homenaje a Profesor Domingo Prat

Presentado en sesión noviembre 1945. Incluye discursos de Armando Loubejac, Carlos Stajano, Fernando Etchegorry

Obituario y homenaje al Ex presidente de la Sociedad de Cirugía

Presentado en sesión de 3 de mayo de 1944

Presentado en sesión de 12 de mayo de 1943

Presentado en la Sesión del miércoles 23 de abril de 1946.

El artículo mostrará que elementos constitutivos se presentan en la construcción de los cuerpos y las subjetividades entre jóvenes universitarios, en el escenario virtual del Facebook. El cuerpo se entenderá como una construcción social y de sentido antes que como una entidad con una ontología biológica y esencial; en ese sentido, los cuerpos construidos están concebidos en constante cambio y en estrecha interacción con el medio virtual. Se tomó el modelo de la escenificación de sí de Goffman, lo mismo que a su vez, el de cuidado de sí de Foucault, para dar cuenta de estas formas particulares de corporalidad.

El art��culo mostrar�� que elementos constitutivos se presentan en la construcci��n de los cuerpos y las subjetividades entre j��venes universitarios, en el escenario virtual del Facebook. El cuerpo se entender�� como una construcci��n social y de sentido antes que como una entidad con una ontolog��a biol��gica y esencial; en ese sentido, los cuerpos construidos est��n concebidos en constante cambio y en estrecha interacci��n con el medio virtual. Se tom�� el modelo de la escenificaci��n de s�� de Goffman, lo mismo que a su vez, el de cuidado de s�� de Foucault, para dar cuenta de estas formas particulares de corporalidad.

Carbon dots (CDs) and N-carbon dots (N-CDs) loaded with Ru-complex (CDs@RuCN, N-CDs@RuCN, respectively) were investigated as media imposing biochemical changes induced by UV illumination of ovarian cancer, A2780, and osteosarcoma, CAL72, cells. Synchrotron radiation-based Fourier Transform Infrared Spectroscopy was performed, and the spectra were subjected to a Principal Component Analysis. The CDs@RuCN and N-CDs@RuCN effects on cancer cells were analyzed by the theoretical modelling of the stability of the composite systems and a protein database search. Moreover, a detailed evaluation of surface and optical properties of CDs@RuCN and N-CDs@RuCN was carried out. Results demonstrated selective action of the CDs@RuCN and N-CDs@RuCN-based photodynamic therapy, with N-CDs@RuCN being the most active in inducing changes in A2780 and CDs@RuCN in CAL72 cells. We assume that different surface charges of nanoparticles led to direct interactions of N-CDs@RuCN with a Wnt signalling pathway in A2780 and those of CDs@RuCN with PI3–K/Akt in CAL72 cells and that further biochemical changes occurred upon light illumination.

In this work, the decomposition of a prototypical azide, isopropyl azide, both in the ground and excited states, has been investigated through the use of multiconfigurational CASSCF and MS-CASPT2 electronic structure approaches. Particular emphasis has been placed on the thermal reaction starting at the S0 ground state surface. It has been found that the azide thermally decomposes via a stepwise mechanism, whose rate-determining step is the formation of isopropyl nitrene, which is, in turn, the first step of the global mechanism. After that, the nitrene isomerizes to the corresponding imine derivative. Two routes are possible for such a decomposition: (i) a spin-allowed path involving a transition state; and (ii) a spinforbidden one via a S0/T0 intersystem crossing. Both intermediates have been determined and characterised. Their associated relative energies have been found to be quite similar, 45.75 and 45.52 kcal mol1, respectively. To complete this study, the kinetics of the singlet and triplet channels are modeled with the MESMER (Master Equation Solver for Multi-Energy Well Reactions) code by applying the RRKM and Landau Zener (with WKB tunnelling correction) theories, respectively. It is found that the canonical rate-coefficients of the singlet path are 2-orders of magnitude higher than the ratecoefficients of the forbidden reaction. In addition, the concerted mechanism has been investigated that would lead to the formation of the imine derivative and nitrogen extrusion in the first step of the decomposition. After a careful analysis of CASSCF calculations with different active spaces and their comparison with single electronic configuration methods (MP2 and B3LYP), the concerted mechanism is discarded. This work has been supported by projects UMA18-FEDER-JA-049 and P18-RT-4592 of Junta de Andalucía and FEDER founds.

La visión por computador es un área de estudio en la inteligencia artificial que se enfoca en el desarrollo de técnicas computacionales para percibir el mundo a través de entradas visuales, como videos o imágenes. El aprendizaje profundo ha demostrado ser una técnica eficiente para el análisis e interpretación de datos visuales. Sin embargo, afronta innumerables desafíos según su aplicación en las diferentes tareas de la visión por computador. Este panel reúne un grupo de expertos en aprendizaje profundo, quienes ofrecerán información sobre su aplicación y los desafíos en sus respectivas áreas de investigación con relación a la visión por computador.

Sesión del 21 de Noviembre de 1934.

Presentado en la sesión del 8 de Junio de 1932

This paper has benefited greatly by the thorough and helpful comments and reviews by Chris Morley, Peter Connolly, and an anonymous reviewer. Andrea Billi is also thanked for his editorial support. We thank Nancy Cottington for initial figure drafting and Cari Breton for creating the map for Fig. 1. The project was funded by the Applied Geodynamics Laboratory (AGL) Industrial Associates program, comprising the following companies: Anadarko, Aramco Services, BHP Billiton, BP, CGG, Chevron, Condor, Ecopetrol, EMGS, ENI, ExxonMobil, Hess, Ion-GXT, Midland Valley, Murphy, Nexen USA, Noble, Petrobras, Petronas, PGS, Repsol, Rockfield, Shell, Spectrum, Equinor, Stone Energy, TGS, Total, WesternGeco, and Woodside (http://www.beg.utexas.edu/agl/sponsors).The ideas and content of this contribution have been strongly benefited from various fruitful discussions with colleagues such as Peter Flemings, Doug Jerolmack, Maria Nikolinakou, and Demian Saffer. Publication authorized by the Director, Bureau of Economic Geology, The University of Texas at Austin., Structural systems involving mobile shale represent one of the most difficult challenges for geoscientists dedicated to exploring the subsurface structure of continental margins. Mobile-shale structures range from surficial mud volcanoes to deeply buried shale diapirs and shale-cored folds. Where mobile shales occur, seismic imaging is typically poor, drilling is hazardous, and established principles to guide interpretation are few. The central problem leading to these issues is the poor understanding of the mechanical behaviour of mobile shales. Here we propose that mobile shales are at critical state, thus we define mobile shales as “bodies of clay-rich sediment or sedimentary rock undergoing penetrative, (visco-) plastic deformation at the critical state”. We discuss how this proposition can explain key observations associated with mobile shales. The critical-state model can explain the occurrence of both fluidized (no grain contact) shales (e.g., in mud volcanoes) and more viscous shales flowing with grain-to-grain contact (e.g., in shale diapirs), mobilization of cemented and compacted shales, and the role of overpressure in shale mobility. Our model offers new avenues for understanding complex and fascinating mobile-shale structures., Applied Geodynamics Laboratory (AGL) Industrial Associates program

This work analyzes chemical surface and optical characteristics of a commercial nanoporous alumina structure (NPAS) as a result of surface coverage by different imidazolium-based ionic liquids (1-butyl-3-metylimidazolium hexafluorophosphate, 3-methyl-1-octylimidazolium hexafluorophosphate, or 1-ethyl-3-methylimidazolium tetrafluoroborate). Optical characteristics of the IL/NPAS samples were determined by photoluminescence (at different excitation wavelengths (from 300 nm to 400 nm), ellipsometry spectroscopy, and light transmittance/reflectance measurements for a range of wavelengths that provide information on modifications related to both visible and near-infrared regions. Chemical surface characterization of the three IL/NPAS samples was performed by X-ray photoelectron spectroscopy (XPS), which indicates almost total support coverage by the ILs. The IL/NPAS analyzed samples exhibit different photoluminescence behavior, high transparency (

Proton-nuclear-magnetic-resonance-spectroscopy (

Society’s perception of an environmental impact often turns it into the drive to measure, remediate and ultimately solve the perceived problem. In some cases, this situation is noticeable even before scientists can properly establish the cause-effect pathway, for example, plastic debris effect on the oceans. This work strives to understand how public opinion deals with this transitory gap of knowledge and how to measure society’s viewpoint through marine litter. A Life Cycle Assessment was addressed comparing reusable and single-use drinking straws, from which a “society’s perception based” characterization factor for mismanaged polymers at end of life was proposed. Results showed that the factor may reach up to 1 order of magnitude higher than the characterization factors of producing the polymer and may indicate that decisions with no data to support can lead to rebound effects.

Multisystem inflammatory syndrome in children (MIS-C) presents with fever, inflammation and pathology of multiple organs in individuals under 21 years of age in the weeks following severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) infection. Although an autoimmune pathogenesis has been proposed, the genes, pathways and cell types causal to this new disease remain unknown. Here we perform RNA sequencing of blood from patients with MIS-C and controls to find disease-associated genes clustered in a co-expression module annotated to CD56dimCD57+ natural killer (NK) cells and exhausted CD8+ T cells. A similar transcriptome signature is replicated in an independent cohort of Kawasaki disease (KD), the related condition after which MIS-C was initially named. Probing a probabilistic causal network previously constructed from over 1,000 blood transcriptomes both validates the structure of this module and reveals nine key regulators, including TBX21, a central coordinator of exhausted CD8+ T cell differentiation. Together, this unbiased, transcriptome-wide survey implicates downregulation of NK cells and cytotoxic T cell exhaustion in the pathogenesis of MIS-C., Multisystem inflammatory syndrome in children (MIS-C) onsets in COVID-19 patients with manifestations similar to Kawasaki disease (KD). Here the author probe the peripheral blood transcriptome of MIS-C patients to find signatures related to natural killer (NK) cell activation and CD8+ T cell exhaustion that are shared with KD patients.

Distributed matrix computation is common in large-scale data processing and machine learning applications. Existing systems that support distributed matrix computation already explore incremental evaluation for iterative-convergent algorithms. However, they are oblivious to the fact that non-zero increments are scattered in different blocks in a distributed environment. Additionally, we observe that incremental evaluation does not always outperform full evaluation. To address these issues, we propose matrix reorganization to optimize the physical layout upon the state-of-art optimized partition schemes, and thereby accelerate the incremental evaluation. More importantly, we propose a hybrid evaluation to efficiently interleave full and incremental evaluation during the iterative process. In particular, it employs a cost model to compare the overhead costs of two types of evaluations and a selective comparison mechanism to reduce the overhead incurred by comparison itself. To demonstrate the efficiency of our techniques, we implement HyMAC, a hybrid matrix computation system based on SystemML. Our experiments show that HyMAC reduces execution time on large datasets by 23% on average in comparison to the state-of-art optimization technique and consequently outperforms SystemML, ScaLAPACK, and SciDB by an order of magnitude.

PONTIFÍCIA UNIVERSIDADE CATÓLICA DO RIO DE JANEIRO CONSELHO NACIONAL DE DESENVOLVIMENTO CIENTÍFICO E TECNOLÓGICO Os dados de observação da Terra são freqüentemente afetados pelo fenômeno de mudança de domínio. Mudanças nas condições ambientais, variabilidade geográfica e diferentes propriedades de sensores geralmente tornam quase impossível empregar classificadores previamente treinados para novos dados sem experimentar uma queda significativa na precisão da classificação. As técnicas de adaptação de domínio baseadas em modelos de aprendizado profundo têm se mostrado úteis para aliviar o problema da mudança de domínio. Trabalhos recentes nesta área fundamentam-se no treinamento adversárial para alinhar os atributos extraídos de imagens de diferentes domínios em um espaço latente comum. Outra forma de tratar o problema é empregar técnicas de translação de imagens e adaptá-las de um domínio para outro de forma que as imagens transformadas contenham características semelhantes às imagens do outro domínio. Neste trabalho, propõem-se abordagens de adaptação de domínio para tarefas de detecção de mudanças, baseadas em primeiro lugar numa técnica de traslação de imagens, Cycle-Consistent Generative Adversarial Network (CycleGAN), e em segundo lugar, num modelo de alinhamento de atributos: a Domain Adversarial Neural Network (DANN). Particularmente, tais técnicas foram estendidas, introduzindo-se restrições adicionais na fase de treinamento dos componentes do modelo CycleGAN, bem como um procedimento de pseudo-rotulagem não supervisionado para mitigar o impacto negativo do desequilíbrio de classes no DANN. As abordagens propostas foram avaliadas numa aplicação de detecção de desmatamento, considerando diferentes regiões na floresta amazônica e no Cerrado brasileiro (savana). Nos experimentos, cada região corresponde a um domínio, e a precisão de um classificador treinado com imagens e referências de um dos domínio (fonte) é medida na classificação de outro domínio (destino). Os resultados demonstram que as abordagens propostas foram bem sucedidas em amenizar o problema de desvio de domínio no contexto da aplicação alvo. Earth observation data are frequently affected by the domain shift phenomenon. Changes in environmental conditions, geographical variability and different sensor properties typically make it almost impossible to employ previously trained classifiers for new data without a significant drop in classification accuracy. Domain adaptation (DA) techniques based on Deep Learning models have been proven useful to alleviate domain shift. Recent improvements in DA technology rely on adversarial training to align features extracted from images of the different domains in a common latent space. Another way to face the problem is to employ image translation techniques, and adapt images from one domain in such a way that the transformed images contain characteristics that are similar to the images from the other domain. In this work two different DA approaches for change detection tasks are proposed, which are based on a particular image translation technique, the Cycle-Consistent Generative Adversarial Network (CycleGAN), and on a representation matching strategy, the Domain Adversarial Neural Network (DANN). In particular, additional constraints in the training phase of the original CycleGAN model components are proposed, as well as an unsupervised pseudo-labeling procedure, to mitigate the negative impact of class imbalance in the DANN-based approach. The proposed approaches were evaluated on a deforestation detection application, considering different sites in the Amazon rain-forest and in the Brazilian Cerrado (savanna) biomes. In the experiments each site corresponds to a domain, and the accuracy of a classifier trained with images and references from one (source) domain is measured in the classification of another (target) domain. The experimental results show that the proposed approaches are successful in alleviating the domain shift problem.