(1R,2S,5R)-5-Methyl-2-[2-(4-nitrophenyl)propan-2-yl]cyclohexyl 2-(4-methoxyphenyl)-2,5-dihydro-1H-pyrrole-1-carboxylate: crystal structure and Hirshfeld analysis

In the title compound, C28H34N2O5, the adjacent ester and nitrobenzene substituents are connected via an intramolecular methylene-C—H. ...(nitrobenzene) interaction and the molecule approximates to a U-shape. The dihydropyrrole ring (r.m.s. deviation = 0.003 A ˚ ) is almost co-planar with the carboxylate residue [Cm—N—C1—Oc (m = methine, c = carboxyl) torsion angle = 1.8 (4).] but is orthogonal to the 4-methoxybenzene ring [dihedral angle = 84.34 (17).]. In the crystal, methylene-C—H. ...O(carbonyl) interactions lead to linear supramolecular chains along the b-axis direction, which pack without directional interactions between them. The analysis of the calculated Hirshfeld surface points to the importance of weak interatomic H. . .H, O. . .H/H. . .O and C. . .H/H. . .C contacts in the crystal

Dba-free" Palladium Intermediates Of The Heck-matsuda Reaction."

The dba-free Heck-Matsuda reaction was investigated via direct ESI-MS(/MS) monitoring. Palladium species involved in the reduction of Pd(II) during a Wacker type reaction and several dba-free arylpalladium transient complexes were detected and characterized. Based on these findings, a more comprehensible catalytic cycle for this pivotal reaction is suggested.113277-8

Chronic Intermittent Hypoxia Depresses Afferent Neurotransmission in NTS Neurons by a Reduction in the Number of Active Synapses

Long-term synaptic plasticity has been recently described in brainstem areas associated to visceral afferent sensory integration. Chronic intermittent hypoxia (CIH), an animal model for studying obstructive sleep apnea in humans, depresses the afferent neurotransmission in nucleus tractus solitarii (NTS) neurons, which affect respiratory and autonomic regulation. Here we identified the synaptic mechanisms of CIH-induced depression of the afferent neurotransmission in NTS neurons in juvenile rats. We verified that CIH reduced the amplitude of both NMDA and non-NMDA glutamatergic excitatory currents (eEPSCs) evoked by tractus solitarii stimulation (TS-eEPSC) of second-order neurons in the NTS. No changes were observed in release probability, evidenced by absence of any CIH-elicited effects on short-term depression and failures in EPSCs evoked in low calcium. CIH also produced no changes in TS-eEPSC quantal size, since the amplitudes of both low calcium-evoked EPSCs and asynchronous TS-eEPSCs (evoked in the presence of Sr2+) were unchanged. Using single TS afferent fiber stimulation in slices from control and CIH rats we clearly show that CIH reduced the quantal content of the TS-eEPSCs without affecting the quantal size or release probability, suggesting a reduction in the number of active synapses as the mechanism of CIH induced TS-eEPSC depression. In accordance with this concept, the input-output relationship of stimulus intensity and TS-eEPSC amplitude shows an early saturation in CIH animals. These findings open new perspectives for a better understanding of the mechanisms underlying the synaptic plasticity in the brainstem sensory neurons under challenges such as those produced by CIH in experimental and pathological conditions.Fundacao de Amparo a Pesquisa do Estado de Sao Paulo (FAPESP) [2008/54953-0, 2008/04618-0, 2009/50113-0]Fundacao de Amparo a Pesquisa do Estado de Sao Paulo (FAPESP

A COLLABORATIVE VIRTUAL ENVIRONMENT FOR TRAINING OF SECURITY AGENTS IN NUCLEAR EMERGENCIES

In face the recently observed security menaces related to terrorist actions and natural disasters, there is a need for a major qualification and training of the agents responsible for avoid any problems regarding to abnormal conditions. In the conventional training procedures, however, field simulations are associated to logistical and operational constraints regarded to the execution of the tests which can expose the user to risk. On the other hand, the use of virtual simulations provides an alternative to such limitations besides of promote the qualifying of professionals with a great reliability. For this reason, this paper proposes the development of a collaborative virtual environment that will be used to prepare the security agents on identifying individuals suspected of carrying radioactive materials. The development of the virtual environment consisted on modeling using Autodesk 3ds Max, where the scene itself and the scene objects were modeled besides the terrain creation and basic features programming using the Game Engine Unity 3D. In the Engine Game were included radiation detectors and avatars. The security agents were able to communicate to each other by means of auxiliary external tools like a headset software that makes possible the communication, coordination and cooperation required for an effective collaboration. Experimental tests of the virtual simulations were performed with the participation of CNEN radiological protection agents and collaborators. The tests have shown that the proposed method can contribute to improve the training results of the basic collaborative skills required for a CNEN agent in an emergency situation without the need to espose him to any kind of risk. In face of that, we hope that it can contribute to minimize the demand for qualified security professionals

Psoralen analogues: synthesis, inhibitory activity of growth of human tumor cell lines and computational studies

Eight psoralens have been evaluated for their ability to inhibit the in vitro growth of three human turner cell lines representing different tumor types, MCF-7 (breast cancer), NCI-14460 (non-small cell lung cancer) and SF-268 (CNS cancer). The synthesis of four new psoralens (benzofur-ocournarins) is presented as well as the results of the ab initio calculations to find the parameters that relate the structure with the antitumor activity. This work provides supplementary information that could allow the development of new psoralen analogues with this type of biological activity.For financial support from Fundação para a Ciência e Tecnologia, Portugal (I&D no. 226/9 and to CQ-UM), POCTI and FEDER; Ph.D. grants from FCT: Ana M.A.G. Oliveira (PRAXIS XXI/BD/19707/99), Madalena Pedro (SFRH/BD/1456/2000) and César Portela (SFRH/BD/3036/2000). For financial support and research grants to FAPEMIG (Fundação de Amparo à Pesquisa do Estado de Minas Gerais) and CNPq (Conselho Nacional do Desenvolvimento Científico e Tecnológico, Brazil). The authors thank National Cancer Institute, Bethesda, MD (USA) for kindly providing the tumor cell lines and Elisa Pinto for obtaining 1H-NMR and 13C-NMR spectra and elemental analyses.POCTI

Comparison of erosion rates in forest roads applying the WEPP model (Water Erosion Prediction Project) modified with reference to experimental measurements

O objetivo do trabalho foi testar o modelo WEPP (Water Erosion Prediction Project), através de comparações entre volume de enxurrada e perda de solo observados experimentalmente, provenientes dos segmentos de estradas florestais submetidas à chuva natural com inclinações de 1 e 7% e comprimentos de rampa de 20 e 40 m, e aqueles preditos pelo aplicativo, visando o desenvolvimento de um modelo brasileiro de predição de erosão em estradas florestais. Na determinação da quantidade do material erodido foram instalados tambores coletores, com capacidade de 209,25 litros, localizados na parte inferior das estradas, onde foram inseridas tubulações de PVC de 2 polegadas para coleta dos sedimentos provenientes da estrada propriamente dita. Nos tambores coletores foram feitos orifícios nivelados e perfeitamente iguais, posicionados a 0,65 m do fundo do primeiro e a 0,60 m do fundo do segundo, que funcionaram como um divisor Geib. Nas parcelas de 20 e 40 m de comprimento foram feitos cinco e sete orifícios, respectivamente, no primeiro e segundo tambores. O terceiro tambor foi utilizado para coletar o excedente da enxurrada proveniente do segundo tambor. Os tambores foram ligados em série, através de cano PVC de 2 polegadas. Os dados de volume e intensidade de precipitação diária foram obtidos com a instalação de pluviômetro e pluviógrafo no local. O período de coleta de dados foi de um ano, concentrando-se na época das chuvas. Posteriormente, os arquivos de clima, precipitação, solo, inclinação e comprimento do segmento foram introduzidos e adaptados ao modelo de predição de erosão WEPP com o propósito de testá-lo, visando a confecção de um modelo apropriado às condições brasileiras. _________________________________________________________________________________________ ABSTRACT: The objective of this work was to test the WEPP model (Water Erosion Prediction Project), by comparing experimentally observed runoff volume and soil loss in forest road segments under normal rainfall, with 1 and 7% slopes and lengths of 20 and 40 m, and those predicted by the WEPP, aiming to develop a Brazilian model of erosion prediction on forest roads. To determine the amount of eroded matter, 209.25 l capacity collector drums were placed on the lower level of the road segment. PVC pipes of 2 inches were connected to the drums to collect sediments from the road. Openings at the same height and size were made on the drums, located at 0.65 m from the bottom of the first drum and at 0.60 m from the bottom of the second drum, which functioned as a Geib divisor. In the 20 and 40 m long plots five and seven openings were made, respectively, on the first and second drums, with the third drum being used to collect the runoff excess from the second drum. The drums were connected in series through 2 inch - PVC pipes. Data of volume and intensity of daily precipitation were obtained by means of pluviometers and pluviographs. The period of data collection was one year, concentrated in the rainy season. Files on climate, precipitation, soil, slope and segment length were introduced and adapted to the WEPP model erosion prediction model to test it, aiming to elaborate a model suited to the Brazilian forest conditions

Construcción: temas y reflexiones

IlustracionesEEl presente volumen se estructura a partir de las diversas facetas que involucran lo construido, mediante las cuales el lector que se aproxime a este libro percibirá que sus autores actúan responsablemente al alertar a la sociedad sobre puntos críticos que deben ser tenidos en cuenta, si de lo que se trata es de advertir sobre los riesgos que para la sociedad implica desconocer, entre otras cosas, que lo construido es no solamente el ámbito en el 10 / Juan Pablo Duque Cañas que se establecen nuestros recuerdos, colectiva y frágilmente compartidos, sino también un factor de impacto prioritario cuyos peligros deben escudriñarse en búsqueda de nuevas posibilidades que nos permitan superar los graves problemas que el mismo espacio construido detona como resultado de equivocadas prácticas y concepciones