A theoretical analysis on the intramolecular proton transfer of alpha-alanine in an aqueous medium

Intramolecular proton transfer from oxygen to nitrogen atoms in the alpha-alanine amino acid has been studied by ab initio methods at the HF/6-31G*, HF/6-31 ++ G** and MP2/6-31 ++ G** levels of calculation including the solvent effects by means of self-consistent reaction field theory. An analysis of the results based on the natural bond orbital charges shows that the transition structure presents an imbalance in the sense that the charge shift lags behind the proton transfer and that the bond formation is always in advance with respect to the bond cleavage. All calculation levels show that the barrier height associated with the conformational change on alpha-alanine is larger than the proton transfer process. (C) 1998 Elsevier B.V. B.V. All rights reserved.

Low-energy muon-transfer reaction from hydrogen isotopes to helium isotopes

Direct muon transfer in low-energy collisions of the muonic hydrogen H-mu and helium (He++) is considered in a three-body quantum-mechanical framework of coordinate-space integro-differential Faddeev-Hahn-type equations within two- and six-state close coupling approximations. The final-state Coulomb interaction is treated without any approximation employing appropriate Coulomb waves in the final state. This procedure of treating Coulomb interaction leads to much improved results for low-energy transfer rates. The present results agree reasonably well with previous semiclassical calculations. (C) 2002 Elsevier B.V. B.V. All rights reserved.

Low-energy three-body charge transfer reactions with Coulomb interaction in the final state

Three-body charge transfer reactions with Coulomb interaction in the final state are considered within the framework of coordinate-space integro-differential Faddeev-Hahn-type equations within two- and six-state close-coupling approximations. The method is employed to study direct muon transfer in low-energy collisions of the muonic hydrogen H-mu by helium (He2+) and lithium (Li3+) nuclei. The experimentally observed isotopic dependence is reproduced.

Low-energy direct muon transfer from H to Ne10+, S16+ and Ar18+ using the two-state close-coupling approximation to the Faddeev-Hahn-type equation

We perform a three-body calculation of direct muon-transfer rates from thermalized muonic hydrogen isotopes to bare nuclei Ne10+, S16+ and Ar18+ employing integro-differential Faddeev-Hahn-type equations in configuration space with a two-state close-coupling approximation scheme. All Coulomb potentials including the strong final-state Coulomb repulsion are treated exactly. A long-range polarization potential is included in the elastic channel to take into account the high polarizability of the muonic hydrogen. The transfer rates so-calculated are in good agreement with recent experiments. We find that the muon is captured predominantly in the n = 6, 9 and 10 states of muonic Ne10+, S16+ and Ar18+, respectively.

Electron migration in DNA matrix: an electron transfer reaction

Este artigo apresenta uma área de pesquisa atual, ativa e interessante. Descreve a investigação da química de transferência de elétrons (TE) de um modo geral e resultados de TE em DNA em particular. Dois intercalantes de DNA foram utilizados: Ethidium Bromide como doador (D) e Methyl-viologen como receptor (A), o primeiro intercala-se entre as bases do DNA e o último na sua superfície. Utilizando o modelo de Perrin e medidas de Supressão de Fluorescência obteve-se a distância de migração do elétron; aqui a distância foi considerada o espaçamento linear entre as moléculas de doador e receptor ao longo da molécula de DNA. O valor determinado foi de 22,6 ± 1,1 angstrons e o número de pares de bases entre doador e receptor de 6,6. Na literatura os valores encontrados foram de 26 angstrons e de quase 8 pares de bases. Considera-se que a transferência de elétrons em DNA seja mediada através das interações através do espaço entre os elétrons do tipo p contido nos pares de bases.

Alternative paths for insertion of probes into high inclination lunar orbits

The dynamics of the restricted three-body Earth-Moon-particle problem predicts the existence of direct periodic orbits around the Lagrangian equilibrium point L1. From these orbits, we derive a set of trajectories that form links between the Earth and the Moon and are capable of performing transfers between terrestrial and lunar orbits, in addition to defining an escape route from the Earth-Moon system. When we consider a more complex and realistic dynamical system - the four-body Sun-Earth-Moon-particle (probe) problem - the trajectories have an expressive gain of inclination when they penetrate in the lunar influence sphere, thus allowing the insertion of probes into low-altitude lunar orbits with high inclinations, including polar orbits. In this study, we present these links and investigate some possibilities for performing an Earth-Moon transfer based on these trajectories. (C) 2007 COSPAR. Published by Elsevier Ltd. All rights reserved.

Numerical study about natural escape and capture routes by the Moon via Lagrangian points L1 and L2

The lunar sphere of influence, whose radius is some 66,300 km, has regions of stable orbits around the Moon and also regions that contain trajectories which, after spending some time around the Moon, escape and are later recaptured by lunar gravity. Both the escape and the capture occur along the Lagrangian equilibrium points L1 and L2. In this study, we mapped out the region of lunar influence considering the restricted three-body Earth-Moon-particle problem and the four-body Sun-Earth-Moon-particle (probe) problem. We identified the stable trajectories, and the escape and capture trajectories through the L I and L2 in plots of the eccentricity versus the semi-major axis as a function of the time that the energy of the osculating lunar trajectory in the two-body Moon-particle problem remains negative. We also investigated the properties of these routes, giving special attention to the fact that they supply a natural mechanism for performing low-energy transfers between the Earth and the Moon, and can thus be useful on a great number of future missions. (C) 2007 Published by Elsevier Ltd on behalf of COSPAR.

Orbital propagation for Brazilian satellites using NORAD models

The performance of the NORAD models for near Earth satellites (SGP, SGP4, SGP8) using two Brazilian flying satellites, SCD-1 and SCD-2, and the Chinese-Brazilian satellite CBERS-1 is compared. The achievable accuracy of such models is compared against the predicted 2-lines elements set for the satellites. Every week an updated fresh set of 2-lines elements for these satellites is made available through the Internet. About ten years of observations of the SCD-1 satellite are available and therefore solar activity influences on the orbit can be analyzed. Data are selected considering also orbital (for CBERS-1) and attitude (for SCD-2) maneuvers - (C) 2002 COSPAR. Published by Elsevier B.V. Ltd. All rights reserved.

The Liapunov exponent as a tool for exploring phase space

We have used the Liapunov exponent to explore the phase space of a dynamical system. Considering the planar, circular restricted three-body problem for a mass ratio mu = 10(-3) (close to the Jupiter/Sun case), we have integrated similar to 16,000 starting conditions for orbits started interior to that of the perturber and we have estimated the maximum Liapunov characteristic exponent for each starting condition. Despite the fact that the integrations, in general, are for only a few thousand orbital periods of the secondary, a comparative analysis of the Liapunov exponents for various values of the 'cut-off' gives a good overview of the structure of the phase space. It provides information about the diffusion rates of the various chaotic regions, the location of the regular regions associated with primary resonances and even details such as the location of secondary resonances that produce chaotic regions inside the regular regions of primary resonances.

Orbital maneuvers using gravitational capture times

Artificial satellites around the Earth can be temporarily captured by the Moon via gravitational mechanisms., How long the capture remains depends on the phase space region where the trajectory is located. This interval of time (capture time) ranges from less than one day (a single passage), up to 500 days, or even more. Orbits of longer times might be very useful for certain types of missions. The advantage of the ballistic capture is to save fuel consumption in an orbit transference from around the Earth to around the Moon. Some of the impulse needed in the transference is saved by the use of the gravitational forces involved. However, the time needed for the transference is elongated from days to months. In the present work we have mapped a significant part of the phase space of the Earth-Moon system, determining the length of the capture times and the origin of the trajectory, if it comes from the Earth direction, or from the opposite direction. Using such map we present a set of missions considering the utilization of the long capture times. (C) 2003 COSPAR. Published by Elsevier B.V. Ltd. All rights reserved.

Alternative paths to Earth-Moon transfer

The planar, circular, restricted three-body problem predicts the existence of periodic orbits around the Lagrangian equilibrium point L1. Considering the Earth-lunar-probe system, some of these orbits pass very close to the surfaces of the Earth and the Moon. These characteristics make it possible for these orbits, in spite of their instability, to be used in transfer maneuvers between Earth and lunar parking orbits. The main goal of this paper is to explore this scenario, adopting a more complex and realistic dynamical system, the four-body problem Sun-Earth-Moon-probe. We defined and investigated a set of paths, derived from the orbits around L1, which are capable of achieving transfer between low-altitude Earth (LEO) and lunar orbits, including high-inclination lunar orbits, at a low cost and with flight time between 13 and 15 days.

Three-body problem, its Lagrangian points and how to exploit them using an alternative transfer to L4 and L5

Fundação de Amparo à Pesquisa do Estado de São Paulo (FAPESP)

GDP 4.0 transfer to SGP 3.0 for SCIAMACHY no2 column processing: Verification with SDOAS / GDOAS prototype algorithms and delta-validation with NDACC / UV-visible network data

Until mid 2006, SCIAMACHY data processors for the operational retrieval of nitrogen dioxide (NO2) column data were based on the historical version 2 of the GOME Data Processor (GDP). On top of known problems inherent to GDP 2, ground-based validations of SCIAMACHY NO2 data revealed issues specific to SCIAMACHY, like a large cloud-dependent offset occurring at Northern latitudes. In 2006, the GDOAS prototype algorithm of the improved GDP version 4 was transferred to the off-line SCIAMACHY Ground Processor (SGP) version 3.0. In parallel, the calibration of SCIAMACHY radiometric data was upgraded. Before operational switch-on of SGP 3.0 and public release of upgraded SCIAMACHY NO2 data, we have investigated the accuracy of the algorithm transfer: (a) by checking the consistency of SGP 3.0 with prototype algorithms; and (b) by comparing SGP 3.0 NO2 data with ground-based observations reported by the WMO/GAW NDACC network of UV-visible DOAS/SAOZ spectrometers. This delta-validation study concludes that SGP 3.0 is a significant improvement with respect to the previous processor IPF 5.04. For three particular SCIAMACHY states, the study reveals unexplained features in the slant columns and air mass factors, although the quantitative impact on SGP 3.0 vertical columns is not significant.

Optimal low-cost transfer to L4 and L5 lagrangian points based on G-family of periodic orbits

An alternative transfer strategy to send spacecrafts to stable orbits around the Lagrangian equilibrium points L4 and L5 based in trajectories derived from the periodic orbits around LI is presented in this work. The trajectories derived, called Trajectories G, are described and studied in terms of the initial generation requirements and their energy variations relative to the Earth through the passage by the lunar sphere of influence. Missions for insertion of spacecrafts in elliptic orbits around L4 and L5 are analysed considering the Restricted Three-Body Problem Earth- Moon-particle and the results are discussed starting from the thrust, time of flight and energy variation relative to the Earth. Copyright© (2012) by the International Astronautical Federation.

Controle orbital de satélites artificias com propulsão e uso de gravidade lunar

Fundação de Amparo à Pesquisa do Estado de São Paulo (FAPESP)