The digital code driven autonomous synthesis of ibuprofen automated in a 3D-printer-based robot

An automated synthesis robot was constructed by modifying an open source 3D printing platform. The resulting automated system was used to 3D print reaction vessels (reactionware) of differing internal volumes using polypropylene feedstock via a fused deposition modeling 3D printing approach and subsequently make use of these fabricated vessels to synthesize the nonsteroidal anti-inflammatory drug ibuprofen via a consecutive one-pot three-step approach. The synthesis of ibuprofen could be achieved on different scales simply by adjusting the parameters in the robot control software. The software for controlling the synthesis robot was written in the python programming language and hard-coded for the synthesis of ibuprofen by the method described, opening possibilities for the sharing of validated synthetic ‘programs’ which can run on similar low cost, user-constructed robotic platforms towards an ‘open-source’ regime in the area of chemical synthesis

Anisotropic valence-->core x-ray fluorescence from a [Rh(en)3][Mn(N)(CN)5]·H2O single crystal: Experimental results and density functional calculations

High resolution x-ray fluorescence spectra have been recorded for emission in different directions from a single crystal of the compound [Rh(en)3][Mn(N)(CN)5]·H2O. The spectra are interpreted by comparison with density functional theory (DFT) electronic structure calculations. The Kbeta[double-prime] line, which is strongly polarized along the Mn–N axis, can be viewed as an N(2s)-->Mn(1s) transition, and the angular dependence is understood within the dipole approximation. The so-called Kbeta2,5 region has numerous contributions but is dominated by Mn(4p) and C(2s)-->Mn(1s) transitions. Transition energy splittings are found in agreement with those of calculated occupied molecular orbitals to within 1 eV. Computed relative transition probabilities reproduce experimentally observed trends

Resonant X-ray emission spectroscopy reveals d–d ligand-field states involved in the self-assembly of a square-planar platinum complex

Resonant X-ray Emission Spectroscopy (RXES) is used to characterize the ligand field states of the prototypic self-assembled square-planar complex, [Pt(tpy)Cl]Cl (tpy=2,2′:6′,2′′-terpyridine), and determine the effect of weak metal-metal and π-π interactions on their energy. © 2012 the Owner Societies

A portable 3D printer system for the diagnosis and treatment of multidrug-resistant bacteria

Summary: Multidrug-resistant bacteria are a major threat to human health, but broad-spectrum antibiotics are losing efficacy. There is a need to screen a given drug against a bacterial infection outside of the laboratory. To address this need, we have designed and built an inexpensive and easy-to-use 3D-printer-based system that allows easily readable quantitative tests for the performance of antibacterial drugs. The platform creates a sterile diagnostic device by using 3D printing, and the device is filled automatically with growth medium, and then antibiotics are sprayed onto the medium by ink-jet technology. The sample for testing can be introduced via a fluid port, and the printer hot bed is used to incubate the device, allowing operation in the field. Combining advantages from various established tests of antibacterial performance, this allows the comparison of a specific antibiotics and bacteria. Also, this system can create and test several antibiotic formulations for therapeutic use, and we demonstrate this potential by investigating a mixture of pathogens that are only killed by a mixture of drugs

High-resolution Mn K-edge x-ray emission and absorption spectroscopy study of the electronic and local structure of the three different phases in Nd0.5Sr0.5MnO3

Nd0.5Sr0.5MnO3 is particularly representative of mixed-valent manganites since their three characteristic macroscopic phases (charge-ordered insulator, ferromagnetic-metallic, and paramagnetic insulator) appear at different temperatures.We here report a complete x-ray emission and absorption spectroscopy (XES-XAS) study of Nd0.5Sr0.5MnO3 as a function of temperature to investigate the electronic and local structure changes of the Mn atom in these three phases. Compared with the differences in the XES-XAS spectra between Nd0.5Sr0.5MnO3 and the single-valent reference compounds NdMnO3 (Mn3+) and Sr/CaMnO3 (Mn4+), only modest changes have been obtained across the magnetoelectrical transitions. The XES spectra, including both the Mn Kα and Kβ emission lines, have mainly shown a subtle decrease in the local spin density accompanying the passage to the ferromagnetic-metallic phase. For the same phase, the small intensity variations in the pre-edge region of the high-resolution XAS spectra reflect an increase of the p-d mixing. The analysis of these XAS spectra imply a charge segregation between the two different Mn sites far from one electron, being in intermediate valences Mn+3.5±δ/2(δ < 0.2 e−) for all the phases. Our results indicate that the spin, charge, and geometrical structure of the Mn atom hardly change among the three macroscopic phases demonstrating the strong competition between the ferromagnetic conductor and the charge-0rdered insulator behaviors in the manganites

The magnetic exciton of EuS revealed by resonant inelastic x-ray scattering

We report the valence-to-core resonant inelastic x-ray scattering (RIXS) of EuS measured at the L3 edge of Eu. The obtained data reveal two sets of excitations: one set is composed of a hole in the S 3p bands and an electron excited to extended Eu 5d band states, the other is made up from a hole in the Eu 4f states and an electron in localized Eu 5d states bound to the 4f hole by its Coulomb potential. The delocalized excitations arise from the dipole-allowed 5d to 2p emissions, whereas the localized excitations result from the dipole-forbidden (quadrupole-allowed) 4f to 2p emissions. Both these emission channels have a comparable intensity thanks to a small number of occupied 5d states (approximately 0.6) combined with a large number of occupied 4f states (seven). We identify the localized electron-hole pairs with the "magnetic excitons" suggested in the past as an interpretation of the sharp features seen in the optical absorption spectra. Our observations provide a direct experimental evidence of these excitons which has been missing up to now.Comment: 7 pages, 4 figures, supplemental material (PDF, 8 pages) added as an ancillary fil

Galactic Twins of the Ring Nebula Around SN1987A and a Possible LBV-like Phase for Sk-69 202

Some core-collapse supernovae show clear signs of interaction with dense circumstellar material that often appears to be non-spherical. Circumstellar nebulae around supernova progenitors provide clues to the origin of that asymmetry in immediate pre-supernova evolution. Here I discuss outstanding questions about the formation of the ring nebula around SN1987A and some implications of similar ring nebulae around Galactic B supergiants. Several clues hint that SN1987A's nebula may have been ejected in an LBV-like event, rather than through interacting winds in a transition from a red supergiant to a blue supergiant.Comment: 2 pages, to appear in procedings of "Massive stars: fundamental parameters and circumstellar interactions", conference in honor of Virpi Niemela's 70th birthda

On the rotational dynamics of magnetically threaded disks around neutron stars

We investigate the rotational dynamics of disk accretion around a strongly magnetized neutron star with an aligned dipole field. The magnetospheric field is assumed to thread the disk plasma both inside and outside the corotation radius. As a result of disk-star interaction, the magnetic torque on the disk affects the structure of accretion flow to yield the observed spin- up or spin- down rates for a source of given fastness, magnetic field strength, and mass accretion rate. Within the model we obtain a prescription for the dynamical viscosity of such magnetically modified solutions for a Keplerian disk. We then use this prescription to find a model solution for the rotation rate profile throughout the entire disk, including the non-Keplerian inner disk. We find that the non-Keplerian angular velocity transition region is not necessarily narrow for a source of given spin state. The boundary layer approximation, as in the standard magnetically threaded disk model, holds only in the case of dynamical viscosity decreasing all the way to the innermost edge of the disk. These results are applied to several observed disk-fed X-ray pulsars that have exhibited quasi-periodic oscillations (QPOs). The QPO frequencies provide a constraint on the fastness parameter and enable one to determine uniquely the width of the angular velocity transition zone for each source within model assumptions. We discuss the implications of these results on the value of the critical fastness parameter for a magnetized star in spin equilibrium. Applications of our model are also made with relevant parameters from recent numerical simulations of quasi-stationary disk - magnetized star interactions

Організаційно-економічне забезпечення розвитку електронної промисловості

Розкрито питання організаційно-економічного забезпечення електронної промисловості в рамках організаційно-економічного механізму розвитку електронної промисловості на інноваційній основі, який регламентує діяльність державних, галузевих і підприємницьких структур, що забезпечують розвиток електронної промисловості. Ключові слова: електронна промисловість, організаційне забезпечення розвитку електронної промисловості, організаційно-економічний механізм, інноваційний розвиток.  Раскрываются вопросы организационно-экономического обеспечения электронной промышленности в рамках организационно-экономического механизма развития электронной промышленности на инновационной основе, который регламентирует деятельность государственных, отраслевых и предпринимательских структур, обеспечивающих развитие электронной промышленности. Ключевые слова: электронная промышленность, организационное обеспечение развития электронной промышленности, организационно-экономический механизм, инновационное развитие.  The paper deals with the issues of organizational and economic support of electronic industry in the framework of the organizational and economic mechanism of the above industry development on the basis of innovation. It regulates the activities of the government, sectoral and business organizations, which provide the development of the electronic industry. The proposalsare as follows: to work out a State Program of Development of the Electronic Industry, andto create a sectoral information system, a cluster “development of the electronic industry”, holding the electronic industry, a sectoral technology transfer system, training educational and scientific centres for the engineering staff. It is shown that at a corporate level the development of electronic industry is promoted by establishment of production facilities with the use of well-known brands and foreign electronic productions, technologies transfer with consideration of supply channels, introduction of business market mechanisms, IPC standards, and production information systems PDM/PLM. A specific feature of these measures is that to develop the issues of financial and economic, technical and technological, innovation and market support of the electronic industry development the methods of grouping, generalization of economic indicators received from the enterprises of this industry, and economic mathematical modelling using a correlation regression and structural logical analysis have been used. The application of these methods suggests that the use of the organizational and economic support contributes to promising development of the electronic industry in Ukraine which consists in formation of the core of the electronic industry and its integration in the world electronic space in the future. Keywords: electronic industry, organizational support of electronic industry development, organizational and economic mechanism, innovation-based development