Crystal engineering of the composition of pharmaceutical phases

The carboxylic acid-pyridine supramolecular heterosynthon can be exploited to predictably generate binary crystalline phases involving rac-ibuprofen, rac-flurbiprofen or aspirin.     

Synthesis of Plasmonic Group‐4 Nitride Nanocrystals by Solid‐State Metathesis

Ceramic nanoparticles that exhibit a plasmonic response are promising next‐generation photonic materials. In this contribution, a solid‐state metathesis method has been reported for the synthesis of Group 4 nitride (TiN, ZrN, and HfN) nanocrystals. A high‐temperature (1000 °C) reaction between Group 4 metal oxide (TiO₂, ZrO₂, and HfO₂) nanoparticles and magnesium nitride powder yielded nitride nanocrystals that were dispersible in water. A localized surface plasmonic resonance was observed in the near‐infrared region for TiN and in the visible region of light for ZrN and HfN nanocrystals. The frequency of the plasmon resonance was dependent on the refractive index of the solvent and the nanocrystal size.     

Measurement of the single-jet invariant cross section at Fermilab

In an experiment performed at Fermilab we have studied the production of high p_t hadron jets from 400 GeV/c pp interactions. A large solid-angle, towered calorimeter was used to trigger and reconstruct the jet events. We report results for inclusive single-jet production and compare those results with QCD predictions and results obtained at the ISR and the SPS Collider.     

THE EFFECT OF PHOSPHORYLATION UNCOUPLERS AND ELECTRON TRANSPORT INHIBITORS UPON SPECTRAL SHIFTS AND DELAYED LIGHT EMISSION OF PHOTOSYNTHETIC BACTERIA

Abstract— Delayed light emission (measured 4 msec after excitation) and the light-induced red shifts of the bacteriochlorophyll and carotenoid absorption bands of chromatophores of Rhodopseudomonas spheroides were inhibited by a variety of reagents. These included anti-mycin A, NQNO, CCCP, desaspidin, quinacrine, chlorpromazine, 2,4-dinitrophenol, gramicidin D, Triton X-100 and valinomycin in the presence of potassium, cesium or ammonium ions. Delayed light emission was enhanced by orthophenanthroline, ethanol, succinate and glutathione.
Delayed light emission from chromatophores of Rhodospirillum rubrum was attenuated during photophosphorylation but restored approximately to its initial value in the presence of oligomycin. Since the delayed light and band shifts are inhibited under conditions which tend to deplete or block the formation of high energy phosphorylation intermediate, it is suggested that the presence of a high energy intermediate is a prerequisite for the appearance of each of the three phenomena.     

Evidence for the pairwise disposition of grafting sites on highly dehydroxylated silicas via their reactions with Ga(CH3)3

Molecules encountering silica interfaces interact primarily with the hydroxyl groups that terminate the bulk structure. When the nominal surface density is very low, these "silanols" are presumed to be isolated. Nevertheless, silicas that are highly dehydroxylated by pretreatment at 800 °C react with Ga(CH(3))(3) at room temperature to give primarily disilanolate-bridged digallium sites, [(CH(3))(2)Ga(μ-OSi≡)](2). The EXAFS at the Ga K-edge shows a prominent Ga-Ga scattering path, regardless of whether an excess or a limiting amount of Ga(CH(3))(3) is used. Some dimers are formed by the concerted reaction of Ga(CH(3))(3) with an "isolated" silanol and an adjacent siloxane bond. These grafting sites are proposed to be hydroxyl-substituted 2-rings, formed by condensation within a vicinal Q(2)-Q(3) pair. Other dimers are formed by reaction of Ga(CH(3))(3) with vicinal Q(3)-Q(3) pairs which have not condensed, even at 800 °C. In a computational model for the dimer sites, the O-O distance is <2.6 ?, which is far shorter than the calculated mean interhydroxyl separation for the thermally treated silicas (12.2 ?). This highly nonrandom distribution of surface silanols, in combination with the coupled reaction of "isolated" silanols and strained siloxane bonds, accounts for the preferential formation of grafted site pairs rather than isolated grafted sites when silica surfaces are chemically modified.     

Excitation pathways and efficiency of Eu ions in GaN by site-selective spectroscopy

Using combined excitation emission spectroscopy, we performed a comparative study of europium ions in GaN in samples that have been in situ doped during interrupted growth epitaxy (IGE) or conventional molecular beam epitaxy (MBE) as well as samples that were grown using organometallic vapor phase epitaxy (OMVPE) and subsequently ion implanted with Eu ions. Through site-selective resonant excitation, we are able to unambiguously assign all major observed transitions to a combination of different incorporation sites and electron–phonon coupled transitions. We identified at least nine different incorporation sites of Eu ions in GaN and studied how these sites behave under different excitation conditions and how their relative number is modified by different growth and doping conditions. The coupling to phonons has also been studied for a series of Al _x Ga_1−x N samples with x=0…1. We find that a main site most resembling an unperturbed Eu ion on Ga site is always dominant, while the minority sites are changing substantially in relative numbers and can occur in some samples fairly close in emission intensity to the main site. In terms of the excitation pathway after the creation of electron-hole pairs, we found three types of centers: (1) sites that are dominantly excited through shallow defect traps; (2) sites that are excited through a deep defect trap; (3) sites that cannot be excited at all including the majority of the main sites. We interpret this finding to indicate that the ion in this environment is not very efficient in trapping excitation and that the indirect excitation involving other traps depends on the ion/trap distance. Many of the main sites are far away from these traps and cannot be excited through this channel at all. The efficiency of excitation is highest for the deep traps, indicating that it would be desirable to enrich the respective site, as has been done with some success in the IGE grown samples.     

High-performance silicon nanopore hemofiltration membranes

Silicon micromachining provides the precise control of nanoscale features that can be fundamentally enabling for miniaturized, implantable medical devices. Concerns have been raised regarding blood biocompatibility of silicon-based materials and their application to hemodialysis and hemofiltration. A high-performance ultrathin hemofiltration membrane with monodisperse slit-shaped pores was fabricated using a sacrificial oxide technique and then surface-modified with poly(ethylene glycol) (PEG). Fluid and macromolecular transport matched model predictions well. Protein adsorption, fouling, and thrombosis were significantly inhibited by the PEG. The membrane retained hydraulic permeability and molecular selectivity during a 90-h hemofiltration experiment with anticoagulated bovine whole blood. This is the first report of successful prolonged hemofiltration with a silicon nanopore membrane. The results demonstrate feasibility of renal replacement devices based on these membranes and materials.     

Stereodynamics of triethylamine: Molecular mechanics calculations on the direct rotational racemization of the C3-symmetric conformers

The direct interconversion of the two C₃-symmetric enantiomeric conformations of triethylamine, via C? N bond rotation, has been studied by molecular mechanics (MM 2) calculations. The MM 2 calculations have been used to characterize the minima (equilibrium geometries) and first-order saddle points (transition states) for this process. For one interconversion, there are five saddle points and six minima. The highest energy saddle point results from the uncoupled rotation of one ethyl group to eclipse the lone pair. Two of the barriers result from coupled rotation of two ethyl groups in close passage.     

Experimental information on the pion gluon distribution function

An experiment performed at Fermilab used double-arm calorimeter triggers to study di-jet production by 400 GeV protons and 200 GeVπ ^? mesons incident on liquid hydrogen. The observed ratio of positive to negative leading particles in the jets was compared forpp andπp production using a tree level parton scattering model. The results are moderately sensitive to the form of the pion gluon distribution function and yieldx g(x)?(1?x)^{2.75±0.40±0.75}.