Theory for p-wave Feshbach molecules

We determine the physical properties of p-wave Feshbach molecules in doubly spin-polarized 40K and find excellent agreement with recent experiments. We show that these molecules have a large probability Z to be in the closed channel or bare molecular state responsible for the Feshbach resonance. In the superfluid state this allows for observation of Rabi oscillations between the molecular and atomic components of the Bose-Einstein condensed pairs, which contains a characteristic signature of the quantum phase transition that occurs as a function of applied magnetic field.     

Linear and branched polyester resins based on dimethyl-2,5-furandicarboxylate for coating applications

In this study, novel bio-based hydroxyl-end-capped (co)polyesters from dimethyl-2,5-furandicarboxylate (DMF), 2,3-butanediol, and a variety of comonomers viz. glycerol, pentaerythritol or trimethylolpropane are prepared using a solvent-free, bulk polycondensation technique. Extensive molecular and thermal characterization was performed to elucidate the properties of these materials. The materials showed suitable properties for solvent-borne coating applications in terms of their molecular weight, functionality and thermal characteristics, and coatings were prepared using the isocyanurate of hexamethylene diisocyanate as a cross-linker. The resulting coatings, having thicknesses between 30 and 55 μm, were hard but rather brittle. All the coatings have good solvent resistance, pointing to sufficient network formation. It is clear that the presented DMF-based polyesters show promise as bio-based coating resins.     

Scattering resonances in slow NH3-He collisions

We theoretically study slow collisions of NH(3) molecules with He atoms, where we focus in particular on the observation of scattering resonances. We calculate state-to-state integral and differential cross sections for collision energies ranging from 10(-4) cm(-1) to 130 cm(-1), using fully converged quantum close-coupling calculations. To describe the interaction between the NH(3) molecules and the He atoms, we present a four-dimensional potential energy surface, based on an accurate fit of 4180 ab initio points. Prior to collision, we consider the ammonia molecules to be in their antisymmetric umbrella state with angular momentum j = 1 and projection k = 1, which is a suitable state for Stark deceleration. We find pronounced shape and Feshbach resonances, especially for inelastic collisions into the symmetric umbrella state with j = k = 1. We analyze the observed resonant structures in detail by looking at scattering wavefunctions, phase shifts, and lifetimes. Finally, we discuss the prospects for observing the predicted scattering resonances in future crossed molecular beam experiments with a Stark-decelerated NH(3) beam.     

Sarma phase in trapped unbalanced fermi gases

We consider a trapped unbalanced Fermi gas at nonzero temperatures where the superfluid Sarma phase is stable. We determine, in particular, the phase boundaries between the superfluid, normal, and phase-separated regions of the trapped unbalanced Fermi mixture. We show that the physics of the Sarma phase is sufficient to understand the recent observations of Zwierlein et al. [Science 311, 492 (2006); Nature (London) 442, 54 (2006)] and indicate how the apparent contradictions between this experiment and the experiment of Partridge et al. [Science 311, 503 (2006)] may be resolved.     

Scattering of Stark-decelerated OH radicals with rare-gas atoms

We present a combined experimental and theoretical study on the rotationally inelastic scattering of OH (X²Π_3/2, J = 3/2, f) radicals with the collision partners He, Ne, Ar, Kr, Xe, and D₂ as a function of the collision energy between ～70 cm^?1 and 400 cm^?1. The OH radicals are state selected and velocity tuned prior to the collision using a Stark decelerator, and field-free parity-resolved state-to-state inelastic relative scattering cross sections are measured in a crossed molecular beam configuration. For all OH-rare gas atom systems excellent agreement is obtained with the cross sections predicted by coupled channel scattering calculations based on accurate ab initio potential energy surfaces. This series of experiments complements recent studies on the scattering of OH radicals with Xe [J.J. Gilijamse, S. Hoekstra, S.Y.T. van de Meerakker, G.C. Groenenboom, G. Meijer, Science 313, 1617 (2006)], Ar [L. Scharfenberg, J. K?os, P.J. Dagdigian, M.H. Alexander, G. Meijer, S.Y.T. van de Meerakker, Phys. Chem. Chem. Phys. 12, 10660 (2010)], He, and D₂ [M. Kirste, L. Scharfenberg, J. K?os, F. Lique, M.H. Alexander, G. Meijer, S.Y.T. van de Meerakker, Phys. Rev. A 82, 042717 (2010)]. A comparison of the relative scattering cross sections for this set of collision partners reveals interesting trends in the scattering behavior.     

Partially renewable copolyesters prepared from acetalized d‐glucitol by solid‐state modification of poly(butylene terephthalate)

The backbone of poly(butylene terephthalate) (PBT) was modified with 2,4:3,5‐di‐O‐methylene‐D ‐glucitol (Glux) using solid‐state modification (SSM). The obtained copolyesters proved to have a non‐random overall chemical microstructure. The thermal properties of these semicrystalline, block‐like, Glux‐based materials were extraordinary, showing higher melting points, and glass transition temperatures compared with other sugar‐based copolyesters prepared by SSM. These remarkable thermal properties were a direct result of the inherently rigid structure of Glux and the relatively slow randomization of the block‐like chemical microstructure of the Glux‐based copolyesters in the melt. SSM proved to be a versatile tool for preparing partially biobased copolyesters with superior thermal properties. © 2013 Wiley Periodicals, Inc. J. Polym. Sci., Part A: Polym. Chem. 2014 , 52, 164–177     

Synthesis and characterization of novel renewable polyesters based on 2,5‐furandicarboxylic acid and 2,3‐butanediol

Novel polyesters from 2,5‐furandicarboxylic acid or 2,5‐dimethyl‐furandicarboxylate and 2,3‐butanediol have been synthesized via bulk polycondensation catalyzed by titanium (IV) n‐butoxide, tin (IV) ethylhexanoate, or zirconium (IV) butoxide. The polymers were analyzed by size exclusion chromatography, nuclear magnetic resonance spectroscopy, Fourier transform infrared spectroscopy (FTIR), matrix‐assisted laser ionization‐desorption time‐of‐flight mass spectrometry, electrospray ionization time‐of‐flight mass spectrometry, electrospray ionization quadruple time‐of‐flight mass spectroscopy, thermogravimetric analysis, and differential scanning calorimetry. Fully bio‐based polyesters with number average molecular weights ranging from 2 to 7 kg/mol were obtained which can be suitable for coating applications. The analysis of their thermal properties proved that these polyesters are thermally stable up to 270–300 °C, whereas their glass transition temperature (T_g) values were found between 70 and 110 °C. Furthermore, a material was prepared with a molecular weight of 13 kg/mol, with a T_g of 113 °C. This high T_g would make this material possibly suitable for hot‐fill applications. © 2012 Wiley Periodicals, Inc. J Polym Sci Part A: Polym Chem, 2013     

Chemogenomics and parasitology: small molecules and cell-based assays to study infectious processes

Infectious diseases caused by protozoan parasites--malaria, sleeping sickness, leishmaniasis, Chagas' disease, toxoplasmosis--remain chronic problems for humanity. We lack vaccines and have limited drug options effective against protozoa. Research into anti-protozoan drugs has accelerated with improved in vitro cultivation methods, enhanced genetic accessibility, completed genome sequences for key protozoa, and increased prominence of protozoan diseases on the agendas of well-resourced public figures and foundations. Concurrent advances in high-throughput screening (HTS) technologies and availability of diverse small molecule libraries offer the promise of accelerated discovery of new drug targets and new drugs that will reduce disease burdens imposed on humanity by parasitic protozoa. We provide a status report on HTS technologies in hand and cell-based assays under development for biological investigations and drug discovery directed toward the three best-characterized parasitic protozoa: Trypanosoma brucei, Plasmodium falciparum, and Toxoplasma gondii. We emphasize cell growth assays and new insights into parasite cell biology speeding development of better cell-based assays, useful in primary screens for anti-protozoan drug leads and secondary screens to decipher mechanisms of action of leads identified in growth assays. Small molecules that interfere with specific aspects of protozoan biology, identified in such screens, will be valuable tools for dissecting parasite cell biology and developing anti-protozoan drugs. We discuss potential impacts on drug development of new consortia among academic, corporate, and public partners committed to discovery of new, effective anti-protozoan drugs.