Long-range interactions between polar bialkali ground-state molecules in arbitrary vibrational levels.

We have calculated the isotropic C6 coefficients characterizing the long-range van der Waals interaction between two identical heteronuclear alkali-metal diatomic molecules in the same arbitrary vibrational level of their ground electronic state X(1)Σ(+). We consider the ten species made up of (7)Li, (23)Na, (39)K, (87)Rb, and (133)Cs. Following our previous work [Lepers et al., Phys. Rev. A 88, 032709 (2013)], we use the sum-over-state formula inherent to the second-order perturbation theory, composed of the contributions from the transitions within the ground state levels, from the transition between ground-state and excited state levels, and from a crossed term. These calculations involve a combination of experimental and quantum-chemical data for potential energy curves and transition dipole moments. We also investigate the case where the two molecules are in different vibrational levels and we show that the Moelwyn-Hughes approximation is valid provided that it is applied for each of the three contributions to the sum-over-state formula. Our results are particularly relevant in the context of inelastic and reactive collisions between ultracold bialkali molecules in deeply bound or in Feshbach levels.

Structure of the alkali-metal-atom + strontium molecular ions: towards photoassociation and formation of cold molecular ions.

The potential energy curves, permanent and transition dipole moments, and the static dipolar polarizability, of molecular ions composed of one alkali-metal atom and a strontium ion are determined with a quantum chemistry approach. The molecular ions are treated as effective two-electron systems and are treated using effective core potentials including core polarization, large gaussian basis sets, and full configuration interaction. In the perspective of upcoming experiments aiming at merging cold atom and cold ion traps, possible paths for radiative charge exchange, photoassociation of a cold lithium or rubidium atom and a strontium ion are discussed, as well as the formation of stable molecular ions.

Reinvestigation of the Rb2 (2)3Pi(g)-a 3Sigma(u)+ band on helium nanodroplets.

It is well known that alkali-metal molecules are preferentially observed in the weak van der Waals-bound high spin states by helium droplet isolation spectroscopy. In [F. R. Brühl et al., J. Chem. Phys. 115, 10275 (2001)] the Rb(2) (2)(3)Pi(g)-a (3)Sigma(u)(+) band on He droplets was investigated by laser-induced fluorescence and dispersed emission spectroscopy. At that time no information on the magnitude of spin-orbit coupling was available for the (2)(3)Pi(g) state which connects to the atomic 5s+4d asymptote and it was neglected. In this work we reinvestigate the observed spectra. The dispersed emission spectra, which resulted from free molecules, are consistent with state-of-the-art nonrelativistic potential energy surfaces and effective spin-orbit coupling matrix elements obtained from resonance-enhanced multiphoton ionization spectroscopy of cold Rb dimers [J. Lozeille et al., Eur. Phys. J. D 39, 261 (2006)]. Having validated the theoretical description of the free molecule state, we use the laser-induced fluorescence spectrum to discuss the influence of the He droplet on the excitation band.

Calculation of accurate permanent dipole moments of the lowest 1,3Sigma+ states of heteronuclear alkali dimers using extended basis sets.

Obtaining ultracold samples of dipolar molecules is a current challenge which requires an accurate knowledge of their electronic properties to guide the ongoing experiments. In this paper, we systematically investigate the ground state and the lowest triplet state of mixed alkali dimers (involving Li, Na, K, Rb, Cs) using a standard quantum chemistry approach based on pseudopotentials for atomic core representation, Gaussian basis sets, and effective terms for core polarization effects. We emphasize on the convergence of the results for permanent dipole moments regarding the size of the Gaussian basis set, and we discuss their predicted accuracy by comparing to other theoretical calculations or available experimental values. We also revisit the difficulty to compare computed potential curves among published papers, due to the differences in the modelization of core-core interaction.

[Orthotopic tibiofibular fusion: indications--technique--results]. / Die orthotope tibiofibulare Fusion: Indikation--Technik--Ergebnisse.

Between 1988 and 1992, 54 patients with complicated tibial non-union were treated by tibio-fibular fusion. In 6 cases of comminuted fracture the operation was performed within the first 2 months, especially in the case of distal fractures. Fifteen patients suffered from aseptic tibial pseudarthrosis, and further 6 from an additional defect. In 25 patients treatment for infected non-union was needed and in 3 cases tibio-fibular synostosis was induced after segmental transport and non-docking. Most of the patients had conspicuous soft tissue lesions, and 14 required transplantation of a regional or free flap. So far 46 patients have completed their treatment. In 44 cases full weight-bearing on the affected leg is possible. In 2 cases the treatment failed. None of our patients required limb amputation at the site of synostosis. In 13 cases the follow-up showed clearly that the axis was not right, in 11 cases a varus deformity. Most of these deviations have not been corrected because of poor quality of the soft tissue coverage. We suggest this method be used as part of a technique allowing the fibula to stay in its original position while providing tibio-fibular fusion by interposition of autologous cancellous bone grafting and transfixing screws. Additional stabilization might be achieved by using an external fixator, for preference. Partial weight-bearing is allowed after 2 weeks and full weight-bearing is attained on average after 3-4 months. Concerning the initial lesion, the primary aim of the treatment should be the recovery of full weight-bearing without an additional device and without chronic infection.(ABSTRACT TRUNCATED AT 250 WORDS)

The treatment of infected tibial pilon fractures.

A total of 33 patients with infection after pilon fracture were retrospectively reviewed from 1988 to 1992. Twenty patients were transfered from peripheral hospitals with active osteitis, 13 patients were treated primarily in our hospital. Factors inducing infection in this group of patients are discussed critically. All patients underwent radical debridement. Restoration of bone stability was required in 72%. Due to the extent of infection, segmental resection had to be perfomed on 7 patients. Resulting soft tissue defects were closed with free flaps in 11 cases. Infection was controlled in 31 patients (93%), but only 8 could be classified as "cured" (24%). Two patients had amputations after failure of treatment. Despite successful therapy, the functional results are poor. Therefore, avoiding infection, has top priority in the post fracture treatment. The correct form of osteosynthesis adapted to the soft tissue lesion can lower infection rates significantly. Soft tissue defects, resulting from open fractures or after primary treatment, have to be closed by flap transfer within a short period of time. The management of the soft tissue is at least as important as the reconstruction of the bone in the treatment of pilon fractures.

[Surgical treatment of diaphyseal tibial fractures. Choice of procedure and results of treatment of 187 fractures]. / Die operative Behandlung diaphysärer Tibiafrakturen. Verfahrenswahl und Behandlungsergebnisse von 187 Frakturen.

From 1988 to 1990 a total of 187 fractures of the tibia (92 compound, 95 closed fractures) were treated with a primary osteosynthesis. In 102 fractures an external fixation was performed, 85 internal fixations were divided into 58 intramedullary nails and 27 plates. In a follow-up study the fracture healing was analysed, 90% of the patients were examined about 18 months after the accident. The mean healing time was between 12 weeks (internal fixation) and 16 weeks (external fixateur). After primary Fixateur externe 54 were treated by secondary internal fixation, intramedullary nailing was the method of choice. Contamination rate of the tibia, taken by an intraoperative wound swab before nailing was 30%. Infection occurred in 3.2%, non union and refractures in 1.5% and 1%. Over all 80% excellent and good results were found after consolidation. 10% fair and 10% bad results including three amputations after III degrees compound fractures and three death after polytrauma.

Metabolism of 14C-dehydroepiandrosterone in female adipose tissue and venous blood.

The metabolism of dehydroepiandrosterone in female adipose tissue and venous blood in 11 patients was studied by a double isotope method which is described in detail. The main metabolite isolated, identified and quantitated was androstenediol. The conversion rate of dehydroepiandrosterone to androstenediol for adipose tissue ranged between 3.32-14.28% (X = 7.47 +/- 3.34 SD) and for venous blood between 2.88-9.60% (X = 5.84 +/- 1.80 SD). The values found for androstenedione and testostrone did not differ from the control experiments. Oestrone and oestradiol could not be detected. The contribution of the peripheral steroid metabolism to the pool of androgenic steroids is discussed.