Systematic study of the static electrical properties of the CO molecule: influence of the basis set size and correlation energy

The influence of the basis set size and the correlation energy in the static electrical properties of the CO molecule is assessed. In particular, we have studied both the nuclear relaxation and the vibrational contributions to the static molecular electrical properties, the vibrational Stark effect (VSE) and the vibrational intensity effect (VIE). From a mathematical point of view, when a static and uniform electric field is applied to a molecule, the energy of this system can be expressed in terms of a double power series with respect to the bond length and to the field strength. From the power series expansion of the potential energy, field-dependent expressions for the equilibrium geometry, for the potential energy and for the force constant are obtained. The nuclear relaxation and vibrational contributions to the molecular electrical properties are analyzed in terms of the derivatives of the electronic molecular properties. In general, the results presented show that accurate inclusion of the correlation energy and large basis sets are needed to calculate the molecular electrical properties and their derivatives with respect to either nuclear displacements or/and field strength. With respect to experimental data, the calculated power series coefficients are overestimated by the SCF, CISD, and QCISD methods. On the contrary, perturbation methods (MP2 and MP4) tend to underestimate them. In average and using the 6-311 + G(3df) basis set and for the CO molecule, the nuclear relaxation and the vibrational contributions to the molecular electrical properties amount to 11.7%, 3.3%, and 69.7% of the purely electronic μ, α, and β values, respectively

Predictors of leadership: The usual suspects and the suspect traits

In this chapter, I review literature on traits (i.e., individual differences) and their links to leader outcomes. I present an integrated model, the ascription-actuality trait theory, to explain two routes to leader outcomes that stem from traits: the route that objectively matters and the route that appears to matter but objectively may not. I discuss the history of trait research and provide criteria by which we should judge the validity of trait models. Finally, I review trait models that are the most predictive of leadership outcomes and identify those that are non-starters.

A collagen-poly(lactic acid-co-ɛ-caprolactone) hybrid scaffold for bladder tissue regeneration.

Scaffold materials should favor cell attachment and proliferation, and provide designable 3D structures with appropriate mechanical strength. Collagen matrices have proven to be beneficial scaffolds for tissue regeneration. However, apart from small intestinal submucosa, they offer a limited mechanical strength even if crosslinking can enhance their mechanical properties. A more cell-friendly way to increase material strength is to combine synthetic polymer meshes with plastic compressed collagen gels. This work describes the potential of plastic compressed collagen-poly(lactic acid-co-ɛ-caprolactone) (PLAC) hybrids as scaffolds for bladder tissue regeneration. Human bladder smooth muscle and urothelial cells were cultured on and inside collagen-PLAC hybrids in vitro. Scaffolds were analyzed by electron microscopy, histology, immunohistochemistry, and AlamarBlue assay. Both cell types proliferated in and on the hybrid, forming dense cell layers on top after two weeks. Furthermore, hybrids were implanted subcutaneously in the backs of nude mice. Host cell infiltration, scaffold degradation, and the presence of the seeded bladder cells were analyzed. Hybrids showed a lower inflammatory reaction in vivo than PLAC meshes alone, and first signs of polymer degradation were visible at six months. Collagen-PLAC hybrids have potential for bladder tissue regeneration, as they show efficient cell seeding, proliferation, and good mechanical properties.

[Archives de la Parole]. , From Srikrishna [Sri Krishna: Nipat Kapat Tuya Syam] (Bengali Band) / Frederick William Gaisberg, collecteur ; Classic Theatre Concert Co. [i.e. Classic Theatre Concert Company Band], orchestre

[Traditions. Asie. Inde]

[Archives de la Parole]. , From Alibaba [Ali Baba : Chand Chakorey] (Bengali Band) / Frederick William Gaisberg, collecteur ; Classic Theatre Concert Co. [i.e. Classic Theatre Concert Company Band], orchestre

[Traditions. Asie. Inde]

[Archives de la Parole]. , Tune Khanabaj [Tune Khanabaj, Khambaj] (Bengali Band) / Frederick William Gaisberg, collecteur ; Classic Theatre Concert Co. [i.e. Classic Theatre Concert Company Band], orchestre

[Traditions. Asie. Inde]

[Archives de la Parole]. , From Dole Lila [Dole Lila : Bahiye Bahiye Jai] (Bengali Band) / Frederick William Gaisberg, collecteur ; Classic Theatre Concert Co. [i.e. Classic Theatre Concert Company Band], orchestre

[Traditions. Asie. Inde]

A Report on the Restructuring and Downsizing of Iowa State Government, prepared by Peat, Marwick, Mitchell & Co., 1985.

This report investigates the structure, form, and financial situation of the Executive branch of the State of Iowa. And makes suggestions on how to reduce infrastructure in order to reach the goal of saving money and balancing the budget.

HIV-1 co/super-infection in intravenous drug users.

BACKGROUND: The frequency of HIV-1 co/super-infection is unknown despite their implications for public health and vaccine development. This issue was addressed during an epidemic of both CRF11 and B subtype among intravenous drug users (IVDUs). METHODS: Bulk sequencing of reverse transcriptase, protease and C2V3 regions and subtype-specific nested polymerase chain reaction (PCR) in plasma and proviral DNA were performed using baseline and follow-up samples collected in recently infected IVDUs between 1998-2002 and in IVDUs with chronic infection living in the same area and presenting an unexpected rise of viremia (> 1 log10). RESULTS: In 58 recently infected patients, three B/CRF-11 co-infections, 25 B, 28 CRF-11 and two other subtypes were detected at baseline. In the three co-infected patients, both CRF-11 and B were detected in plasma and proviral DNA and persisted during follow-up. B- and CFR-11-specific PCR performed on follow-up samples of 40 of 58 recently infected patients (median follow-up, 14.5 months) revealed a transient B super-infection in a patient initially infected by CRF-11. Five of 156 chronic IVDUs (total follow-up: 346 years) had an unexpected rise of viremia. In two of them, aviremic without treatment for years after an initial B infection, a symptomatic CRF-11 super-infection occurred and was associated with high viral load and a fall of CD4 cell count. CONCLUSIONS: In recently infected IVDUs, co-infection B/CRF-11 is relatively frequent (5%). In chronically infected IVDUs super-infection may be transient and may occur in patients controlling efficiently HIV infection by the initial strain.

An evolutionary model explaining the Neolithic transition from egalitarianism to leadership and despotism.

The Neolithic was marked by a transition from small and relatively egalitarian groups to much larger groups with increased stratification. But, the dynamics of this remain poorly understood. It is hard to see how despotism can arise without coercion, yet coercion could not easily have occurred in an egalitarian setting. Using a quantitative model of evolution in a patch-structured population, we demonstrate that the interaction between demographic and ecological factors can overcome this conundrum. We model the coevolution of individual preferences for hierarchy alongside the degree of despotism of leaders, and the dispersal preferences of followers. We show that voluntary leadership without coercion can evolve in small groups, when leaders help to solve coordination problems related to resource production. An example is coordinating construction of an irrigation system. Our model predicts that the transition to larger despotic groups will then occur when: (i) surplus resources lead to demographic expansion of groups, removing the viability of an acephalous niche in the same area and so locking individuals into hierarchy; (ii) high dispersal costs limit followers' ability to escape a despot. Empirical evidence suggests that these conditions were probably met, for the first time, during the subsistence intensification of the Neolithic.

The Prenatal Lausanne Trilogue Play: A New Observational Assessment Tool of the Prenatal Co-Parenting Alliance

The goal of this study is to present a new observational assessment tool, the prenatal Lausanne Trilogue Play situation (LTP). Expectant parents were asked to role play their first meeting with their baby using a doll, and the videotaped interaction was subsequently coded. Scores were correlated with measures of the couples' marital satisfaction as well as the postnatal family alliance 3 months after the baby's birth. Results showed that the prenatal co-parenting alliance was positively linked to both fathers' marital satisfaction as well as to the postnatal family alliance at 3 months. Thus, the prenatal LTP allows for assessment of the prenatal co-parenting alliance at the interactional level. It predicts the place the parents will afford their baby after birth and can contribute to methods of clinical assessment and prevention.

Efeito da omissão de N, NI, Mo, Co e S sobre os teores de N e S em feijoeiro

Foi avaliado o efeito da omissão de N, Ni, Mo, Co e S sobre os teores de N e S em feijoeiros (Phaseolus vulgaris ) inoculados e não inoculados com Rhizobium, em casa de vegetação. O experimento foi realizado em um esquema fatorial com dois tipos de solo (Neossolo Flúvico), dois níveis de inoculação (com e sem), combinados com seis adubações: (a) Completo (N, P, K, Ni, Mo, Co e S); (b) sem N; (c) sem Ni; (d) sem Co; (e) sem Mo; (f) sem S. O delineamento experimental foi inteiramente casualizado com três repetições. Foram fornecidos 126 mg kg-1 de N (parcelados no plantio, aos 10 e 25 dias da emergência - DAE), 248 mg kg-1 de P, 117 de K e 48 de S, aplicados no solo, e 10, 250 e 10 mg L-1 de Ni, Mo e Co, respectivamente, aplicados via foliar aos nove DAE. A colheita foi efetuada aos 35 DAE, separando-se a folha indicadora das demais. A adubação nitrogenada aumentou o crescimento das plantas, indicando serem os solos deficientes em N, bem como reduziu os teores foliares de N e S. A omissão dos demais nutrientes não alterou o crescimento das plantas nem o teor de N foliar, mas a omissão de S reduziu, como esperado, o teor de S foliar.