Gaseous transport properties of the ground and excited Cr, Co, and Ni cations in He: Ab initio study of electronic state chromatography.

The electronic state chromatography (ESC) effect allows the differentiation of ions in their ground and metastable states by their gaseous mobilities in the limit of low electrostatic fields. It is investigated here by means of accurate transport calculations with ab initio ion-atom potentials for the Cr, Co, and Ni cations in He buffer gas near room temperature. The values for the open-shell ions in degenerate states are shown to be well approximated by using the single isotropic interaction potential. Minimalistic implementation of the multireference configuration interaction (MRCI) method is enough to describe the zero-field transport properties of metastable ions in the 3dm-14s configuration, such as Cr+(a6D), Co+(a5F), and Ni+(4F), due to their weak and almost isotropic interaction with He atom and the low sensitivity of the measured mobilities to the potential well region. By contrast, interactions involving the ions in the ground 3dm states, such as Cr+(a6S), Co+(a3F), and Ni+(2D), are strong and anisotropic; the MRCI potentials poorly describe their transport coefficients. Even the coupled cluster with singles, doubles, and non-iterative triples approach taking into account vectorial spin-orbit coupling may not be accurate enough, as shown here for Ni+(2D). The sensitivity of ion mobility and the ESC effect to interaction potentials, similarities in ion-He interactions of the studied ions in distinct configurations, accuracy and possible improvements of the ab initio schemes, and control of the ESC effect by macroscopic parameters are discussed. Extensive sets of improved interaction potentials and transport data are generated.

Mobility of the Singly-Charged Lanthanide and Actinide Cations: Trends and Perspectives.

The current status of gaseous transport studies of the singly-charged lanthanide and actinide ions is reviewed in light of potential applications to superheavy ions. The measurements and calculations for the mobility of lanthanide ions in He and Ar agree well, and they are remarkably sensitive to the electronic configuration of the ion, namely, whether the outer electronic shells are 6s, 5d6s or 6s2. The previous theoretical work is extended here to ions of the actinide family with zero electron orbital momentum: Ac+ (7s2, 1S), Am+ (5f77s 9S°), Cm+ (5f77s2 8S°), No+ (5f147s 2S), and Lr+ (5f147s2 1S). The calculations reveal large systematic differences in the mobilities of the 7s and 7s2 groups of ions and other similarities with their lanthanide analogs. The correlation of ion-neutral interaction potentials and mobility variations with spatial parameters of the electron distributions in the bare ions is explored through the ionic radii concept. While the qualitative trends found for interaction potentials and mobilities render them appealing for superheavy ion research, lack of experimental data and limitations of the scalar relativistic ab initio approaches in use make further efforts necessary to bring the transport measurements into the inventory of techniques operating in "one atom at a time" mode.

Extended combination rule for like-atom dipole dispersion coefficients.

An extended combination rule is proposed to relate the dipole-dipole dispersion coefficient for the interaction of the like target species to the same coefficients for the interactions between the target and a set of partner species. The rule can be derived either by uniform discretization of the Casimir-Polder integral on a quadrature or by relating the dynamic dipole polarizabilities of the target species and the partner species. Both methods result in the same system of linear equations, whose solution also requires the knowledge of the dispersion coefficients for interaction between the partner species. The test examples indicate a high accuracy of the proposed rule for dispersion coefficients (better than 1% in the stringent test for the Yb atom interacting with a rare gas and alkaline-earth metal atoms). However, the combination rule does not warrant correct approximation of the dynamic polarizability of the target species.

Polarizabilities, dispersion coefficients, and retardation functions at the complete basis set CCSD limit: From Be to Ba plus Yb.

Static and dynamic polarizabilities of alkaline earth metal atoms Be-Ba and of the Yb atom, as well as dispersion coefficients and retardation functions for their long-range interactions, are used as a benchmark for the restricted coupled cluster method with singles and doubles (CCSD) and noniterative triples added [CCSD(T)] and related polarization propagator CCSD(3) methods at the complete basis set limit. The latter is attained through the sequence of the augmented correlation-consistent polarized weighted core valence n-zeta basis sets with the exact 2-component approximation for the scalar relativistic effects and with the small-core effective core potentials (for Ca, Sr, and Ba). At the converged level of core correlation treatment, the finite-field CCSD(T) method reproduces the best available data for the static dipole and quadrupole polarizabilities better than 1% and 4%, respectively. Systematic cancelation of the triple contribution in the CCSD(3) calculations of the dynamic polarizabilities of alkaline earth metal atoms makes their dispersion coefficients accurate within 3%. The retardation functions are computed and used for the analysis of the long-range interactions in the homonuclear dimers. Implications to accurate ab initio calculations of the global interaction potentials are discussed.

Ethical, pedagogical, socio-political and anthropological implications of quaternary prevention / Implicações éticas, pedagógicas, sócio-políticas e antropológicas da prevenção quaternária / Implicaciones éticas, pedagógicas, sociopolíticas y antropológicas de la prevención cuaternaria

The concept of quaternary prevention, resulting from a reflection on the doctor-patient relationship, is presented as a renewal of the age-old ethical requirement: first, a doctor must do no harm; second, the doctor must control himself/herself. The origin of the concept, its endorsement by the World Organization of Family Doctors (WONCA) and the European Union of General Practitioners (UEMO), its dissemination, and the debates to which it has given rise, are presented by a panel of authors from 10 countries. This collective text deals more specifically with: the bioethics of prevention, the importance of teaching Quaternary prevention and factual medicine, the social and political implications of the concept of quaternary prevention, and its anthropological dimensions.

The Difficult Choice of "Not Doing" Comment on "Quaternary Prevention, an Answer of Family Doctors to Overmedicalization".

The article of Marc Jamoulle shows the importance of the contribution of general practitioners (GPs) in improving the quality and the efficiency of the health systems. Starting from the concept of quaternary prevention for reducing excessive costs in the preventive procedures, he suggests a change of paradigm in every daily activity of the GP in order to have a stronger ethical approach to the patient. This means spending more time in the consultation in order to better understand her/his real needs and share a common decision for minimizing the costs and solving the patient's problems in agreement with her/his believes and values.

The Cage Structure of Indan-CHF3 is Based on the Cooperative Effects of C-H⋠⋠⋠π and C-H⋠⋠⋠F Weak Hydrogen Bonds.

The structural and energetic features of the C-H⋅⋅⋅π interaction and the internal dynamics of the CHF3 group change drastically in going from benzene-CHF3 to indan-CHF3 , according to the analysis of the rotational spectrum of the latter complex generated in a supersonic expansion.

Primary care as a permanent setting for research.

AIMS AND BACKGROUND: The critical importance of a closer and structural involvement of primary care in research has been increasingly recognized over the last several years, and has been the object of extensive conceptual and institutional debates and proposals. There is, however, still a gap between the consistency of the recommendations and their translation into practice. METHODS: Based on the most recent literature on the integration of the paradigm of efficacy (evidence-based medicine) with the one on outcomes-effectiveness, as well as on the experience gained with large collaborative studies performed by Italian general practitioners (GPs), the paper discusses the reasons for giving priority to what could be done to bridge the gap and the conditions of feasibility. RESULTS AND CONCLUSIONS: Specifically, the results obtained most recently in a large-scale, epidemiological and experimental project with a prospective cohort of ∼12,500 subjects included by 860 GPs across the country in the field of cardiovascular risk prevention (the Rischio e Prevenzione Study) provide the concrete framework for an agenda of action proposed as a way forward, which appears to be highly critical for visibility and cultural autonomy of GPs also at the European level.

Towards evidence-based practice via practice-based evidence: the Italian experience.

BACKGROUND: Research is a fundamental tool for GPs' clinical practice. Independent research should be the answer to important questions on population needs not yet answered. To have a democratic approach, the results of the studies should be available not only to GPs but also to patients participating to the research. Research has also a formative value for investigators: a process of learning by doing. Risk and Prevention Study is a model of the 'Italian experience' in doing research in primary health care. OBJECTIVE: To describe the collaboration between Centro Studi e Richerche in Medicina Generale and Mario Negri Institute in producing observational and experimental research in the setting of family medicine such the Risk and Prevention Study. METHODS: Risk and Prevention Study has two main aims and two different methods: the first, to establish the effectiveness of an intensive recommended treatment and lifestyle advice in cardiovascular (CV) prevention is an observational design. The second, the efficacy of n-3 polyunsaturated fatty acid in patients with CV risk is a randomized controlled trial design. RESULTS: The Risk and Prevention trial has enrolled up until now 860 Italian GPs and over 12 500 high CV risk patients that will be followed during 5 years. They will visit their GP at least once a year. The first year of follow-up of the study has been completed. Relatively few patients (2.5%) have withdrawn. The treatment was well tolerated. CONCLUSIONS: Enrolment of large number of GPs in research appears feasible when an independent design with clear benefit for the patient's needs is offered.

Validation of the Italian version of the EUROPEP instrument for patient evaluation of general practice care.

OBJECTIVE: To describe the validity and reliability of the Italian version of the EUROPEP instrument for patient evaluation of general practice care. METHODS: A survey was performed among patients who visited a general practice (n=983), using the 23-item EUROPEP questionnaire. The scores are aggregated in two dimensions: "clinical behaviour" and "organization of care". The cultural adaptation of the questionnaire into Italian has been performed by using the formal translation procedures applied in other European countries. Data were analysed with respect to item response rate, item-scale correlation, internal consistency reliability and construct validity of the instrument. RESULTS: The item response rate was good for 17 items, acceptable for four items and problematic for one item. The item-scale correlation largely exceeded a value of 0.40 for all items in both scales. The internal consistency of the aggregated scores was also very good, the reliability coefficients being 0.95 for "clinical behaviour" and 0.90 for "organization of care". As expected, older age and better health status were associated with more positive evaluation of care. CONCLUSION: Our study confirms that, even in its Italian version, the EUROPEP is a valid and easy-to-use instrument for gathering information on patients' experience with and evaluation of general practice care.

R&P: the multiple meaning of a research project in general practice.

Rischio e Prevenzione (Risk and Prevention) is a research project that is becoming the paradigm of the Italian research on General Practice. It started from a survey showing that treatment and control of cardiovascular risk is still far from optimal even in very high-risk patients. A group of general practitioners, coordinated by Istituto Mario Negri, wrote the protocol of the study with various proposals: Creating a research network. Building research infrastructure with good research capacity. Building a 'therapeutic alliance' with the patient while presenting the research, not only obtaining their signature for a 'bureaucratic' informed consent. Having the 'Collaborative Group' as the 'sponsor' of a research even if the funds are coming from Pharmaceutical Industry. It is a randomised controlled trial (RCT) carried out in primary care with the normal patient of our daily work, so transferability is very possible. The way to enroll the patients and the request to specify the reason for not joining the project of the outcome study are a kind of participatory research. The outcome study can become a model for implementing new strategy on cardiovascular risk. A specific questionnaire will enquire the different point of view of the patient and of the general practitioner/researcher. The result of this project will help us understand the phenomenon of the poor compliance of the high-risk patients. First results during enrollment allow some optimism.