Comparative study of Rare Gas-H2_2 triatomic complexes

This paper presents a comparative analysis of complexes made of one Rare Gas (Rg) atom and molecular hydrogen, for all five stable Rg atoms. In particular, the vibrational band origins have been calculated, as well as the structural properties of the associated wavefunctions. The study is extended to cold Rg-H$_2$ scattering. The molecular systems are studied variationally using a very simple, yet effective, trial wavefunction. A large number of Potential Energy Surfaces available from the literature is considered. A comparative analysis shows that differences of up to two orders of magnitude exist for the zero energy elastic cross sections of the five complexes. Corrections to the model have also been considered, showing no significant effect.Comment: 22 pages, 3 figures, 4 tables, submitted for publicatio

Analyzing the Risks Embedded in Option Prices with rndfittool

This paper introduces a new computational tool for the analysis of the risks embedded in a set of prices of European-style options. The software enables the estimation of the risk-neutral density (RND) from the observed option prices by means of orthogonal polynomial expansions. Orthogonal polynomials offer a viable alternative to more standard techniques based on interpolation and estimation of the second-order derivatives of option prices. The app rndfittool is available on GitHub and its usage is illustrated with examples based on real data

Low-frequency noise measurements in silicon power MOSFETs as a tool to experimentally investigate the defectiveness of the gate oxide

Peer Reviewe

Variational Description of the Helium Trimer Using Correlated Hyperspherical Harmonic Basis Functions

A variational wave function constructed with correlated hyperspherical harmonic functions is used to describe the Helium trimer. This system is known to have a deep bound state. In addition, different potential models predict the existence of a shallow excited state that has been identified as an Efimov state. Using the Rayleigh-Ritz variational principle, the energies and wave functions of both bound states have been obtained by solving a generalized eigenvalue problem. The introduction of a suitable correlation factor reduces considerably the dimension of the basis needed to accurately describe the structure of the system. The most recent helium-helium interactions have been investigated

An rf-linac, FEL buncher

Abstract We describe a means of producing a train of 40 kA pulses of 3 ps duration as the drive beam for CLIC using an rf linac driven free electron laser (FEL) buncher. Potential debunching effects are discussed. Finally we describe a low energy test experiment

The role of apoptosis in the pathogenesis of dermatitis herpetiformis.

Apoptosis is a form of cell death that is claimed to be involved in a number of chronic inflammatory and malignant skin diseases. The aim of this study was to investigate whether apoptosis may contribute to the pathogenesis of epidermal changes in dermatitis herpetiformis (DH) and, in particular, whether certain apoptosis-related markers such as Bax, Bcl-2, Fas and Fas ligand (FasL) take part in this process. For the detection of apoptotic nuclei, terminal deoxynucleotidyl transferase-mediated deoxyuridine triphosphate nick end labelling technique (TUNEL) was employed on cryostat sections. Skin lesions from six and perilesional skin from four DH patients were stained with monoclonal antibodies to Bax, Bcl-2, Fas and FasL. The same evaluation was also performed on three patients affected by bullous pemphigoid (BP) and in two healthy donors. Using TUNEL technique, a remarkable increase in the apoptotic rate within the epidermal compartment was observed in DH and BP patients in comparison with normal controls. In our immunohistochemical analysis, Bax/Bcl-2 ratio was almost the same in the epidermis of perilesional/lesional DH, BP and healthy skin specimens. In DH and BP specimens both Bax and Bcl-2 proteins were increased in the dermal perivascular compartment. Fas showed a prevalently epidermal staining, both in DH and BP lesions, while FasL was distributed in perivascular and subjunctional dermis; some FasL+ cells infiltrated the DEJ and the basal layer of epidermis. This study allowed us to highlight conspicuous apoptotic phenomena in basal and suprabasal keratinocytes within lesional and perilesional skin of DH. We conclude that in DH, as well as in BP, apoptosis plays a role in the pathogenesis of cutaneous lesions in concert with other pathogenetic mechanisms

The use of electronic PROMs provides same outcomes as paper version in a spine surgery registry. Results from a prospective cohort study

Abstract Background and Purpose Patient-Reported Measured Outcomes (PROMs) are essential to gain a full understanding of a patient's condition, and in spine surgery, these questionnaires are of help when tailoring a surgical strategy. Electronic registries allow for a systematic collection and storage of PROMs, making them readily available for clinical and research purposes. This study aimed to investigate the reliability between the electronic and paper form of ODI (Oswestry Disability Index), SF-36 (Short Form Health Survey 36) and COMI-back (Core Outcome Measures Index for the back) questionnaires. Methods A prospective analysis was performed of ODI, SF-36 and COMI-back questionnaires collected in paper and electronic format in two patients' groups: Pre-Operatively (PO) or at follow-up (FU). All patients, in both groups, completed the three questionnaires in paper and electronic form. The correlation between both methods was assessed with the Intraclass Correlation Coefficients (ICC). Results The data from 100 non-consecutive, volunteer patients with a mean age of 55.6 ± 15.0 years were analysed. For all of the three PROMs, the reliability between paper and electronic questionnaires results was excellent (ICC: ODI = 0.96; COMI = 0.98; SF36-MCS = 0.98; SF36-PCS = 0.98. For all p < 0.001). Conclusions This study proved an excellent reliability between the electronic and paper versions of ODI, SF-36 and COMI-back questionnaires collected using a spine registry. This validation paves the way for stronger widespread use of electronic PROMs. They offer numerous advantages in terms of accessibility, storage, and data analysis compared to paper questionnaires

Spectroscopically determined potential energy surface of H216O up to 25 000 cm −1

A potential energy surface for the major isotopomer of water is constructed by fitting to observed vibration–rotation energy levels of the system using the exact kinetic energy operator nuclear motion program DVR3D. The starting point for the fit is the ab initio Born–Oppenheimer surface of Partridge and Schwenke [J. Chem. Phys. 106, 4618 (1997)] and corrections to it: both one- and two-electron relativistic effects, a correction to the height of the barrier to linearity, allowance for the Lamb shift and the inclusion of both adiabatic and nonadiabatic non-Born–Oppenheimer corrections. Fits are made by scaling the starting potential by a morphing function, the parameters of which are optimized. Two fitted potentials are presented which only differ significantly in their treatment of rotational nonadiabatic effects. Energy levels up to 25 468 cm–1 with J = 0, 2, and 5 are fitted with only 20 parameters. The resulting potentials predict experimentally known levels with J≤10 with a standard deviation of 0.1 cm–1, and are only slightly worse for J = 20, for which rotational nonadiabatic effects are significant. The fits showed that around 100 known energy levels are probably the result of misassignments. Analysis of misassigned levels above 20 000 cm–1 leads to the reassignment of 23 transitions

Correlation between B7-H4 and Survival of Non-Small-Cell Lung Cancer Patients Treated with Nivolumab

Reliable predictors of benefit from immune checkpoint inhibitors in non-small-cell lung cancer (NSCLC) are still limited. We aimed to evaluate the association between the expression of selected molecules involved in immune response and clinical outcomes in NSCLC patients receiving nivolumab. In our study, the outcomes of 46 NSCLC patients treated with nivolumab in second or subsequent lines (Nivolumab Cohort) were compared with the expression of PD-L1, PD-L2, PD-1, B7-H3, and B7-H4 assessed by immunohistochemistry (IHC). Samples from 17 patients (37.0%) in the Nivolumab Cohort were positive for B7-H4 expression. At univariate analyses, only B7-H4 expression was associated with significantly decreased progression-free survival (PFS; 1.7 vs. 2.0 months; p = 0.026) and with a disadvantage in terms of overall survival (OS) close to statistical significance (4.4 vs. 9.8 months; p = 0.064). At multivariate analyses, B7-H4 expression was significantly associated with decreased PFS (hazard ratio (HR) = 2.28; p = 0.021) and OS (HR = 2.38; p = 0.022). Subsequently, B7-H4 expression was compared with clinical outcomes of 27 NSCLC patients receiving platinum-based chemotherapy (Chemotherapy Cohort), but no significant association was observed. Our results suggest a negative predictive role of B7-H4 in a population of NSCLC treated with immune checkpoint inhibitors, which deserves further research

Development of the Prevent for Work Questionnaire (P4Wq) for the assessment of musculoskeletal risk factors in the workplace:part 2-pilot study for questionnaire development and validation

Objective The aim of this study was to develop a multifactorial, self-report questionnaire: Prevent for Work Questionnaire (P4Wq). The questionnaire is intended for screening for risk factors in work-related musculoskeletal disorders (WMSDs). Design Data were collected from otherwise healthy workers employed in three service areas at a specialist hospital in Italy: healthcare, administration and ancillary services. Setting and participants In all, 115 participants were enrolled (67% women; average age 41.5 +/- 9.94 years). The content of the tool for WMSDs was derived from three participation rounds of analysis involving a select group of experts who identified the questionnaire domains and items. Participants responded to 89 items in addition to the EuroQol 5 Dimensions Questionnaire (EQ-5D-5L), Fear-Avoidance Beliefs Questionnaire (FABq) and Oswestry Disability Index (ODI). The proportion of missing data and the distribution of responses were analysed for each item. Items with a discrimination index >0.40 and an interitem correlation 0.7. The questionnaire consisted of 20 items with good internal consistency (Cronbach''s alpha 0.81-0.91), reliability (weighted kappa coefficient 0.617-1.00), good construct validity (EQ-5D-5L, r=-0.549, p<0.001; ODI, r=0.549, p<0.001; FABq work, r=0.688, p<0.001) and satisfactory face validity (universal validity index 96.04%). Conclusion The P4Wq is a 20-item, multifactorial self-report risk assessment questionnaire. It may provide a useful tool for screening for WMSDs by specifically addressing back disorders. It investigates risks for individual workers and may inform educational programmes and preventive strategies tailored to a worker''s needs