CleAir monitoring system for particulate matter. A case in the Napoleonic Museum in Rome

Monitoring the air particulate concentration both outdoors and indoors is becoming a more relevant issue in the past few decades. An innovative, fully automatic, monitoring system called CleAir is presented. Such a system wants to go beyond the traditional technique (gravimetric analysis), allowing for a double monitoring approach: the traditional gravimetric analysis as well as the optical spectroscopic analysis of the scattering on the same filters in steady-state conditions. The experimental data are interpreted in terms of light percolation through highly scattering matter by means of the stretched exponential evolution. CleAir has been applied to investigate the daily distribution of particulate matter within the Napoleonic Museum in Rome as a test case

Direct measurement of DNA-mediated adhesion between lipid bilayers

Multivalent interactions between deformable mesoscopic units are ubiquitous in biology, where membrane macromolecules mediate the interactions between neighbouring living cells and between cells and solid substrates. Lately, analogous artificial materials have been synthesised by functionalising the outer surface of compliant Brownian units, for example emulsion droplets and lipid vesicles, with selective linkers, in particular short DNA sequences. This development extended the range of applicability of DNA as a selective glue, originally applied to solid nano and colloidal particles. On very deformable lipid vesicles, the coupling between statistical effects of multivalent interactions and mechanical deformation of the membranes gives rise to complex emergent behaviours, as we recently contributed to demonstrate [Parolini et al., Nature Communications, 2015, 6, 5948]. Several aspects of the complex phenomenology observed in these systems still lack a quantitative experimental characterisation and fundamental understanding. Here we focus on the DNA-mediated multivalent interactions of a single liposome adhering to a flat supported bilayer. This simplified geometry enables the estimate of the membrane tension induced by the DNA-mediated adhesive forces acting on the liposome. Our experimental investigation is completed by morphological measurements and the characterisation of the DNA-melting transition, probed by in-situ F\"{o}rster Resonant Energy Transfer spectroscopy. Experimental results are compared with the predictions of an analytical theory that couples the deformation of the vesicle to a full description of the statistical mechanics of mobile linkers. With at most one fitting parameter, our theory is capable of semi-quantitatively matching experimental data, confirming the quality of the underlying assumptions.Comment: 16 pages, 7 figure

Start-up with or without inoculum? Analysis of an SMBR pilot plant.

This study analysed a submerged membrane bioreactor (SMBR) start-up with the purpose of determining the best conditions to carry it out. In order to do this, a hollow fibre membrane module was installed in a submerged configuration in a pilot aerobic reactor. The experiment was then divided in two phases, lasting 65 days each. During phase 1, the pilot plant was started-up without inoculum of activated sludge and no sludge, withdrawal was performed. Conversely, in phase 2, the MBR pilot plant was started-up with sludge inoculum and the sludge concentration was kept constant. In both phases, the volumetric loading rate applied to the pilot plant was kept constant. The authors analysed the difference in carbon removal performances, the evolution of floc sizes and the fouling rate in both phases. The results confirmed that MBRs can be quickly and easily started-up, but the initial start-up strategy can influence membrane fouling. More specifically, the carbon removal performances were similar in both phases, while the fouling rate increased faster during the start-up without inoculum, especially in terms of irreversible deposition of soluble compost on the membrane surface and into membrane pores.This study analysed a submerged membrane bioreactor (SMBR) start-up with the purpose of determining the best conditions to carry it out. In order to do this, a hollow fibre membrane module was installed in a submerged configuration in a pilot aerobic reactor. The experiment was then divided in two phases, lasting 65 days each. During phase 1, the pilot plant was started-up without inoculum of activated sludge and no sludge, withdrawal was performed. Conversely, in phase 2, the MBR pilot plant was started-up with sludge inoculum and the sludge concentration was kept constant. In both phases, the volumetric loading rate applied to the pilot plant was kept constant. The authors analysed the difference in carbon removal performances, the evolution of floc sizes and the fouling rate in both phases. The results confirmed that MBRs can be quickly and easily started-up, but the initial start-up strategy can influence membrane fouling. More specifically, the carbon removal performances were similar in both phases, while the fouling rate increased faster during the start-up without inoculum, especially in terms of irreversible deposition of soluble compost on the membrane surface and into membrane pores

Divide-and-Conquer Semiclassical Dynamics: A Viable Method for Vibrational Spectra Calculations of High Dimensional and Anharmonic Molecular Systems

The prediction of accurate vibrational frequencies is often necessary for the interpretation of experimental outcomes, especially when sources of strong anharmonic effects such as hydrogen bonding are present. Unfortunately, the most relevant stumbling block to fill in the gap between theory and experiment is usually represented by dimensionality problems, when quantum mechanical effects like Zero Point Energy, quantum anharmonicities, and overtones cannot be neglected. In this circumstance quantum applications are generally limited to small and medium sized molecules. One possible alternative is represented by Semiclassical theory, which allows to recover accurate spectral densities by taking advantage of quantities arising from classical mechanics simulations. [1-5] In particular, here we present a method, called Semiclassical \u201cDivide-and-Conquer\u201d, able to reproduce spectra of high-dimensional molecular systems accurately. [6,7] The method is first validated by performing spectra of small and medium sized molecules, and then it is used to calculate the spectra of benzene and a C 60 model, which is made of 174 degrees of freedom. Then, we show results of variously sized-water clusters characterized by strong hydrogen-bonding that red shifts the involved OH stretches. [8] Finally, the method is combined with ab-initio molecular dynamics to abandon the necessity to employ pre-fitted Potential Energy Surfaces, and applied to study supramolecular systems like the protonated glycine dimer and hydrogen-tagged protonated glycine. [9] [1] W. H. Miller, J. Chem. Phys. 1970, 53, 3578; [2] E. J. Heller, J. Chem. Phys. 1981, 75, 2923; M. F. Herman and E. Kluk, Chem. Phys. 1984, 91, 27. [3] K. G. Kay, J. Chem. Phys. 1994, 101, 2250; W. H. Miller, J. Phys. Chem. A 2001, 105, 2942. [4] A. L. Kaledin and W. H. Miller, J. Chem. Phys. 2003, 118, 7174. [5] R. Conte, A. Aspuru-Guzik, and M. Ceotto, J. Phys. Chem. Lett. 2013, 4, 3407. [6] M. Ceotto, G. Di Liberto, and R. Conte, Phys. Rev. Lett. 2017, 119, 010401. [7] G. Di Liberto, R. Conte, and M. Ceotto, J. Chem. Phys. 2018, 148, 014307. [8] G. Di Liberto, R. Conte, and M. Ceotto, J. Chem. Phys. 2018, 148, 104302. [9] F. Gabas, G. Di Liberto, R. Conte, and M. Ceotto In preparation

Divide-and-Conquer Semiclassical Dynamics: A Viable Route for Spectroscopic Calculations of High Dimensional Molecular Systems

The accurate prediction of vibrational spectra has become a very challenging task for theoretical methods. The most relevant stumbling block is represented by the necessity to employ quantum methods, since very often quantum effects, like zero point energy, quantum anharmonicities, and overtones, are not negligible to gain insights into the physics of a molecular system. Unfortunately, quantum mechanical methods are usually affected by the so-called curse of dimensionality problem, which limits their applicability to small and medium sized molecules. A viable alternative is represented by the Semiclassical theory, which is obtained by stationary-phase approximating to the second order of the Feynman Path-Integral representation of the Quantum time evolution operator, and allows to calculate spectral densities. In particular, the Coherent State Representation was shown to be very valid in molecular applications. However, even in this case the curse of dimensionality occurs and the method runs out of steam when the system dimensionality increases to 25-30 degrees of freedom or more. Here, we present a method, called Divide-and-Conquer, able to overcome this issue, and to reproduce spectra of high-dimensional molecular systems, while retaining the typical semiclassical accuracy (20-30 cm-1). The method is tested on simple molecules. Then, it is used to calculate spectra of a C60 model, which is made by 174 degrees of freedom, and of variously sized-water clusters characterized by strong hydrogen-bonding that red shifts the involved OH stretches. Finally, the method is also combined with ab-initio molecular dynamics to abandon the necessity to employ pre-fitted Potential Energy Surfaces, and applied to study supramolecular systems as the protonated glycine dimer and hydrogen-tagged protonated glycine

The chimeric ALT-vastus lateralis free flap in reconstruction of advanced BRONJ of the maxilla.

Introduction Bisphosphonate-related osteonecrosis of the jaw (BRONJ) is a dangerous complication of bisphosphonates, a class of pharmaceutical agents used in numerous bone disor- ders. No gold standard therapy exists, but recent literature suggests that, in advanced stages, the best results are achieved with aggressive debridement. In this paper, we report our experience of treatment of stage 3 BRONJ of the maxilla with extensive surgical debridement and reconstruction with a chimeric ALT-Vastus lateralis flap. Methods Five selected patients with stage 3 BRONJ underwent partial maxillectomy with dis- ease-free margins followed by immediate reconstruction with a chimeric ALT-Vastus lateralis free flap. Results Only two patients experienced minor complications. All other patients healed unevent- fully within two weeks and donor site morbidity was minimal. Conclusions Our data suggest that aggressive debridement and reconstruction with a chimeric ALT -Vastus lateralis flap is an effective option for the treatment of stage III BRONJ of the maxilla

Effect of biomass features on oxygen transfer in conventional activated sludge and membrane bioreactor systems

The aim of the present study was to compare the oxygen transfer efficiency in a conventional activated sludge and a membrane bioreactor system. The oxygen transfer was evaluated by means of the oxygen transfer coefficient (kLa)20 and α-factor calculation, under different total suspended solids concentration, extracellular polymeric substances, sludge apparent viscosity and size of the flocs. The (kLa)20 and α-factor showed an exponential decreasing trend with total suspended solid, with a stronger (kLa)20 dependence in the conventional activated sludge than the membrane bioreactor. It was noted that the (kLa)20 in the conventional activated sludge become comparable to that in membrane bioreactor when the TSS concentration in the conventional activated sludge was higher than 5 gTSS L-1. Operating under high carbon to nitrogen ratio, the (kLa)20 increased in both conventional activated sludge and membrane bioreactor because of the sludge deflocculation and a weaker dependence of (kLa)20 with total suspended solid was noted. The results indicated that the most important parameters on the oxygen transfer efficiency were in order: the total suspended solid concentration, flocs size, sludge apparent viscosity, the protein to polysaccharides ratio and extracellular polymeric substances content. Based on the influence of the main biomass features affecting the (kLa)20 and considering the typical operating conditions in both systems, those of membrane bioreactor appeared to be more favorable to oxygen transfer efficiency compared to conventional activated sludge process

Evaluation of radiative transfer schemes for mesoscale model data assimilation: a case study

International audienceThe assimilation of Special Sensor Microwave Imager (SSM/I) data into the Mesoscale Model 5 (MM5) allows for improving the weather forecast. However the results suggested an update the Radiative Transfer Equation (RTE) within the three-dimensional variational (3DVAR) algorithm which is tailored for non rainy conditions only. To this purpose, a new RTE algorithm is tested, in order to account for radiometric response in rainy regions. The new brightness temperatures (TB) are estimated by using hydrometeor profiles from the MM5 mesoscale model, running with two different microphysical parameterizations. The goodness of the results is assessed by comparing the new TB with those of the original RTE algorithm in the 3DVAR code and the SSM/I observed data. The results confirm a better reliability of the new RTE compared to the old one

Evaluation of radiative transfer schemes for mesoscale model data assimilation: a case study

The assimilation of Special Sensor Microwave Imager (SSM/I) data into the Mesoscale Model 5 (MM5) allows for improving the weather forecast. However the results suggested an update the Radiative Transfer Equation (RTE) within the three-dimensional variational (3DVAR) algorithm which is tailored for non rainy conditions only. To this purpose, a new RTE algorithm is tested, in order to account for radiometric response in rainy regions. The new brightness temperatures (<i>T_B</i>) are estimated by using hydrometeor profiles from the MM5 mesoscale model, running with two different microphysical parameterizations. The goodness of the results is assessed by comparing the new <i>T_B</i> with those of the original RTE algorithm in the 3DVAR code and the SSM/I observed data. The results confirm a better reliability of the new RTE compared to the old one

Flame pyrolysis synthesis of mixed oxides for glycerol steam reforming

Flame spray pyrolysis was used to produce nanosized Ni-based catalysts starting from different mixed oxides. LaNiO3 and CeNiO3 were used as base materials and the formulation was varied by mixing them or incorporating variable amounts of ZrO2 or SrO during the synthesis. The catalysts were tested for the steam reforming of glycerol. One of the key problems for this application is the resistance to deactivation by sintering and coking, which may be increased by (1) improving Ni dispersion through the production of a Ni-La or Ni-Ce mixed oxide precursor, and then reduced; (2) using an oxide as ZrO2, which established a strong interaction with Ni and possesses high thermal resistance; (3) decreasing the surface acidity of ZrO2 through a basic promoter/support, such as La2O3; and (4) adding a promoter/support with very high oxygen mobility such as CeO2. A further key feature is the use of a high temperature synthesis, such as flame spray pyrolysis, to improve the overall thermal resistance of the oxides. These strategies proved effective to obtain active and stable catalysts at least for 20 h on stream with very limited coke formation