Disordered Rock-Salt Type Li2TiS3 as Novel Cathode for LIBs: A Computational Point of View

The development of high-energy cathode materials for lithium-ion batteries with low content of critical raw materials, such as cobalt and nickel, plays a key role in the progress of lithium-ion batteries technology. In recent works, a novel and promising family of lithium-rich sulfides has received attention. Among the possible structures and arrangement, cubic disordered Li(2)TiS(3) has shown interesting properties, also for the formulation of new cell for all-solid-state batteries. In this work, a computational approach based on DFT hybrid Hamiltonian, localized basis functions and the use of the periodic CRYSTAL code, has been set up. The main goal of the present study is to determine accurate structural, electronic, and spectroscopic properties for this class of materials. Li(2)TiS(3) precursors as Li(2)S, TiS(2), and TiS(3) alongside other formulations and structures such as LiTiS(2) and monoclinic Li(2)TiS(3) have been selected as benchmark systems and used to build up a consistent and robust predictive scheme. Raman spectra, XRD patterns, electronic band structures, and density of states have been simulated and compared to available literature data. Disordered rock-salt type Li(2)TiS(3) structures have been derived via a solid solution method as implemented into the CRYSTAL code. Representative structures were extensively characterized through the calculations of their electronic and vibrational properties. Furthermore, the correlation between structure and Raman fingerprint was established

Low Absolute Lymphocyte Counts in the Peripheral Blood Predict Inferior Survival and Improve the International Prognostic Index in Testicular Diffuse Large B-Cell Lymphoma

Low absolute lymphocyte counts (ALC) and high absolute monocyte counts (AMC) are associated with poor survival in patients with diffuse large B-cell lymphoma (DLBCL). We studied the prognostic impact of the ALC and AMC in patients with testicular DLBCL (T-DLBCL). T-DLBCL patients were searched using Southern Finland University Hospital databases and the Danish lymphoma registry. The progression free survival (PFS) and overall survival (OS) were assessed using Kaplan-Meier and Cox proportional hazards methods. We identified 178 T-DLBCL patients, of whom 78 (44%) had a low ALC at diagnosis. The ALC did not correlate with survival in the whole cohort. However, among the patients treated with rituximab (R) containing regimen, a pre-therapeutic low ALC was associated with an increased risk of progression (HR 1.976, 95% CI 1.267–3.086, p = 0.003). Conversely, intravenous (iv) CNS directed chemotherapy translated to favorable outcome. In multivariate analyses, the advantage of an iv CNS directed chemotherapy was sustained (PFS, HR 0.364, 95% CI 0.175–0.757, p = 0.007). The benefit of R and intravenous CNS directed chemotherapy was observed only in non-lymphopenic patients. The AMC did not correlate with survival. A low ALC is an adverse prognostic factor in patients with T-DLBCL. Alternative treatment options for lymphopenic patients are needed

Low Absolute Lymphocyte Counts in the Peripheral Blood Predict Inferior Survival and Improve the International Prognostic Index in Testicular Diffuse Large B-Cell Lymphoma

Low absolute lymphocyte counts (ALC) and high absolute monocyte counts (AMC) are associated with poor survival in patients with diffuse large B-cell lymphoma (DLBCL). We studied the prognostic impact of the ALC and AMC in patients with testicular DLBCL (T-DLBCL). T-DLBCL patients were searched using Southern Finland University Hospital databases and the Danish lymphoma registry. The progression free survival (PFS) and overall survival (OS) were assessed using Kaplan-Meier and Cox proportional hazards methods. We identified 178 T-DLBCL patients, of whom 78 (44%) had a low ALC at diagnosis. The ALC did not correlate with survival in the whole cohort. However, among the patients treated with rituximab (R) containing regimen, a pre-therapeutic low ALC was associated with an increased risk of progression (HR 1.976, 95% CI 1.267–3.086, p = 0.003). Conversely, intravenous (iv) CNS directed chemotherapy translated to favorable outcome. In multivariate analyses, the advantage of an iv CNS directed chemotherapy was sustained (PFS, HR 0.364, 95% CI 0.175–0.757, p = 0.007). The benefit of R and intravenous CNS directed chemotherapy was observed only in non-lymphopenic patients. The AMC did not correlate with survival. A low ALC is an adverse prognostic factor in patients with T-DLBCL. Alternative treatment options for lymphopenic patients are needed

Nitrogen substitutional defects in silicon. A quantum mechanical investigation of the structural, electronic and vibrational properties

RD and FSG acknowledges the CINECA award (HP10CTG8YY) under the ISCRA initiative, for the availability of high performance computing resources and support.The vibrational infrared (IR) and Raman spectra of seven substitutional defects in bulk silicon are computed, by using the quantum mechanical CRYSTAL code, the supercell scheme, an all electron Gaussian type basis set and the B3LYP functional. The relative stability of various spin states has been evaluated, the geometry optimized, the electronic structure analyzed. The IR and Raman intensities have been evaluated analitically. In all cases the IR spectrum is dominated by a single N peak (or by two or three peaks with very close wavenumbers), whose intensity is at least 20 times larger than the one of any other peak. These peaks fall in the 645–712 cm−1 interval, and a shift of few cm−1 is observed from case to case. The Raman spectrum of all defects is dominated by an extremely intense peak at about 530 cm−1, resulting from the (weak) perturbation of the peak of pristine silicon.ISCRA initiative CINECA award (HP10CTG8YY); Institute of Solid State Physics, University of Latvia as the Center of Excellence has received funding from the European Union’s Horizon 2020 Framework Programme H2020-WIDESPREAD-01-2016-2017-TeamingPhase2 under grant agreement No. 739508, project CAMART

Aleutian Mink Disease Virus and Humans

Reports of a possible relationship between Aleutian mink disease parvovirus (AMDV) and human infection are rare. However, 2 mink farmers with vascular disease and microangiopathy similar to that in mink with Aleutian disease were found to have AMDV-specific antibodies and AMDV DNA. These findings raise the suspicion that AMDV may play a role in human disease

Performance comparison of microwave cavities used for extraction operations

In the agri-food industry world, billions of tons of waste are produced every year. This represents both a direct loss (due to the failure to exploit their potential value, and their nutritional and energy content) and indirect loss, due to their necessary treatment and/or disposal. Some substances contained in the wastes, of potential high value, can be recovered by means of extraction. Conventional extraction processes involve the use of solvents, which end up requiring an additional process of separation from the solute identified as the desired product. In recent years, extraction techniques have been proposed without the use of solvents. This work compares the performance of two microwave cavities used for extraction operations, both working at 2.45 GHz. A calorimetric analysis performed by following the heating rate and temperature evolution in rack of 25 beakers filled with 25 mL of water, coupled with the solution of the heat transfer balance in the system, allowed to build the spatial distribution of the electromagnetic power dissipated as heat in each of the beakers. Fluid-dynamics aspects related to the recovery of the vapour phase produced during the extraction were also analyzed, with particular emphasis on the mean residence time of the vapour fraction in the extraction chamber as a function of its configuration

Green shipping-multifunctional marine scrubbers for emission control : silencing effect

Scrubber systems abate the sulphur oxide emissions of engines when cheap fuel oils that are high in sulphur content are employed as combustibles. However, the ships with these voluminous devices installed on board is space demanding. This work analyses the feasibility of incorporating the acoustic abatement of the exhaust gas noise functionality into the scrubber design to provide a combined scrubber–silencer system. For this purpose, a finite element analysis is performed on a simple expansion chamber, which is assessed using both analytical and experimental data. The transmission loss is the acoustic parameter chosen in this work. The numerical model depicts a good correlation with the transmission loss measured on a model scale scrubber. Finally, scrubber geometry modifications alter the transmission loss, changing and/or enhancing its featuring. These abilities indicate the feasibility to confer to scrubber silencing effects

Numerical study on the influence of porous baffle interface and mesh typology on the silencer flow analysis

The study of the internal component geometries (i.e. perforated elements) is relevant for the acoustic performance optimisation of a silencer. During the design phase, the evaluation of the properties of a silencer is performed by numerical analysis. In the literature, there is a lack of general guidelines and comparisons among different modelling strategies. So, in this study, the influence of grid type (i.e. trimmed vs tetrahedral) on the numerical prediction of the flow inside a reactive silencer is analysed. Moreover, using a porous baffle interface to model the perforated pipe is investigated, searching for a faster and easier way to model perforated elements. The simulations are carried out with the commercial CFD software STAR-CCM+. The comparison of the obtained axial velocity with a literature case study assesses the numerical model reliability. The analysis highlights that velocity and pressure predicted with both the mesh typologies does not significantly differ, but the trimmed mesh allows to save cells number, reducing the computational cost. Instead, obtain a reliable flow description using the porous baffle interface is strictly correlated to the settings of the resistance coefficient. This assumption does not provide accurate results for the analysed perforated pipe. On the other hand, using a simplified model allows to easily perform a comparison between different muffler geometries, as the holes have not to be drowned and meshed after each modification

Soluble PD-1 but Not PD-L1 Levels Predict Poor Outcome in Patients with High-Risk Diffuse Large B-Cell Lymphoma

Interaction of checkpoint receptor programmed death 1 (PD-1) with its ligand 1 (PD-L1) downregulates T cell effector functions and thereby leads to tumor immune escape. Here, we aimed to determine the clinical significance of soluble PD-1 (sPD-1) and soluble PD-L1 (sPD-L1) in patients with diffuse large B-cell lymphoma (DLBCL). We included 121 high-risk DLBCL patients treated in the Nordic NLG-LBC-05 trial with dose-dense immunochemotherapy. sPD-1 and sPD-L1 levels were measured from serum samples collected prior to treatment, after three immunochemotherapy courses, and at the end of therapy. sPD-1 and sPD-L1 levels were the highest in pretreatment samples, declining after three courses, and remaining low post-treatment. Pretreatment sPD-1 levels correlated with the quantities of PD1+ T cells in tumor tissue and translated to inferior survival, while no correlation was observed between sPD-L1 levels and outcome. The relative risk of death was 2.9-fold (95% CI 1.12–7.75, p = 0.028) and the risk of progression was 2.8-fold (95% CI 1.16–6.56, p = 0.021) in patients with high pretreatment sPD-1 levels compared to those with low levels. In conclusion, pretreatment sPD-1 level is a predictor of poor outcome after dose-dense immunochemotherapy and may be helpful in further improving molecular risk profiles in DLBCL

Soluble PD-1 but Not PD-L1 Levels Predict Poor Outcome in Patients with High-Risk Diffuse Large B-Cell Lymphoma

Interaction of checkpoint receptor programmed death 1 (PD-1) with its ligand 1 (PD-L1) downregulates T cell effector functions and thereby leads to tumor immune escape. Here, we aimed to determine the clinical significance of soluble PD-1 (sPD-1) and soluble PD-L1 (sPD-L1) in patients with diffuse large B-cell lymphoma (DLBCL). We included 121 high-risk DLBCL patients treated in the Nordic NLG-LBC-05 trial with dose-dense immunochemotherapy. sPD-1 and sPD-L1 levels were measured from serum samples collected prior to treatment, after three immunochemotherapy courses, and at the end of therapy. sPD-1 and sPD-L1 levels were the highest in pretreatment samples, declining after three courses, and remaining low post-treatment. Pretreatment sPD-1 levels correlated with the quantities of PD1+ T cells in tumor tissue and translated to inferior survival, while no correlation was observed between sPD-L1 levels and outcome. The relative risk of death was 2.9-fold (95% CI 1.12–7.75, p = 0.028) and the risk of progression was 2.8-fold (95% CI 1.16–6.56, p = 0.021) in patients with high pretreatment sPD-1 levels compared to those with low levels. In conclusion, pretreatment sPD-1 level is a predictor of poor outcome after dose-dense immunochemotherapy and may be helpful in further improving molecular risk profiles in DLBCL