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When data availability is limited, the prediction of properties through purely data-driven machine learning (ML) is challenging. Integrating physically-based modeling techniques into ML methods may lead to better performance. In a recent work by Chew et al. (“ Advancing material property prediction: using physics-informed machine learning models for viscosity ”) descriptors from classical molecular dynamics (MD) simulations were included into a quantitative structure–property relationship to accurately predict temperature-dependent viscosity of pure liquids. Through feature importance analysis, the authors found that heat of vaporization was the most relevant descriptor for the prediction of viscosity. In this comment, we would like to discuss the physical origin of this finding by referring to Eyring’s rate theory, and develop an alternative modeling approach using a thermodynamic-based architecture that requires less input data.

The present work was aimed at investigating the effects of a four bacterial strain consortium—Azospirillum brasilense, Gluconacetobacter diazotrophicus, Herbaspirillum seropedicae, and Burkholderia ambifaria—on Allium cepa L. and on soil health. The bacterial consortium was inoculated on seeds of two different onion varieties; inoculated and Control seeds (treated with autoclaved inoculum) were sown in an open-field and followed until harvest. Plant growth development parameters, as well as soil physico–chemical and molecular profiles (DNA extraction and 16S community sequencing on the Mi-Seq Illumina platform), were investigated. The results showed a positive influence of bacterial application on plant growth, with increased plant height (+18%), total chlorophylls (+42%), crop yields (+13%), and bulb dry matter (+3%) with respect to the Control. The differences between Control and treatments were also underlined in the bulb extracts in terms of total phenolic contents (+25%) and antioxidant activities (+20%). Soil fertility and microbial community structure and diversity were also positively affected by the bacterial inoculum. At harvest, the soil with the presence of the bacterial consortium showed an increase in total organic carbon, organic matter, and available phosphorus, as well as higher concentrations of nutrients than the Control. The ecological indexes calculated from the molecular profiles showed that community diversity was positively affected by the bacterial treatment. The present work showed the effective use of plant growth-promoting bacteria as a valid fertilization strategy to improve yield in productive landscapes whilst safeguarding soil biodiversity.

Proton Exchange Membrane (PEM) water electrolysis (WE) produces H2 with a high degree of purity, requiring only water and energy. If the energy is provided from renewable energy sources, it releases “Green H2”, a CO2-free H2. PEMWE uses expensive and rare noble metal catalysts, which hinder their use at a large industrial scale. In this work, the electrocatalytic properties of Transition Metal Phosphides (TMP) catalysts supported on Carbon Black (CB) for Hydrogen Evolution Reaction (HER) were investigated as an alternative to Platinum Group Metals. The physico-chemical properties and catalytic performance of the synthesized catalysts were characterized. In the ex situ experiments, the 25% FeP/CB, 50% FeP/CB and 50% CoP/CB with overpotentials of −156.0, −165.9 and −158.5 mV for a current density of 100 mA cm−2 showed the best catalytic properties, thereby progressing to the PEMWE tests. In those tests, the 50% FeP/CB required an overpotential of 252 mV for a current density of 10 mA cm−2, quite close to the 220 mV of the Pt catalyst. This work provides a proper approach to the synthesis and characterization of TMP supported on carbon materials for the HER, paving the way for further research in order to replace the currently used PGM in PEMWE.

Brucella, the etiological agent of animal and human brucellosis, is a bacterium with the capacity to modulate the inflammatory response. Cyclic β-1,2-glucan (CβG) is a virulence factor key for the pathogenesis of Brucella as it is involved in the intracellular life cycle of the bacteria. Using comparative studies with different CβG mutants of Brucella, cgs (CβG synthase), cgt (CβG transporter) and cgm (CβG modifier), we have identified different roles for this polysaccharide in Brucella. While anionic CβG is required for bacterial growth in low osmolarity conditions, the sole requirement for a successful Brucella interaction with mammalian host is its transport to periplasmic space. Our results uncover a new role for CβG in promoting splenomegaly in mice. We showed that CβG-dependent spleen inflammation is the consequence of massive cell recruitment (monocytes, dendritics cells and neutrophils) due to the induction of pro-inflammatory cytokines such as IL-12 and TNF-α and also that the reduced splenomegaly response observed with the cgs mutant is not the consequence of changes in expression levels of the characterized Brucella PAMPs LPS, flagellin or OMP16/19. Complementation of cgs mutant with purified CβG increased significantly spleen inflammation response suggesting a direct role for this polysaccharide.

Plant growth-promoting bacteria (PGPB) afford plants several advantages (i.e., improvement of nutrient acquisition, growth, and development; induction of abiotic and biotic stress tolerance). Numerous PGPB strains have been isolated and studied over the years. However, only a few of them are available on the market, mainly due to the failed bacterial survival within the formulations and after application inside agroecosystems. PGPB strains with these challenging limitations can be used for the formulation of cell-free supernatants (CFSs), broth cultures processed through several mechanical and physical processes for cell removal. In the scientific literature there are diverse reviews and updates on PGPB in agriculture. However, no review deals with CFSs and the CFS metabolites obtainable by PGPB. The main objective of this review is to provide useful information for future research on CFSs as biostimulant and biocontrol agents in sustainable agriculture. Studies on CFS agricultural applications, both for biostimulant and biocontrol applications, have been reviewed, presenting limitations and advantages. Among the 109 articles selected and examined, the Bacillus genus seems to be the most promising due to the numerous articles that support its biostimulant and biocontrol potentialities. The present review underlines that research about this topic needs to be encouraged; evidence so far obtained has demonstrated that PGPB could be a valid source of secondary metabolites useful in sustainable agriculture.

BackgroundStroke has relevant morbidity and mortality despite appropriate treatments and early diagnosis. Beside common risk factors such as diabetes and atrial fibrillation, infections can be involved in stroke pathogenesis, probably causing a systemic release of cytokines and other inflammatory mediators, triggering a latent pro-thrombotic state or damaging the vascular endothelium. In other cases, infections can occur as stroke-like syndromes, requiring a high grade of suspicion to avoid a delay in establishing a correct diagnosis.ResultsTreatment of stroke or stroke-like syndromes of infectious origin can be difficult. When a previous infective event triggers stroke, Alteplase administration can be associated with a higher incidence of bleeding and the extension of the ischaemic area can be major than expected. On the other hand, when stroke is part of some infectious diseases’ presentation as in endocarditis, bacterial or tuberculous meningitis and meningo-vascular syphilis, a correct diagnosis can be difficult. The management of these stroke-like syndromes is not standardised because common treatments proven to be effective for patients with stroke of vascular origin can worsen the prognosis, as it can be demonstrated after to be incorrect Alteplase administration to patients with endocarditis with septic embolism to the brain is associated with an increase of the risk of haemorrhage.ConclusionsStroke or stroke-like syndrome of infectious origin can be observed in an important proportion of case presenting with sensory-motor deficit of unknown origin; their accurate diagnosis has a considerable impact in terms of treatment choices and outcome.

Abstract Brucellaceae are stealthy pathogens with the ability to survive and replicate in the host in the context of a strong immune response. This capacity relies on several virulence factors that are able to modulate the immune system and in their structural components that have low proinflammatory activities. Lipopolysaccharide (LPS), the main component of the outer membrane, is a central virulence factor of Brucella, and it has been well established that it induces a low inflammatory response. We describe here the identification and characterization of a novel periplasmic protein (RomA) conserved in alpha-proteobacteria, which is involved in the homeostasis of the outer membrane. A mutant in this gene showed several phenotypes, such as membrane defects, altered LPS composition, reduced adhesion, and increased virulence and inflammation. We show that RomA is involved in the synthesis of LPS, probably coordinating part of the biosynthetic complex in the periplasm. Its absence alters the normal synthesis of this macromolecule and affects the homeostasis of the outer membrane, resulting in a strain with a hyperinflammatory phenotype. Our results suggest that the proper synthesis of LPS is central to maximize virulence and minimize inflammation. RomA is a periplasmic small protein of Brucella abortus with no known function and conserved among alpha-proteobacteria. We demonstrate that RomA is involved in the biosynthesis of the lipopolysaccharide and necessary to counterbalance virulence and inflammation.

PULMONARY embolism is a potentially fatal disorder for which anticoagulation therapy improves the outcome. Untreated, clinically apparent pulmonary embolism has been associated with a 30 percent hospital mortality rate, whereas the mortality rate for treated patients has been reported to be in the range of 8 percent. 1 2 3 4 5 Reported rates of recurrence for correctly treated pulmonary embolism have ranged from 2 percent to 50 percent. 6 7 8 These data are derived from small trials, small series, or autopsy reports, most of which were collected over a decade ago. Interest in the natural history of pulmonary embolism has been rekindled by several recent developments. . . .

Brucella, the etiological agent of animal and human brucellosis, is a bacterium with the capacity to modulate the inflammatory response. Cyclic [beta]-1,2-glucan (C[beta]G) is a virulence factor key for the pathogenesis of Brucella as it is involved in the intracellular life cycle of the bacteria. Using comparative studies with different C[beta]G mutants of Brucella, cgs (C[beta]G synthase), cgt (C[beta]G transporter) and cgm (C[beta]G modifier), we have identified different roles for this polysaccharide in Brucella. While anionic C[beta]G is required for bacterial growth in low osmolarity conditions, the sole requirement for a successful Brucella interaction with mammalian host is its transport to periplasmic space. Our results uncover a new role for C[beta]G in promoting splenomegaly in mice. We showed that C[beta]G-dependent spleen inflammation is the consequence of massive cell recruitment (monocytes, dendritics cells and neutrophils) due to the induction of pro-inflammatory cytokines such as IL-12 and TNF-[alpha] and also that the reduced splenomegaly response observed with the cgs mutant is not the consequence of changes in expression levels of the characterized Brucella PAMPs LPS, flagellin or OMP16/19. Complementation of cgs mutant with purified C[beta]G increased significantly spleen inflammation response suggesting a direct role for this polysaccharide.