Quantum information reveals that orbital-wise correlation is essentially classical in natural orbitals.

The intersection of quantum chemistry and quantum computing has led to significant advancements in understanding the potential of using quantum devices for the efficient calculation of molecular energies. Simultaneously, this intersection enhances the comprehension of quantum chemical properties through the use of quantum computing and quantum information tools. This paper tackles a key question in this relationship: Is the nature of the orbital-wise electron correlations in wavefunctions of realistic prototypical cases classical or quantum? We address this question with a detailed investigation of molecular wavefunctions in terms of Shannon and von Neumann entropies, common tools of classical and quantum information theory.

Nickel-based cocatalysts on Titanium-doped Hematite empower direct photoelectrochemical valorisation of 5-Hydroxymethylfurfural.

The photoelectrochemical oxidation of 5-hydroxymethylfurfural (HMF), a biomass-derived intermediate, to 2,5-furandicarboxylic acid (FDCA), a key building block for industrial applications, is a well-studied anodic reaction. This photoelectrochemical (PEC) conversion typically requires an electron mediator, such as TEMPO, regardless of the semiconductor used. Various electrocatalysts can also perform this reaction electrochemically, without additional organic species in the electrolyte.

The Da Vinci Robot, a Promising Yet Underused Minimally Invasive Tool for Spine Surgery: a Scoping Review of its Current Role and Limits.

Background: The Da Vinci robot ® (DVR), released in the early 2000s, provided a set of innovation aiming at pushing minimally invasive surgery forward. Its stereoscopic magnified visualization camera, motions that exceed the natural range of the human hand, or tremor reduction enhanced the surgeon's skills and added value in many surgical fields.

Objective: To map the current use of the DVR in spine surgery, identify gaps, address its limits and future perspectives.

A Contribution to a Better Understanding of the Group (Charales, Charophyceae): A Taxonomic Re-Examination of the Collected in the Province of Ferrara, Italy.

The identification of a charophyte population found in a rice field in Ferrara, North Italy, collected in 1999 and initially identified as , has been reevaluated. Detailed morphological observations here reported have suggested that the specimen displays characteristics more akin to , particularly in the structure of its bicellular dactyls and axillary heads. Additional examinations, including scanning electron microscopy (SEM) of oospores and analyses of herbarium specimens-encompassing original materials of , f.

The Role of Plain Radiography in Assessing Aborted Foetal Musculoskeletal Anomalies in Everyday Practice.

Conventional radiography is widely used for postmortem foetal imaging, but its role in diagnosing congenital anomalies is debated. This study aimed to assess the effectiveness of X-rays in detecting skeletal abnormalities and guiding genetic analysis and counselling. This is a retrospective analysis of all post-abortion diagnostic imaging studies conducted at a centre serving a population of over 300,000 inhabitants from 2008 to 2023.

Climatic and environmental changes of ~100 thousand years: The mammals from the early Middle Pleistocene sequence of Notarchirico (southern Italy).

Here we revise all the paleontological sample of Notarchirico, including historical collections and new findings collected during 2016-2023 excavations. Notarchirico is one of the most significant sites for the study of human evolution and terrestrial ecosystem dynamics during the Early-Middle Pleistocene Transition, preserving nearly 100.000 years of environmental and climatic changes constrained between 695 ± 6 ka and 614 ± 12 ka.

Multiscale computational analysis of the steady fluid flow through a lymph node.

Lymph Nodes (LNs) are crucial to the immune and lymphatic systems, filtering harmful substances and regulating lymph transport. LNs consist of a lymphoid compartment (LC) that forms a porous bulk region, and a subcapsular sinus (SCS), which is a free-fluid region. Mathematical and mechanical challenges arise in understanding lymph flow dynamics.

Quantum Information Driven Ansatz (QIDA): Shallow-Depth Empirical Quantum Circuits from Quantum Chemistry.

Hardware-efficient empirical variational ansätze for Variational Quantum Eigensolver (VQE) simulations of quantum chemistry often lack a direct connection to classical quantum chemistry methods. In this work, we propose a method to bridge this gap by introducing a novel approach to constructing a starting point for variational quantum circuits, leveraging quantum mutual information from classical quantum chemistry states to design simple yet effective heuristic ansätze with a topology reflecting the molecular system's correlations. As a first step, we make use of quantum chemistry calculations, such as Mo̷ller-Plesset (MP2) perturbation theory, to initially provide approximate Natural Orbitals, which have been shown to be the best candidate one-electron basis for developing compact empirical wave functions.

Search for Strange Quark Matter and Nuclearites on Board the International Space Station (SQM-ISS): A Future Detector to Search for Massive, Non-Relativistic Objects in Space.

SQM-ISS is a detector that will search from the International Space Station for massive particles possibly present among the cosmic rays. Among them, we mention strange quark matter, Q-Balls, lumps of fermionic exotic compact stars, Primordial Black Holes, mirror matter, Fermi balls, etc. These compact, dense objects would be much heavier than normal nuclei, have velocities of galaxy-bound systems, and would be deeply penetrating.

Polyimidazole ligands: Copper(II) complexes and antiproliferative activity in cancer cells.

The design of novel chelators for therapeutic applications has been the subject of extensive research to address various diseases. Many chelators can manipulate the levels of metal ions within cells and effectively modulate the metal excess. In some cases, chelators show significant toxicity to cells.

Circulating microRNAs as biomarkers for stratifying different phases of liver cancer progression and response to therapy.

Hepatocellular carcinoma (HCC) is the most common liver cancer and is among the leading causes of cancer-related death worldwide. There is no reliable biomarker for the early diagnosis of HCC. Circulating microRNAs (miRNAs) have attracted attention as potential biomarkers of disease.

Back(s) to basics: The concept of backing in stone tool technologies for tracing hominins' technical innovations.

The evolution of Paleolithic stone tool technologies is characterized by gradual increase in technical complexity along with changes in the composition of assemblages. In this respect, the emergence of retouched-backed tools is an important step and, for some, a proxy for "modern" behavior. However, backed tools emerge relatively early and develop together with major changes in Middle-Upper Pleistocene stone tool technologies.

CFTIlandslides, Italian database of historical earthquake-induced landslides.

Knowing the location, the extent and the characteristics of any earthquake-induced environmental phenomenon is becoming an increasingly pressing need for civil protection agencies and local administrations. In particular, earthquake-triggered landslides are known for being among the most important sources of secondary hazard, as they may cause significant losses and may delay rescue operations across large areas. The combination of the relatively frequent seismic release with a very high landslide susceptibility makes the Italian territory especially prone to the occurrence of earthquake-induced landslides.

Partial Water Intrusion and Extrusion in Hydrophobic Nanopores for Thermomechanical Energy Dissipation.

Forced wetting (intrusion) and spontaneous dewetting (extrusion) of hydrophobic/lyophobic nanoporous materials by water/nonwetting liquid are of great importance for a broad span of technological and natural systems such as shock-absorbers, molecular springs, separation, chromatography, ion channels, nanofluidics, and many more. In most of these cases, the process of intrusion-extrusion is not complete due to the stochastic nature of external stimuli under realistic operational conditions. However, understanding of these partial processes is limited, as most of the works are focused on an idealized complete intrusion-extrusion cycle.

Multiscale homogenization for dual porosity time-dependent Darcy-Brinkman/Darcy coupling and its application to the lymph node.

We study the coupling between time-dependent Darcy-Brinkman and the Darcy equations at the subjected to inhomogeneous body forces and initial conditions to describe a double porosity problem. We derive the homogenized governing equations for this problem using the asymptotic homogenization technique, and as macroscopic results, we obtain a coupling between two Darcy equations, one of which with memory effects, with mass exchange between phases. The memory effects are a consequence of considering the time dependence in the Darcy-Brinkman equation, and they allow us to study in more detail the role of time in the problem under consideration.

MiMiC: A high-performance framework for multiscale molecular dynamics simulations.

MiMiC is a framework for performing multiscale simulations in which loosely coupled external programs describe individual subsystems at different resolutions and levels of theory. To make it highly efficient and flexible, we adopt an interoperable approach based on a multiple-program multiple-data (MPMD) paradigm, serving as an intermediary responsible for fast data exchange and interactions between the subsystems. The main goal of MiMiC is to avoid interfering with the underlying parallelization of the external programs, including the operability on hybrid architectures (e.

[Two Cases of Pseudo-Bartter Syndrome in Childhood: When to Suspect a Rare Onset Pattern of Cystic Fibrosis].

Cystic fibrosis is a multisystem disease with extremely variable onset, symptoms and course. One of the onset modality but also a complication of the disease is the pseudo-Bartter syndrome, characterized by hyponatremia, hypochloremic dehydration and metabolic alkalosis in absence of any renal disease. This syndrome occurs more frequently in the first year of life and has a peak in the summer.