Rim-brominated pillarplexes and their assembly self-sorting.

We report rim-brominated pillarplexes, new examples of functionalised supramolecular organometallic complexes (SOCs). The bromide atoms can be introduced to the established pristine ligand precursor, demonstrating late-stage diversification of our ligand platform. SC-XRD/ED-derived crystal structures of precursor and pillarplex salts are reported along with competitive assembly experiments of the Ag(I) pillarplex, showing narcissistic self-sorting behavior.

Rayleigh wave attenuation and phase velocity maps of the greater Alpine region from ambient noise.

We use seismic ambient noise data from 724 publicly available broadband seismic stations across central Europe to create detailed phase velocity and attenuation maps of Rayleigh waves, focusing on short periods down to 3 s. We interpret these maps in terms of the underlying physical processes relevant to the nature of continental crust. Through a regionalized interpretation based on tectonic settings, we highlight the significant role of fluid-filled fractures in the attenuation of surface waves.

Explicit and implicit timing across the adult lifespan.

The study of whether temporal processing in the millisecond-to-seconds range changes with age is an active and debated research field. Here, we adopted a lifespan approach in which younger to older participants performed both explicit and implicit timing tasks (time bisection and foreperiod tasks, respectively) in a single session. Three hundred seven participants (age range: 20-85 years) took part in the study.

Simulating Non-Markovian Dynamics in Multidimensional Electronic Spectroscopy via Quantum Algorithm.

Including the effect of the molecular environment in the numerical modeling of time-resolved electronic spectroscopy remains an important challenge in computational spectroscopy. In this contribution, we present a general approach for the simulation of the optical response of multichromophore systems in a structured environment and its implementation as a quantum algorithm. A key step of the procedure is the pseudomode embedding of the system-environment problem resulting in a finite set of quantum states evolving according to a Markovian quantum master equation.

Effect of Biomass Drying Protocols on Bioactive Compounds and Antioxidant and Enzymatic Activities of Red Macroalga .

is a red seaweed used globally in various biotechnological processes. To ensure the content and stability of its bioactive compounds postharvest, suitable drying protocols must be adopted to provide high-quality raw materials for industrial use. This study aimed to analyze the influence of freeze-drying and oven-drying on the total phenolic content (TPC), total flavonoid content (TFC), antioxidant activity (FRAP and DPPH assays), total carotenoid content (TC), and lipase (LA) and protease activity (PA) of samples collected over the seasons in sea farms in southern Brazil.

Dataset of shallow sub-surface soil moisture and soil temperature at various distances from downed trees and logs in a forest after wildfire in Central Italy.

In a conifer forest in Central Italy burnt by wildfire in 2017, shallow sub-surface (topmost 5 cm) soil temperature and soil moisture (% volumetric water content) were measured during summer 2022. Various distances from downed trees (natural barriers) and log erosion barriers (artificial barriers) were sampled. Additional data on the hour of sampling, barriers characteristics, and barriers location were collected.

Lesson in understanding parents' perspective: perception of quality of care and COVID-19-related fears among users of paediatric health services over the COVID-19 pandemic in 11 facilities in Italy.

Background: The COVID-19 pandemic had an important psychological impact on children and their families. This study aims to explore paediatric health services users' perceptions of quality of care (QOC) and COVID-19-related fears, and their evolution over time in relation to COVID-19 pandemic.

Methods: In a multicentre cross-sectional study involving 11 public hospitals providing paediatric care across the Italian territory, we collected data from services users through a validated questionnaire.

IMMUNOREACT 8: Immune markers of local tumor spread in patients undergoing transanal excision for clinically N0 rectal cancer.

Background: Transanal excision of rectal cancer can be considered the definitive surgical treatment if the depth spread is T1 or lower, and the lesion is completely included within the resection margin. This study aims to analyze the immune microenvironment in healthy rectal mucosa as a possible predictor of tumor infiltration depth, lateral tumor spread, and recurrence of rectal cancer after transanal local excision.

Methods: This study is a subanalysis of data from the IMMUNOREACT 1 and 2 trials (NCT04915326 and NCT04917263, respectively) including all the patients who underwent transanal excision of rectal cancer.

Deterministic and Faster GW Calculations with a Reduced Number of Valence States: ( ln ) Scaling in the Plane-Waves Formalism.

We introduce a method for reducing the number of valence states entering the calculation of screened the Coulomb interaction in calculations. In this way, denoting with the generic size of a system, the computational cost is brought from the typical () to the more favorable ( ln ). The method becomes effective for large model structures.

Machine learning directed discovery and optimisation of a platinum-catalysed amide reduction.

The discovery and optimisation of reaction conditions leading to the reduction of amides, a fundamental large-scale industrial reaction, is achieved using a machine learning (ML) platform and a platinum catalyst. The optimisation leads to the discovery of a new platinum-based catalytic system that displays unexpectedly high performance. The approach enables rapid and high conversions at ppm-level catalyst loadings.

Decreasing the Uncertainty in the Comparison of Molecular Fingerprints of Organic Aerosols with H/D Exchange Mass Spectrometry.

High-resolution mass spectrometry (HRMS) has become an indispensable tool in the characterization of organic aerosols (OA) providing information on air quality, health assessment, climate trends, reactions, and source apportionment. Spectra-derived lists of formulas and their relative abundances are used to compare ambient OA from different sources or to monitor secondary OA formation under controlled laboratory conditions in smog chamber experiments. Various techniques are implemented to visualize common and unique features, series of precursors, and products.

Tuning direct-written terahertz metadevices with organic mixed ion-electron conductors.

In the past decade, organic mixed ion-electron conductors have been successfully adopted in innovative bioelectronic, neuromorphic, and electro-optical technologies, as well as in multiple energy harvesting and printed electronics applications. However, despite the intense research efforts devoted to these materials, organic mixed conductors have not yet found application in electronic/photonic devices operating in key regions of the electromagnetic spectrum, such as the microwave (>5 GHz) and terahertz (0.1-10 THz) ranges.

Improving the sustainability and quality of kidney health care through life cycle assessments, quality improvement, education and technical innovations: the KitNewCare approach.

The European Union (EU)-funded KitNewCare consortium aims to create and manage a comprehensive EU-wide programme focusing on sustainability in Kidney Care. Around 850 million people have chronic kidney disease (CKD) worldwide and by 2030, 6 million will need kidney replacement therapy, mainly haemodialysis. As the world population gets older, projections for the end of the century worsen.

[Biomarkers and Bone Turnover Markers in Chronic Kidney Disease - Mineral and Bone Disorders (CKD-MBD): Recent Advances].

Chronic Kidney Disease (CKD) provokes biochemical and systemic alterations, causing bone fragility with an increase in bone fracture risk, extraskeletal calcifications, increased morbidity, and cardiovascular mortality. The complex pathophysiological mechanism causes a syndrome called CKD-MBD (Chronic Kidney Disease - Mineral and Bone Disorders), which includes mineral and bone alterations leading to renal osteodystrophy (ROD). An early diagnosis is therefore essential to prevent the onset of more severe complications.

Effect of Ketamine on the Bispectral Index, Spectral Edge Frequency, and Surgical Pleth Index During Propofol-Remifentanil Anesthesia: An Observational Prospective Trial.

Background: Ketamine administration during stable propofol anesthesia is known to be associated with an increase in bispectral index (BIS) but a "deepening" in the level of hypnosis. This study aimed to evaluate the association between the effect-site concentration of ketamine (CeK) and 2 electroencephalogram (EEG)-derived parameters, the BIS and spectral edge frequency (SEF95), after the administration of a ketamine bolus. Secondary aims included investigating the BIS and SEF95 variations with time and changes in the surgical pleth index (SPI).

Exploring the reductive CO fixation with amines and hydrosilanes using readily available Cu(II) NHC-phenolate catalyst precursors.

-Methylation of amines is of great interest in the synthesis of pharmaceuticals and valuable compounds, and the possibility to perform this reaction with an inexpensive and non-toxic substrate like CO and its derivatives is quite appealing. Herein, the synthesis of four novel homoleptic Cu(II) complexes with hybrid NHC-phenolate (NHC = -Heterocyclic Carbene) ligands is reported, and their use in the catalytic -methylation of amines with CO in the presence of hydrosilanes is explored. Both bidentate or tetradentate ligands can be used in the preparation of the complexes provided that the structural requirement that the two NHC and the two phenolate donors in the metal coordination sphere are mutually in is fulfilled.

Stacking correlation length in single-stranded DNA.

Base stacking is crucial in nucleic acid stabilization, from DNA duplex hybridization to single-stranded DNA (ssDNA) protein binding. While stacking energies are tiny in ssDNA, they are inextricably mixed with hydrogen bonding in DNA base pairing, making their measurement challenging. We conduct unzipping experiments with optical tweezers of short poly-purine (dA and alternating dG and dA) sequences of 20-40 bases.

Evaluating the consistency of judgments derived through both in silico and expert application of the Cramer classification scheme.

The Cramer classification scheme has emerged as one of the most extensively-adopted predictive toxicology tools, owing in part to its employment for chemical categorisation within threshold of toxicological concern evaluation. The characteristics of several of its rules have contributed to inconsistencies with respect to degree of hazard attributed to common (particularly food-relevant) substances. This investigation examines these discrepancies, and their origins, raising awareness of such issues amongst users seeking to apply and/or adapt the rule-set.

Resting-state EEG spectral and fractal features in dementia with Lewy bodies with and without visual hallucinations.

Objective: Complex visual hallucinations (VH) are a core feature of dementia with Lewy bodies (DLB), though they may not occur in all patients. Power spectral density (PSD) analysis of resting-state EEG (rs-EEG) shows associations between some frequency bands (e.g.

Follow-up of early breast cancer in a public health system: A 2024 AIGOM consensus project.

Breast cancer stands as the most frequently diagnosed cancer and the primary cause of cancer-related mortality among women worldwide, including Italy. With the increasing number of survivors, many are enrolled in regular follow-up programs. However, adherence to recommendations from scientific societies (such as ASCO, ESMO, AIOM) for breast cancer follow-up management varies in daily clinical practice across different cancer centers, potentially resulting in unequal management and escalating costs.

New insights in the mechanism of the SARS-CoV-2 M inhibition by benzisoselenazolones and diselenides.

Although global vaccination campaigns alleviated the SARS-CoV-2 pandemic in terms of morbidity and mortality, the ability of the virus to originate mutants may reduce the efficacy of vaccines, posing a serious risk of a renewed pandemic. There is therefore a need to develop small molecules capable of targeting conserved viral targets, such as the main protease (M). Here, a series of benzisoselenazolones and diselenides were tested for their ability to inhibit M; then the most potent compounds were measured for antiviral activity in vitro, and the mechanism of action was investigated.