A comprehensive study of the influence of non-covalent interactions on electron density redistribution during the reaction between acetic acid and methylamine.

Context: A chemical reaction can be described, from a physicochemical perspective, as a redistribution of electron density. Additionally, non-covalent interactions locally modify the electron density distribution. This study aims to characterize the modification of reactivity caused by the presence of non-covalent interactions such as hydrogen bonds, in a reaction involving the formation of two bonds and the breaking of two others: CH₃COOH + NH₂CH₃ → CH₃CONHCH₃.

Epigenetics in the modern era of crop improvements.

Epigenetic mechanisms are integral to plant growth, development, and adaptation to environmental stimuli. Over the past two decades, our comprehension of these complex regulatory processes has expanded remarkably, producing a substantial body of knowledge on both locus-specific mechanisms and genome-wide regulatory patterns. Studies initially grounded in the model plant Arabidopsis have been broadened to encompass a diverse array of crop species, revealing the multifaceted roles of epigenetics in physiological and agronomic traits.

Two-Step Reshaping of Acicular Gold Nanoparticles.

Anisometric plasmonic nanoparticles find applications in various fields, from photocatalysis to biosensing. However, exposure to heat or to specific chemical environments can induce their reshaping, leading to loss of function. Understanding this process is therefore relevant both for the fundamental understanding of such nano-objects and for their practical applications.

Negative priors and inferences from absence of evidence in cognitive and linguistic archaeology: Epistemically sound and scientifically strategic.

The article provides an important warning but its general conclusions should be nuanced: (i) When there is no evidence for it, we should depart from the hypothesis that a species lacks a particular cognitive capacity, and (ii) inferences from absence of evidence can be epistemically sound and scientifically strategic in cognitive and linguistic archaeology.

Revising the null model in language evolution research.

We comment on the consequences of the target article for language evolution research. We propose that the default assumption should be that of language-readiness in extinct hominins, and the integration of different types of available evidence from multiple disciplines should be used to assess the likely extent of the realization of this readiness. The role of archaeological evidence should be reconsidered.

Predictive modelling of acute Promyelocytic leukaemia resistance to retinoic acid therapy.

Acute Promyelocytic Leukaemia (APL) arises from an aberrant chromosomal translocation involving the Retinoic Acid Receptor Alpha (RARA) gene, predominantly with the Promyelocytic Leukaemia (PML) or Promyelocytic Leukaemia Zinc Finger (PLZF) genes. The resulting oncoproteins block the haematopoietic differentiation program promoting aberrant proliferative promyelocytes. Retinoic Acid (RA) therapy is successful in most of the PML::RARA patients, while PLZF::RARA patients frequently become resistant and relapse.

Human parvovirus B19 as an unusual cause of Guillain-Barré syndrome: A case report.

Human Parvovirus B19 (B19V) is rarely observed in patients with Guillain-Barré syndrome. We report the case of a patient with rapidly progressive functional impotence of the limbs. B19V was detected in both blood and CSF samples.

Phenylphosphonic acid corroles: corroles that link and bind.

We report herein the synthesis and full spectroscopic characterization of two AB-corrole phosphonic acids. Thanks to the presence of a phosphonic acid functional group at the 10--position, the corroles were covalently linked to the hexanuclear Zr clusters of a PCN-222 metal-organic framework (MOF). After the insertion of cobalt into the corrole macrocycle, the metal complexes are able to bind small volatile molecules such as carbon monoxide (CO).

Coupling of single nanodiamonds hosting SiV color centers to plasmonic double bowtie microantennas.

Color centers are promising single-photon emitters owing to their operation at room temperature and high photostability. In particular, using nanodiamonds as a host material is of interest for sensing and metrology. Furthermore, being a solid-state system allows for incorporation to photonic systems to tune both the emission intensity and photoluminescence spectrum and therefore adapt the individual color center to desired properties.

A complementary experimental and computational study on methanol adsorption isotherms of H-ZSM-5.

Methanol adsorption isotherms of fresh f-ZSM-5 and steamed s-ZSM-5 (Si/Al ≈ 40) are investigated experimentally at room temperature under equilibrium and by grand canonical Monte Carlo (GCMC) simulations with the aim of understanding the adsorption capacity, geometry and sites as a function of steam treatment (at 573 K for 24 h). Methanol adsorption energies calculated by GCMC are complemented by density functional theory (DFT) employing both periodic and quantum mechanics/molecular mechanics (QM/MM) techniques. Physical and textural properties of f-ZSM-5 and s-ZSM-5 are characterised by diffuse reflectance infrared Fourier transformed spectroscopy (DRIFTS) and N-physisorption, which form a basis to construct models for f-ZSM-5 and s-ZSM-5 to simulate methanol adsorption isotherms by GCMC.

Intra-specific diversity and adaptation modify regime shifts dynamics under environmental change.

Environmental changes are a growing concern, as they exert pressures on ecosystems. In some cases, such changes lead to shifts in ecosystem structure. However, species can adapt to changes through evolution, and it is unclear how evolution interacts with regime shifts, which restricts ecosystem management strategies.

Ion pairing in aqueous tetramethylammonium-acetate solutions by neutron scattering and molecular dynamics simulations.

Tetramethylammonium (TMA) is a ubiquitous cationic motif in biochemistry, found in the charged choline headgroup of membrane phospholipids and in tri-methylated lysine residues, which modulates histone-DNA interactions and impacts epigenetic mechanisms. TMA interactions with anionic species, particularly carboxylate groups of amino acid residues and extracellular sugars, are of substantial biological relevance, as these interactions mediate a wide range of cellular processes. This study investigates the molecular interactions between TMA and acetate, representing carboxylate-containing groups, using neutron scattering experiments complemented by force fields and molecular dynamics (MD) simulations.

Fluorescent Artificial Receptor for Dopamine based on Molecular Recognition-driven Dynamic Covalent Chemistry in a Lipid Nanoreactor.

Molecular recognition and detection of small bioactive molecules, like neurotransmitters, remain a challenge for chemists, whereas nature found an elegant solution in form of protein receptors. Here, we introduce a concept of a dynamic artificial receptor that synergically combines molecular recognition with dynamic imine bond formation inside a lipid nanoreactor, inducing a fluorescence response. The designed supramolecular system combines a lipophilic recognition ligand derived from a boronic acid, a fluorescent aldehyde based on push-pull styryl pyridine and a phenol-based catalyst.

Open frameworks in the NaMn(PO)F fluoro-pyrophosphates system.

Three new sodium manganese fluoro-pyrophosphate compounds, namely, NaMn(PO)F (I), NaMn(PO)F (II), and NaMn(PO)F (III), have been synthesized by heating a mixture of NaPF, NaPOF or NaHPO with different Mn sources in NaNO and KNO fluxes. The structures of the title compounds were characterized single-crystal X-ray diffraction (XRD). II is characteristic of a shell of Na ions that encloses one [Mn(PO)F] unit, whereas I and III reveal three-dimensional (3D) frameworks that consist of MnO, Mn/NaOF octahedra or MnO octahedra and distorted MnO square pyramids with PO units, where Na cations reside in different-membered ring one-dimensional (1D) tunnels.

Impacts of immersive 3D videos on students' surgical learning compared to 2D videos: a randomized controlled trial.

Background: Unlike other medical specialties, surgery is primarily learned through apprenticeship, by observing surgeons in action during operations. However, the increasing number of medical students and work-hour restrictions limit opportunities for learning in the operating room (OR). These circumstances call for novel technologies, such as immersive video.

A phase II double-blind multicentre, placebo-controlled trial to assess the efficacy and safety of alpelisib (BYL719) in paediatric and adult patients with Megalencephaly-CApillary malformation Polymicrogyria syndrome (MCAP): the SESAM study protocol.

Introduction: The megalencephaly capillary malformation polymicrogyria (MCAP syndrome) results from mosaic gain-of-function variants. The main clinical features are macrocephaly, somatic overgrowth, neurodevelopmental delay and brain anomalies. Alpelisib (Vijoice) is a recently FDA-approved PI3Kα-specific inhibitor for patients with PIK3CA-related overgrowth spectrum (PROS).

PAK3 pathogenic variant associated with sleep-related hypermotor epilepsy in a family with parental mosaicism.

Protein-activated kinases mediate spine morphogenesis and synaptic plasticity. PAK3 is part of the p21-activated kinases (PAKs) family of Ras-signaling serine/threonine kinases. Pathogenic variants in the X-linked gene PAK3 have been described in patients with neurodevelopmental syndromes.

What are parents' preferences for Human Papillomavirus vaccination promotion messages and communication? Application of a discrete choice experiment to a French Caribbean setting.

Introduction: Human Papillomavirus (HPV) vaccine uptake in the French Caribbean has remained below 25% since introduction in 2007, which is well behind national and international targets. Using a discrete choice experiment (DCE), we explored parental preferences around HPV vaccination and optimized communication content in a sample of parents of middle-school pupils in Guadeloupe.

Methods: We conducted a cross-sectional survey in public and private middle age schools in Guadeloupe in June 2023 using an online questionnaire.

Transcription factor FOXD1 and miRNA-204-5p play a major role in B4GALNT2 downregulation in colon cancer.

The β1,4-N-acetylgalactosaminyltransferase 2 (B4GALNT2) which synthesizes the histo-blood group antigen Sd is highly expressed by normal colon, but it is dramatically down-regulated in colorectal cancer (CRC). High B4GALNT2 expression in CRC tissues is a marker of longer survival. The molecular bases of B4GALNT2 inhibition in CRC are largely obscure.

Uniform impact on individual megakaryocytes is essential for efficient in vitro platelet production.

Different approaches are being developed to efficiently produce in vitro platelets from cultured megakaryocytes to meet the constant demand of platelet transfusion and serve for research purposes. Recent works have shown that turbulence and periodic stress can significantly enhance platelet yield. Here we have developed and characterized a platelet production device that takes in account these properties.

Genome-wide association study unravels mechanisms of brain glymphatic activity.

Brain glymphatic activity, as indicated by diffusion-tensor imaging analysis along the perivascular space (ALPS) index, is involved in developmental neuropsychiatric and neurodegenerative diseases, but its genetic architecture is poorly understood. Here, we identified 17 unique genome-wide significant loci and 161 candidate genes linked to the ALPS-indexes in a discovery sample of 31,021 individuals from the UK Biobank. Seven loci were replicated in two independent datasets.

Conformational diversity in class C GPCR positive allosteric modulation.

The metabotropic glutamate receptors (mGlus) are class C G protein-coupled receptors (GPCR) that form obligate dimers activated by the major excitatory neurotransmitter L-glutamate. The architecture of mGlu receptor comprises an extracellular Venus-Fly Trap domain (VFT) connected to the transmembrane domain (7TM) through a Cysteine-Rich Domain (CRD). The binding of L-glutamate in the VFTs and subsequent conformational change results in the signal being transmitted to the 7TM inducing G protein binding and activation.

[Recommendations for clinical practice: Prevention and management of varicella zoster virus (VZV) infection during pregnancy and the perinatal period (extended version)].

The Société de Pathologie Infectieuse de Langue Française released in 2024 a new national recommendation for clinical practice on the prevention and management of varicella zoster virus (VZV) infection during pregnancy and the perinatal period. The previous recommendation was issued in 1998, at a time of anti-VZV immunoglobulins shortage; it has hence become obsolete. This recommendation is a formalized expert consensus focusing on infectious diseases management; it is drawn up by a multidisciplinary working group (infectiologists, obstetricians, pediatricians, microbiologists, midwives, hygienists).

Low-level primary clarithromycin resistance of Helicobacter pylori in Reunion Island.

Introduction: The increasing resistance of Helicobacter pylori to clarithromycin leads to an ongoing adaptation of empirical first-line treatment for H. pylori infections.

Patients And Methods: Prospective study (2022-2023) of 364 patients with no previous treatment for H.