Accuracy, transferability, and computational efficiency of interatomic potentials for simulations of carbon under extreme conditions.

Large-scale atomistic molecular dynamics (MD) simulations provide an exceptional opportunity to advance the fundamental understanding of carbon under extreme conditions of high pressures and temperatures. However, the fidelity of these simulations depends heavily on the accuracy of classical interatomic potentials governing the dynamics of many-atom systems. This study critically assesses several popular empirical potentials for carbon, as well as machine learning interatomic potentials (MLIPs), in their ability to simulate a range of physical properties at high pressures and temperatures, including the diamond equation of state, its melting line, shock Hugoniot, uniaxial compressions, and the structure of liquid carbon.

Re-evaluating the human remains from El Bosquet cave (Mont-ral, Tarragona, Spain): healed trauma and forgotten past.

During the early development of archaeology in Spain, many of the materials obtained from excavations were later forgotten in museum deposits. However, re-investigation of these collections with contemporary methodologies can still contribute valuable knowledge. This study presents the case of El Bosquet Cave (Mont-ral, Tarragona, Spain), located in the Northeastern Iberian Peninsula.

Atomic cluster expansion potential for large scale simulations of hydrocarbons under shock compression.

We present an Atomic Cluster Expansion (ACE) machine learned potential developed for high-fidelity atomistic simulations of hydrocarbons, targeting pressures and temperatures near and above supercritical fluid regimes for molecular fluids. A diverse set of stoichiometries were covered in training, including 1:0 (pure carbon), 1:4 (methane), and 1:1 (benzene), and rich bonding environments sampled at supercritical temperatures, hydrogen rich, reactive mixtures where metastable stoichiometries arise, including 1:2 (ethylene) and 1:3 (ethane). A high-fidelity training database was constructed by performing large-scale quantum molecular dynamic simulations [density functional theory (DFT) MD] of diamond, graphite, methane, and benzene.

Domestication as the evolution of interspecies cooperative breeding.

We propose that domestication is the result of interspecies cooperative breeding. Considering domestication as an outcome of cooperative breeding can explain how domestication occurs in both plants and animals, encompass cases of domestication that do not involve humans, and shed light on why humans are involved in so many domesticatory relationships. We review the cooperative breeding model of human evolution, which posits that care of human infants by alloparents enabled the evolution of costly human brains and long juvenile development, while selecting for tolerance of strangers.

The varied clinical and radiological manifestations of contrast-induced encephalopathy following coronary angiography.

Contrast-induced encephalopathy (CIE) is a rare complication of imaging using ionidated contrast media. Its pathogenesis remains unknown, and its clinical presentation is variable. We present two cases of CIE following coronary angiography (CAG) that underscore the multitude of clinical manifestations and imaging findings associated with the disorder.

Prognostic Role of Neutrophil to Lymphocyte Ratio in Contrast-Induced Nephropathy: A Systematic Review and Meta-analysis.

This meta-analysis assessed the use of the neutrophil-to-lymphocyte ratio (NLR) as a means of early detection of contrast-induced nephropathy (CIN) following diagnostic or therapeutic procedures. We used Web of Science, PubMed, and Scopus to conduct a systematic search. There was no limitation regarding language or date of publication.

Reassessing trauma in a Late Neolithic cranium from Megalitho da Capella (Figueira da Foz, Portugal).

The (Figueira da Foz, Coimbra, Portugal) is one of at least 21 dolmens in a megalithic complex explored by António dos Santos Rocha between 1880 and 1909. Among the human remains from Megalitho da Capella is an incomplete and fragmented cranium. Santos Rocha interpreted a groove on the parietal bone as an incision of traumatic origin with signs of remodeling that was suggestive of prolonged survival after an intentional intervention.

Extreme Metastability of Diamond and its Transformation to the BC8 Post-Diamond Phase of Carbon.

Diamond possesses exceptional physical properties due to its remarkably strong carbon-carbon bonding, leading to significant resilience to structural transformations at very high pressures and temperatures. Despite several experimental attempts, synthesis and recovery of the theoretically predicted post-diamond BC8 phase remains elusive. Through quantum-accurate multimillion atom molecular dynamics (MD) simulations, we have uncovered the extreme metastability of diamond at very high pressures, significantly exceeding its range of thermodynamic stability.

Neutrophil to Lymphocyte Ratio and Periprosthetic Joint Infection: A Systematic Review and Meta-Analysis.

Background: The neutrophil-to-lymphocyte ratio (NLR) has shown promising results as a diagnostic tool for periprosthetic joint infection (PJI) after total joint arthroplasty. We conducted a systematic review and meta-analysis to determine the utility of NLR in the diagnosis of PJI.

Methods: We searched PubMed, Scopus, and Web of Science from inception up to 2022 and evaluated the quality of the included literature.

Dental wear and oral pathology among sex determined Early Bronze-Age children from Franzhausen I, Lower Austria.

The physical properties of diet and oral health throughout childhood play an important role in the development of human dentition, and differed greatly before the industrial revolution. In this study we examined dental wear and oral pathology in a sample of children from the Early Bronze-Age to investigate the physical and mechanical properties of childhood diet and related oral health. We explore cross-sectional age and sex-based variation of children in the sample.

"Timing of percutaneous endoscopic gastrostomy tube placement in post-stroke patients does not impact mortality, complications, or outcomes": Commentary.

In this commentary, we summarize some of the key points of the original paper "Timing of percutaneous endoscopic gastrostomy tube placement in post-stroke patients does not impact mortality, complications, or outcomes" and offer support for the proposed results. Specifically, we address how early percutaneous endoscopic gastrostomy (PEG) tube placement may reduce hospital length of stay and costs. We also discuss topics related to the article including PEG weaning and post-stroke nutritional formulation.

Secondary Mechanisms of Neurotrauma: A Closer Look at the Evidence.

Traumatic central nervous system injury is a leading cause of neurological injury worldwide. While initial neuroresuscitative efforts are focused on ameliorating the effects of primary injury through patient stabilization, secondary injury in neurotrauma is a potential cause of cell death, oxidative stress, and neuroinflammation. These secondary injuries lack defined therapy.

Improving Gene Therapy for Angelman Syndrome with Secreted Human UBE3A.

The rare genetic neurodevelopmental disease Angelman syndrome (AS) is caused by the loss of function of UBE3A, a ubiquitin ligase. The disease results in a lifetime of severe symptoms, including intellectual disability and motor impairments for which there are no effective treatments. One avenue of treatment for AS is the use of gene therapy to reintroduce a functional copy of the UBE3A gene.

Endocrine resistant breast cancer: brain metastasis.

Endocrine resistant breast cancer metastasis continues to serve as a significant clinical challenge with high morbidity and mortality for patients. As the number of breast cancer cases continues to rise, the rate of brain metastasis has also increased. For single lesions or a large symptomatic lesion with other smaller lesions, surgical resection is a viable option in non-eloquent regions.

Technical note: Artificial Resynthesis Technology for the experimental formation of dental microwear textures.

Dental microwear formation on the posterior dentition is largely attributed to an organism's diet. However, some have suggested that dietary and environmental abrasives contribute more to the formation process than food, calling into question the applicability of dental microwear to the reconstruction of diet in the fossil record. Creating microwear under controlled conditions would benefit this debate, but requires accurately replicating the oral environment.

Identification of UBE3A Protein in CSF and Extracellular Space of the Hippocampus Suggest a Potential Novel Function in Synaptic Plasticity.

Disruptions to the maternally inherited allele UBE3A, encoding for an E3 ubiquitin ligase, leads to the manifestation of Angelman Syndrome (AS). While this disorder is rare, the symptoms are severe and lifelong including but not limited to: intractable seizures, abnormal EEG's, ataxic gait, lack of speech, and most notably an abnormally happy demeanor with easily provoked laughter. Currently, little is known about the neurophysiological underpinnings of UBE3A leading to such globally severe phenotypes.

Oral pathological conditions of an Early Epipaleolithic human from Southwest Asia: Ohalo II H2 as a probable case of intentional dental ablation.

Objective: To describe the oral pathological conditions of Ohalo II H2, an Early Epipaleolithic human from southwest Asia.

Materials: The dentognathic skeleton of Ohalo II H2 and relevant comparative data from similar chronological and/or geographic contexts.

Methods: Gross and x-ray observations of oral pathological conditions and occlusal wear were made following published protocols.

Hierarchy in Metal-Organic Frameworks.

Sequence-defined nucleic acids and proteins with internal monomer sequences and arrangement are vital components in the living world, as a result of billions of years of molecular evolution. These natural hierarchical systems have inspired researchers to develop artificial hierarchical materials that can mimic similar functions such as replication, recognition, and information storage. In this Outlook, we describe the conceptual introduction of hierarchy into the design of metal-organic framework (MOF) materials.

Generation of a Novel Rat Model of Angelman Syndrome with a Complete Ube3a Gene Deletion.

Angelman syndrome (AS) is a rare genetic disorder characterized by severe intellectual disability, seizures, lack of speech, and ataxia. The gene responsible for AS was identified as Ube3a and it encodes for E6AP, an E3 ubiquitin ligase. Currently, there is very little known about E6AP's mechanism of action in vivo or how the lack of this protein in neurons may contribute to the AS phenotype.

Biocultural diversity in Late Pleistocene/Early Holocene Africa: Olduvai Hominid 1 (Tanzania) biological affinity and intentional body modification.

Objectives: The dentition of Olduvai Hominid 1 (OH1) exhibits an anomalous pattern of dental wear that was originally attributed to either intentional cultural modification (filing) or plant processing behaviors. A differential diagnosis of the wear and assessment of the biological affinity of OH1 is presented.

Materials And Methods: Macroscopic and microscopic observations of all labial and buccal tooth surfaces were undertaken to assess wear patterns.

Anterior tooth-use behaviors among early modern humans and Neandertals.

Early modern humans (EMH) are often touted as behaviorally advanced to Neandertals, with more sophisticated technologies, expanded resource exploitation, and more complex clothing production. However, recent analyses have indicated that Neandertals were more nuanced in their behavioral adaptations, with the production of the Châtelperronian technocomplex, the processing and cooking of plant foods, and differences in behavioral adaptations according to habitat. This study adds to this debate by addressing the behavioral strategies of EMH (n = 30) within the context of non-dietary anterior tooth-use behaviors to glean possible differences between them and their Neandertal (n = 45) counterparts.

Imprinted Apportionment of Functional Groups in Multivariate Metal-Organic Frameworks.

Sophisticated chemical processes widely observed in biological cells require precise apportionment regulation of building units, which inspires researchers to develop tailorable architectures with controllable heterogeneity for replication, recognition and information storage. However, it remains a substantial challenge to endow multivariate materials with internal sequences and controllable apportionments. Herein, we introduce a novel strategy to manipulate the apportionment of functional groups in multivariate metal-organic frameworks (MTV-MOFs) by preincorporating interlocked linkers into framework materials.

Facile Exfoliation of 3D Pillared Metal-Organic Frameworks (MOFs) to Produce MOF Nanosheets with Functionalized Surfaces.

The production of two-dimensional (2D) ultrathin metal-organic framework (MOF) nanosheets with functionalized surfaces is significant for extending their applications. To date, no protocol has been developed yet to solve this problem. Herein, we report a facile, mild, and efficient method to produce 2D monolayer MOF nanosheets with hydrophobic surfaces from layer-pillared 3D MOFs.