Molecular H as the Reducing Agent in Low-Temperature Oxide Reduction Using Calcium Hydride.

Low-temperature synthesis is crucial for advancing sustainable manufacturing and accessing novel metastable phases. Metal hydrides have shown great potential in facilitating the reduction of oxides at low temperatures, yet the underlying mechanism─whether driven by H, H, or atomic H─remains unclear. In this study, we employ electrical transport measurements and first-principles calculations to investigate the CaH-driven reduction kinetics in epitaxial α-FeO thin films.

The Impact of Resident Adipose Tissue Macrophages on Adipocyte Homeostasis and Dedifferentiation.

Obesity is concurrent with immunological dysregulation, resulting in chronic low-grade inflammation and cellular dysfunction. In pancreatic islets, this loss of function has been correlated with mature β-cells dedifferentiating into a precursor-like state through constant exposure to inflammatory stressors. As mature adipocytes likewise have the capability to dedifferentiate in vitro and in vivo, we wanted to analyze this cellular change in relation to adipose tissue (AT) inflammation and adipose tissue macrophage (ATM) activity.

Accelerating ab initio melting property calculations with machine learning: application to the high entropy alloy TaVCrW.

Melting properties are critical for designing novel materials, especially for discovering high-performance, high-melting refractory materials. Experimental measurements of these properties are extremely challenging due to their high melting temperatures. Complementary theoretical predictions are, therefore, indispensable.

Materials Design by Constructing Phase Diagrams for Defects.

Phase transformations and crystallographic defects are two essential tools to drive innovations in materials. Bulk materials design via tuning chemical compositions is systematized using phase diagrams. It is shown here that the same thermodynamic concept can be applied to manipulate the chemistry at defects.

Automatic Orbital Pair Selection for Multilevel Local Coupled-Cluster Based on Orbital Maps.

We present an automatic, orbital-map based orbital-pair selection scheme for multilevel local coupled-cluster approaches that exploits the locality of chemical reactions by focusing on the part of the molecule directly involved in the reaction. The previously introduced pair-selected multilevel extension to domain-based local pair natural orbital coupled-cluster with singles, doubles, and semicanonical perturbative triples [DLPNO-CCSD(T)] partitions the orbital pairs according to relative changes in pair correlation energies [Bensberg, M.; Neugebauer, J.

Retrospective Evaluation of Peri-Implant Marginal Bone Level of Reduced Diameter Implants by Mixed Model Analysis.

Purpose: The goal of successful implant placement is to maintain a long-term stable marginal peri-implant bone level (MBL). This retrospective study investigated the MBL of reduceddiameter implants (RDI). The implants were analyzed in different indication in the context of various surgical and prosthetic treatment strategies using heterogeneous data from a private practice.

Revealing the Reaction Pathway of Anodic Hydrogen Evolution at Magnesium Surfaces in Aqueous Electrolytes.

Aqueous metal corrosion is a major economic concern in modern society. A phenomenon that has puzzled generations of scientists in this field is the so-called anomalous hydrogen evolution: the violent dissolution of magnesium under electron-deficient (anodic) conditions, accompanied by strong hydrogen evolution and a key mechanism hampering Mg technology. Experimental studies have indicated the presence of univalent Mg in solution, but these findings have been largely ignored because they defy our common chemical understanding and evaded direct experimental observation.

Mid-Term Migration Pattern of a Cemented Collared Anatomical Stem-A Retrospective Study Using EBRA-FCA.

: Aseptic loosening is one of the leading causes of stem revision. Einzel Bild Röntgen Analyse-Femoral Component Analysis allows for the detection of distal stem migration, which is used as a predictive factor for implant longevity. This study aims to demonstrate the migration behavior of a cemented collared anatomical stem.

Functional Insights in PLS3-Mediated Osteogenic Regulation.

Plastin-3 (PLS3) encodes T-plastin, an actin-bundling protein mediating the formation of actin filaments by which numerous cellular processes are regulated. Loss-of-function genetic defects in PLS3 are reported to cause X-linked osteoporosis and childhood-onset fractures. However, the molecular etiology of PLS3 remains elusive.

Stereotactic Radiosurgery in Metastatic Spine Disease-A Systemic Review of the Literature.

Background: This study investigated the efficacy of stereotactic radiosurgery (SRS) in managing spinal metastasis. Traditionally, surgery was the primary approach, but SRS has emerged as a promising alternative.

Objective: The study aims to evaluate the efficacy of stereotactic radiosurgery in the management of spinal metastasis in terms of local tumor control, patient survival, and quality of life, identifying both advantages and limitations of SRS.

Molecular and supramolecular adaptation by coupled stimuli.

Adaptation transcends scale in both natural and artificial systems, but delineating the causative factors of this phenomenon requires urgent clarification. Herein, we unravel the molecular requirements for adaptation and establish a link to rationalize adaptive behavior on a self-assembled level. These concepts are established by analyzing a model compound exhibiting both light- and pH-responsive units, which enable the combined or independent application of different stimuli.

Treatment Outcomes for Maple Syrup Urine Disease Detected by Newborn Screening.

Objective: Maple syrup urine disease (MSUD), a life-threatening metabolic disorder, is included in newborn screening (NBS) programs worldwide. The study aims to evaluate the impact of NBS on the long-term outcome of MSUD patients.

Methods: We performed a prospective, national, multicenter, observational study.

Ceramic Implant Rehabilitation: Consensus Statements from Joint Congress for Ceramic Implantology: Consensus Statements on Ceramic Implant.

The objectives of the study group focused on the following main topics related to the performance of 1- and 2-piece ceramic implants: defining bone-implant-contact percentages and its measurement methods, evaluating the pink esthetic score as an esthetic outcome parameter after immediate implantation, recognizing the different results of ceramic implant designs as redefined by the German Association of Oral Implantology, incorporating the patient report outcome measure to include satisfaction and improvement in oral health-related quality of life, and conducting preclinical studies to address existing gaps in ceramic implants. During the Joint Congress for Ceramic Implantology (2022), the study group evaluated 17 clinical trials published between 2015 and 2021. After extensive discussions and multiple closed sessions, consensus statements and recommendations were developed, incorporating all approved modifications.

Evolution of the ionisation energy with the stepwise growth of chiral clusters of [4]helicene.

Polycyclic aromatic hydrocarbons (PAHs) are widely established as ubiquitous in the interstellar medium (ISM), but considering their prevalence in harsh vacuum environments, the role of ionisation in the formation of PAH clusters is poorly understood, particularly if a chirality-dependent aggregation route is considered. Here we report on photoelectron spectroscopy experiments on [4]helicene clusters performed with a vacuum ultraviolet synchrotron beamline. Aggregates (up to the heptamer) of [4]helicene, the smallest PAH with helical chirality, were produced and investigated with a combined experimental and theoretical approach using several state-of-the-art quantum-chemical methodologies.

Quasi-"In Situ" Analysis of the Reactive Liquid-Solid Interface during Magnesium Corrosion Using Cryo-Atom Probe Tomography.

The early stages of corrosion occurring at liquid-solid interfaces control the evolution of the material's degradation process, yet due to their transient state, their analysis remains a formidable challenge. Here corrosion tests are performed on a MgCa alloy, a candidate material for biodegradable implants using pure water as a model system. The corrosion reaction is suspended by plunge freezing into liquid nitrogen.

Influence of a Concomitant Medial Meniscus Injury on Knee Joint Function and Osteoarthritis Presence after Anterior Cruciate Ligament Reconstruction.

The aim of this study was to investigate how a medial meniscus injury accompanying an anterior cruciate ligament rupture affects the clinical outcome 10 years after ACL reconstruction. A total of 37 patients who received anterior cruciate ligament reconstruction (ACLR) were included in this retrospective study. Two groups were analyzed at a single follow-up of 10 years: (i) "isolated (ACLR)" ( = 20) and (ii) "ACLR with medial meniscal injury" ( = 17).

Comparative analysis of surface phase diagrams in aqueous environment: Implicit vs explicit solvation models.

Identifying the stable surface phases under a given electrochemical conditions serves as the basis for studying the atomistic mechanism of reactions at solid/water interfaces. In this work, we systematically compare the performance of the two main approaches that are used to capture the impact of an aqueous environment, implicit and explicit solvent, on surface energies and phase diagrams. As a model system, we consider the magnesium/water interface with (i) Ca substitution and (ii) proton and hydroxyl adsorption.

Charge Regulation at the Nanoscale as Evidenced from Light-Responsive Nanoemulsions.

Emulsions are indispensable in everyday life, and the demand for emulsions' diversity and control of properties is therefore substantial. As emulsions possess a high internal surface area, an understanding of the oil/water (o/w) interfaces at the molecular level is fundamental but often impaired by experimental limitations to probe emulsion interfaces in situ. Here, we have used light-responsive surfactants (butyl-AAP) that can photoisomerize between and isomers by visible and UV light irradiation to tune the emulsion interfaces.

Accelerating Analytic-Continuation GW Calculations with a Laplace Transform and Natural Auxiliary Functions.

We present a simple and accurate GW implementation based on a combination of a Laplace transform (LT) and other acceleration techniques used in post-self-consistent field quantum chemistry, namely, natural auxiliary functions and the frozen-core approximation. The LT-GW approach combines three major benefits: (a) a small prefactor for computational scaling, (b) easy integration into existing molecular GW implementations, and (c) significant performance improvements for a wide range of possible applications. Illustrating these advantages for systems consisting of up to 352 atoms and 7412 basis functions, we further demonstrate the benefits of this approach combined with an efficient implementation of the Bethe-Salpeter equation.