A General and Transferable Local Hybrid Functional for Electronic Structure Theory and Many-Fermion Approaches.

Density functional theory has become the workhorse of quantum physics, chemistry, and materials science. Within these fields, a broad range of applications needs to be covered. These applications range from solids to molecular systems, from organic to inorganic chemistry, or even from electrons to other Fermions, such as protons or muons.

Maintaining habitual physical activity by overcoming disruptive competing actions: mechanisms and interventions.

Habits are mental representations of associations between actions and contextual contingencies. Habit formation can be efficacious in promoting health behavior maintenance, including for highly complex behaviors such as physical activity. Changes in circumstances (e.

Degradable starch microspheres transarterial chemoembolization (DSM-TACE) in patients with unresectable hepatocellular carcinoma: results from the Prospective Multicenter Observational HepaStar Trial.

Objectives: Despite increasing interest, prospective data on the use of degradable starch microsphere-transarterial chemoembolization (DSM-TACE) in the management of patients with unresectable HCC are still scarce. The objective of the HepaStar study was to collect prospective safety and effectiveness data in a prospective multicenter observational study.

Materials And Methods: Between January 2017 and December 2022, consecutive participants with unresectable or recurrent HCC treated with DSM-TACE as standard of care at 6 participating centers in Europe were enrolled.

A Comparative Pharmacokinetics Study of Orally and Intranasally Administered 8-Nitro-1,3-benzothiazin-4-one (BTZ043) Amorphous Drug Nanoparticles.

BTZ043 is an 8-nitro-1,3-benzothiazin-4-one with potency against multidrug-resistant . Low solubility and hepatic metabolism are linked to poor oral bioavailability. Amorphous drug nanoparticles (ADN) were formulated to improve the bioavailability.

A spheroid whole mount drug testing pipeline with machine-learning based image analysis identifies cell-type specific differences in drug efficacy on a single-cell level.

Background: The growth and drug response of tumors are influenced by their stromal composition, both in vivo and 3D-cell culture models. Cell-type inherent features as well as mutual relationships between the different cell types in a tumor might affect drug susceptibility of the tumor as a whole and/or of its cell populations. However, a lack of single-cell procedures with sufficient detail has hampered the automated observation of cell-type-specific effects in three-dimensional stroma-tumor cell co-cultures.

Modelling the transformation of energy-intensive industries based on site-specific investment decisions.

The transition towards climate-neutral industry is a challenge, particularly for heavy industries like steel and basic chemicals. Existing models for assessing industrial transformation often lack spatial resolution and fail to capture individual investment decisions. Consequently, the spatial interplay between industry transformation, energy availability, infrastructure availability, and the dynamics of discrete investments is inadequately addressed.

Primary cutaneous rhabdomyosarcoma with EWSR1/FUS::TFCP2 fusion: four new cases with distinctive morphology, immunophenotypic, and genetic profile.

EWSR1/FUS::TFCP2-rearranged rhabdomyosarcoma (RMS) is a rare tumor with an aggressive clinical course, a predilection for craniofacial bones, spindled and/or epithelioid histomorphology, and positive immunohistochemistry (IHC) for epithelial and myogenic markers, along with variable ALK expression. Herein, we present four additional cases of primary cutaneous TFCP2-rearranged RMS. Notably, one tumor (case 1) displayed a varied pathological spectrum, initially presenting as a low-grade spindle cell neoplasm, but progressed into a high-grade spindle/epithelioid tumor.

Rehabilitation after surgical release of the stiff elbow: A literature review.

Background: Elbow stiffness poses a significant challenge for surgeons as well as physiotherapists during and after surgery. To date, there is no consensus regarding the subsequent rehabilitation after surgical release of the stiff elbow.

Objective: The aim is to evaluate the most important therapeutic strategies following open or arthroscopic release of the stiff elbow based on a comprehensive literature review, and to develop a consensus for or against specific therapeutic methods with the help of a survey among elbow experts of the D-A-CH Association for Shoulder and Elbow Surgery (DVSE).

Assessing vegetation dynamics and human impacts in natural and urban areas of China: Insights from remote sensing data.

Vegetation changes and human activities in both natural and urban environments have played a crucial role in carbon cycling and sustainable development globally. However, there is an insufficient comparison in national vegetation changes across regions with varying intensities of human activities to those natural areas. Based on urban boundary and night-time light datasets, we have identified and extracted rural, urban-low activity, and urban-high activity areas within China.

Kinetic Modeling of the Antibody Disulfide Bond Reduction Reaction With Integrated Prediction of the Drug Load Profile for Cysteine-Conjugated ADCs.

Antibody-drug conjugates (ADC) constitute a groundbreaking advancement in the field of targeted therapy. In the widely utilized cysteine conjugation, the cytotoxic payload is attached to reduced interchain disulfides which involves a reduction of the native monoclonal antibody (mAb). This reaction needs to be thoroughly understood and controlled as it influences the critical quality attributes (CQAs) of the final ADC product, such as the drug-to-antibody ratio (DAR) and the drug load distribution (DLD).

Prediction of talent selection in elite male youth soccer across 7 seasons: A machine-learning approach.

This study aimed to investigate the relative importance of parameters from several domains associated to both selecting or de-selecting players with regards to the next age group within a professional German youth soccer academy across a 7-year period. Following a mixed-longitudinal approach, physical, physiological, psychological, skill-, health-, age-, and position-related parameters were collected from 409 male players (980 datapoints) from the U12 to U19 age groups. Supervised machine learning classifiers were used to predict the selection status regarding the next age group.

Eyelid Dynamics Characterization with 120 GHz mmW Radar.

This paper presents a new approach to measuring eyelid movement using millimeter wave (mmW) radar technology. A two-step method is proposed, involving the observation of a small resolution cell corresponding to the monitored eye and the evaluation of the phase evolution over the measurement period. Simulations are conducted to support radar system optimization and data interpretation with a focus on detecting eyelid movement patterns and compensating for interference from other parts of the body.

Curcumin Inhibits Oxidative Stress and Apoptosis Induced by HO in Bovine Adipose-Derived Stem Cells (bADSCs).

In livestock production, oxidative stress (OS) is ubiquitous, reducing animal productivity and product quality. Hence, investigating the mechanisms of oxidative stress in livestock and inhibiting oxidative stress-induced damage is crucial. Curcumin, a plant-derived bioactive compound, exhibits antioxidant and anti-apoptotic properties.

Assessing maximal sprinting speed in soccer - criterion validity of commonly used devices.

This study aimed to investigate the criterion validity of commonly used devices to assess maximal sprinting speed (MSS) in soccer. Thirty elite youth soccer players completed three trials of a 30-m sprint test to assess MSS. All sprints were simultaneously captured via a radar gun (Stalker ATS II), timing gates (Smartspeed Pro, Fusion Sport), a magnetic timing system (Humotion SmarTracks) and a global navigation satellite system (GNSS) (Kinexon Perform GPS Pro).

Physical One-Way Functions for Decentralized Consensus Via Proof of Physical Work.

Decentralized consensus on the state of the Bitcoin blockchain is ensured by proof of work. It relies on digital one-way functions and is associated with an enormous environmental impact. This paper conceptualizes a physical one-way function that aims to transform a digital, electricity-consuming consensus mechanism into a physical process.

Tin-Chelated Trisphosphineoxide Scorpionate Rare-Earth Porphyrinate Complexes: Synthesis and Photophysical Properties.

A series of seven-coordinated monoporphyrinate rare-earth(III) complexes featuring a novel tripodal tin-chelated trisphosphineoxide scorpionate ligand with the general formula [(TPP)Ln(PPhO)Sn] (Ln = Y, La, Dy, Er, Ho, Yb; TPP = 5,10,15,20-tetraphenylporphyrinate) were synthesized by reactions of the potassium tripodal scorpionate ligand [Sn(PPhO)K] with porphyrinate rare-earth metal chlorides [(TPP)LnCl(dme)] (Ln = Y, Dy, Er, Ho, Yb) or porphyrinate lanthanum borohydride [(TPP)LaBH(thf)]. The complexes were characterized by single-crystal X-ray diffraction, NMR spectroscopy, and ion mobility mass spectrometry. All complexes emit weak red TPP-based fluorescence, accompanied by near-infrared emission of Er, Ho (rather weak), and Yb (relatively intense with a quantum yield of 1% in dichloromethane solution) of the corresponding complexes.

Cellular mechanisms of copper neurotoxicity in human, differentiated neurons.

Copper (Cu) is an essential trace element involved in fundamental physiological processes in the human body. Even slight disturbances in the physiological Cu homeostasis are associated with the manifestation of neurodegenerative diseases. While suggesting a crucial role of Cu in the pathogenesis, the exact mechanisms of Cu neurotoxicity involved in the onset and progression of neurological diseases are far from understood.

Low-Temperature Lithium Metal Batteries Achieved by Synergistically Enhanced Screening Li Desolvation Kinetics.

Lithium metal anode is desired by high capacity and low potential toward higher energy density than commercial graphite anode. However, the low-temperature Li metal batteries suffer from dendrite formation and dead Li resulting from uneven Li behaviors of flux with huge desolvation/diffusion barriers, thus leading to short lifespan and safety concern. Herein, differing from electrolyte engineering, a strategy of delocalizing electrons with generating rich active sites to regulate Li desolvation/diffusion behaviors are demonstrated via decorating polar chemical groups on porous metal-organic frameworks (MOFs).

Calcium Chemistry as A New Member of Post-Lithium Battery Family: What Can We Learn from Sodium and Magnesium Systems.

The development of next-generation battery technologies needs to consider their environmental impact throughout the whole cycle life, which has brought new chemistries based on earth-abundant elements into the spotlight. Rechargeable calcium batteries are such an emerging technology, which shows the potential to provide high cell voltage and high energy density close to lithium-ion batteries. Additionally, the use of Ca as a charge carrier renders significant sustainable values.

Spin-bearing molecules as optically addressable platforms for quantum technologies.

Efforts to harness quantum hardware relying on quantum mechanical principles have been steadily progressing. The search for novel material platforms that could spur the progress by providing new functionalities for solving the outstanding technological problems is however still active. Any physical property presenting two distinct energy states that can be found in a long-lived superposition state can serve as a quantum bit (qubit), the basic information processing unit in quantum technologies.

From data to insights: Upscaling riverine GHG fluxes in Germany with machine learning.

Global fluvial ecosystems are important sources of greenhouse gases (CO, CH and NO) to the atmosphere, but their estimates are plagued by uncertainties due to unaccounted spatio-temporal variabilities in the fluxes. In this study, we tested the potential of modeling these variabilities using several machine learning models (ML) and three different input datasets (remotely sensed vegetation indices, in-situ water quality, and a combination of both) from 20 headwater catchments in Germany that differ in catchment land use and stream size. We also upscaled fluvial GHG fluxes for Germany using the best ML model and explored the role of catchment land use on the GHG spatial-temporal trends.

Accuracy of digital jaw relation determination in different occlusal conditions - an in vitro study.

Objectives: In orthodontics, accurate registration of jaw relationships is essential for correct diagnosis and treatment planning. Therefore, accuracy of the digital spatial registration of maxillary and mandibular models and - for the first time-the influence of dentition stage and malocclusion type on this procedure were investigated under controlled conditions.

Materials And Methods: Eight pairs of jaw models, representing different occlusal and developmental statuses (m1-m8), were scanned using two IOS types (PS: Primescan; TR: Trios4).

Efficiency and process development for microbial biomass production using oxic bioelectrosynthesis.

Autotrophic microbial electrosynthesis (MES) processes are mainly based on organisms that rely on carbon dioxide (CO) as an electron acceptor and typically have low biomass yields. However, there are few data on the process and efficiencies of oxic MES (OMES). In this study, we used the knallgas bacterium Kyrpidia spormannii to investigate biomass formation and energy efficiency of cathode-dependent growth.