Forschungszentrum Jülich

Biomass Burning in Australia: No Evidence for Carbonyl Sulfide (OCS) Enhancement in Fire Plumes From In‐Situ Measurements During SouthTRAC

Abstract Determining the atmospheric abundance and the emission sources of carbonyl sulfide (OCS) plays a crucial role for the sulfur budget in the atmosphere. In addition to its main anthropogenic and biogenic sources, biomass burning is assumed to be an essential, but not well...

Tracking crop evapotranspiration and water stress across seasons using multi-sensor UAV observations

Abstract. Field-scale estimation of evapotranspiration (ET) using high-resolution data supports water conservation and yield optimization by enabling localized water use monitoring and early detection of crop stress. This study applies the Priestley–Taylor Two-Source Energy Balan...

Coordination-Controlled Stability of Pd Single-Atom Catalysts under Electrochemical Conditions

Abstract Single-atom catalysts (SACs) maximize atom utilization and site-specificity for diverse chemical and electrochemical transformations. While activity and selectivity have been optimized through advanced synthetic methods, the electrochemical stability of SACs remains insu...

Mapping the Molecular Universe

Abstract The success of large-language-models highlighted the importance of datasets, whose quantity, quality, and diversity dictate the accuracy and creativity of artificial intelligence (AI) systems in learning and inferring. However, in scientific domains, such datasets requir...

The enhanced capabilities of mid-infrared limb emission sounding to observe stratospheric aerosol injection geoengineering

Abstract. Using a model-based pseudo-reality (PR) future scenario and realistic pseudo-observations (POs) representative for a proposed satellite mission concept (CAIRT – the Changing-Atmosphere Infra-Red Tomography explorer), we analyse the capabilities of a high-spectral-resolu...

Optically Active Single Hole Spin in ZnSe

Abstract Semiconductor hole spins offer a pathway to extended coherence times by decoupling from nuclear magnetic noise, while their spin–orbit coupling enables fast all-electrical control. In ZnSe, however, realizing this potential has been limited by p-doping challenges. Here,...

Object groups mutually bias each other’s perceived average size, as evidenced by neural and behavioural data

Abstract The human visual system simultaneously computes summary statistics of object features, such as average size, across groups of objects. Evidence suggests that summary statistics across groups of objects (ensembles) are not independent but influence one another. We investi...

Simulation‐Guided Tracer Optimization for Magnetic Particle Spectroscopy: Interplay of Core, Shell and Anisotropy Across Physiological‐Range Viscosities for Single‐ and Dual‐Frequency Excitation

ABSTRACT Detection of magnetic nanoparticles (MNP) relies on their nonlinear magnetic response, changing with the local environment in vivo. Employing an effective viscosity model within stochastic coupled Néel–Brownian simulations, we quantify how viscosity (0.8–50 000 mPa·s) af...

A versatile Bacillus esterase reveals a carboxylesterase blueprint for PET intermediate degradation

Abstract The biodegradation of polyethylene terephthalate (PET), and its derived intermediate breakdown products, represents a core focus of multidisciplinary research. While Ideonella sakaiensis PETase (IsPETase) and leaf-compost cutinase (LCC) efficiently depolymerize PET, many...

Using multi-trait polygenic scores to predict lithium responsiveness in patients with bipolar disorder

Background The predictive power of polygenic scores (PGSs) for lithium treatment response in bipolar disorder remains limited. Aims To enhance the prediction of lithium responsiveness by developing a multi-trait PGS (mt-PGS) combining genetic information from multiple phenotypes...

Flexibility of the TRMT10C N-Terminal Domain Helix Explored by Molecular Dynamics Simulations

Abstract The human mitochondrial tRNA methyltransferase TRMT10C contains a 41-residue long positively charged α-helix in its N-terminal domain, interacting with tRNAs from the anticodon to the T-loops. Here, we investigated the flexibility of this N-terminal long α-helix using co...

Irreversible Silver Migration in Single CsPbBr3 Perovskite Nanowire Devices

Abstract Silver (Ag) has gained interest as an electrode material for metal halide perovskites due to its high electrical conductivity, low cost, and simple deposition. The electromigration and interface redox-process of Ag has been exploited for electronic applications such as m...

Gut microbiome features in methamphetamine use disorder: external validation of a candidate marker panel and exploratory multi-omics associations

Abstract Methamphetamine use disorder (MUD) is a chronic, relapsing disorder with symptoms most pronounced during withdrawal, yet objective biomarkers remain lacking. Although gut microbial alterations have been reported in substance use disorders, their potential as candidate ma...

de.KCD: Competence Center Cloud-Technologies for Data Management and Processing

de.KCD addresses challenges of digital transformation by bundling expertise in a cross-location and cross-domain contact point for cloud computing and data management, building upon the network, hardware capacities and services of the de.NBI Cloud. A key focus of de.KCD is the di...

Neuropsychobiological transdiagnostic risk mechanisms for aggression in mental disorders across the life span

Abstract Background Aggression in mental disorders (AMD) is a prevalent symptom, poses difficulties to the clinical setting and has far-reaching societal implications. The biological basis of different manifestations, developmental courses, and disease-specific mechanisms remains...

Probing and Graph Coloring Techniques for Trace Estimation in Lattice QCD

ABSTRACT The computation of , where is the Wilson–Dirac matrix of Lattice QCD, is a fundamental and computationally demanding task with applications to disconnected hadronic correlation functions. Since is a dense matrix of prohibitive size, its trace cannot be computed exactly,...

Performance of the spin qubit shuttling architecture for a surface code implementation

Qubit shuttling promises to advance some quantum computing platforms to the qubit register sizes needed for effective quantum error correction (QEC), but also introduces additional errors whose impact must be evaluated. The established method to investigate the performance of QEC...

Constraints on the Loss of Hydroperoxymethyl Thioformate (HPMTF) to Marine Clouds Using Aircraft Observations

Abstract The photochemical oxidation of dimethyl sulfide (DMS) by the hydroxyl radical (OH) contributes to the production and growth of particles and cloud condensation nuclei in the marine boundary layer (MBL). DMS oxidized by OH can go on to form a stable intermediate, hydroper...

A Co II/III oxo-carboxylate cluster featuring a Lindqvist core

Abstract A nonanuclear mixed-valent coordination cluster, isolated as [CoIII3CoII6(µ6-O)(piv)7(thmp)4(MeCN)2(H2O)]·4(MeCN) (1), forms in a one-pot reaction of cobalt(II) pivalate and 1,1,1-tris(hydroxymethyl)propane (H3thmp) in acetonitrile solution. Single-crystal X-ray diffract...

The Host‐Guest Assemblies of Metal–Organic Frameworks and Protic Ionic Liquids With ZIF‐8 and [Dema][TfO] – Structural Response and Ionic Conductivity

ABSTRACT The synergy between ionic liquids (ILs) and metal–organic frameworks (MOFs) has attracted considerable attention because of future applications as a tailor‐made hybrid ionic conductor. The incorporation of ILs into MOFs cages has led to the development of a novel type of...