Activation of the Ga Cation for Bond Activation: from Oxidative Additions into C-Cl and H-P Bonds to Reversible Insertion into P.

Although the discovery of the Ga complex salt [Ga(PhF) ][Al(OR ) ] (R =C(CF ) , PhF=C H F) invoked the preparation of a diverse library of cationic Ga(I) coordination complexes and clusters, studies on small molecule activation with low-valent Ga cations are scarce. Herein, a first experimental study on the reactivity of a monomeric Ga(I) cation activated with a pyridine-diimine pincer ligand (in [Ga(PDI )][Al(OR ) ]) towards small-molecules is reported. First controlled oxidative additions of the Ga cation into C-Cl, H-P and P-P bonds are presented.

Detailed insights in adsorption process of heavy metals on tire wear particles.

Road traffic induced tire wear particles (TWP) attracted widespread attention due to their potential environmental impact. Here, the adsorption process of heavy metals like Pb and Cd on tire wear particles produced by filing (TWP-f) is studied to elucidate the underlying kinetics and thermodynamics. This work includes voltammetric experiments to investigate the concentration and temperature dependency of the adsorption.

Quantitative bioimaging of copper in frozen liver specimens from cats using laser ablation-inductively coupled plasma-mass spectrometry.

Objectives: The aim of this study was to assess laser ablation-inductively coupled plasma-mass spectrometry (LA-ICP-MS) as a tool for measuring concentrations and determining accumulation of copper in frozen liver specimens from cats.

Methods: Six frozen liver specimens were evaluated by qualitative copper staining and quantitative flame atomic absorption spectroscopy. Tissue specimens were cryo-sectioned and quantitative bioimaging of copper was performed using LA-ICP-MS.

Anions featuring an aluminium-silicon core with alumanyl silanide and aluminata-silene characteristics.

Molecular species containing multiple bonds to aluminium have long been challenging synthetic targets. Despite recent landmark discoveries in this area, heterodinuclear Al-E multiple bonds (where E is a group-14 element) have remained rare and limited to highly polarized π-interactions (Al=E ↔ Al-E). Here we report the isolation of three alumanyl silanide anions that feature an Al-Si core stabilized by bulky substituents and a Si-Na interaction.

Multi-action platinum(IV) prodrugs conjugated with COX-inhibiting NSAIDs.

In the last decades, inflammation has been recognized as being closely connected to cancer, and joint strategies encompassing chemotherapeutic and anti-inflammatory agents have been extensively studied. In this work, a series of novel cisplatin and oxaliplatin-based Pt(IV) complexes comprising non-steroidal anti-inflammatory drugs (NSAIDs) and their carboxyl ester analogues as axial moieties were synthesized. Several of the cisplatin-based Pt(IV) complexes 22-30 showed increased cytotoxicity in the human cancer cell lines CH1/PA-1, SW480 and A549 compared to the Pt(II) drug.

High-Resolution Nanoanalytical Insights into Particle Formation in SnO/ZnO Core/Shell Nanowire Lithium-Ion Battery Anodes.

Tin oxide (SnO)/zinc oxide (ZnO) core/shell nanowires as anode materials in lithium-ion batteries (LIBs) were investigated using a combination of classical electrochemical analysis and high-resolution electron microscopy to correlate structural changes and battery performance. The combination of the conversion materials SnO and ZnO is known to have higher storage capacities than the individual materials. We report the expected electrochemical signals of SnO and ZnO for SnO/ZnO core/shell nanowires as well as unexpected structural changes in the heterostructure after cycling.

Cell surface composition, released polysaccharides, and ionic strength mediate fast sedimentation in the cyanobacterium Synechococcus elongatus PCC 7942.

Cyanobacteria are photosynthetic prokaryotes of high ecological and biotechnological relevance that have been cultivated in laboratories around the world for more than 70 years. Prolonged laboratory culturing has led to multiple microevolutionary events and the appearance of a large number of 'domesticated' substrains among model cyanobacteria. Despite its widespread occurrence, strain domestication is still largely ignored.

Ulva: An emerging green seaweed model for systems biology.

Green seaweeds exhibit a wide range of morphologies and occupy various ecological niches, spanning from freshwater to marine and terrestrial habitats. These organisms, which predominantly belong to the class Ulvophyceae, showcase a remarkable instance of parallel evolution toward complex multicellularity and macroscopic thalli in the Viridiplantae lineage. Within the green seaweeds, several Ulva species ("sea lettuce") are model organisms for studying carbon assimilation, interactions with bacteria, life cycle progression, and morphogenesis.

Interlaboratory Reproducibility in Growth and Reporter Expression in the Cyanobacterium sp. PCC 6803.

In recent years, a plethora of new synthetic biology tools for use in cyanobacteria have been published; however, their reported characterizations often cannot be reproduced, greatly limiting the comparability of results and hindering their applicability. In this interlaboratory study, the reproducibility of a standard microbiological experiment for the cyanobacterial model organism sp. PCC 6803 was assessed.

Peptide CoA conjugates for in situ proteomics profiling of acetyltransferase activities.

The acetylation of protein N-termini is a co- or posttranslational modification that plays important roles in protein homeostasis and stability. N-terminal acetyltransferases (NATs) catalyze the introduction of this modification using acetyl-coenzyme A (acetyl-CoA) as source of the acetyl-group. NATs operate in complex with auxiliary proteins that impact activity and specificity of these enzymes.

Photochemically Mediated Toluene Oxidation through a Copper Complex.

A method is described to photochemically oxidize toluene selectively to benzaldehyde, an essential compound in the chemical industry. Copper(I) complexes with different ligands were applied in combination with [Ru(bipy) ](PF ) and dioxygen as the oxidant. As a result, a "dioxygen adduct" copper complex, for example, a peroxido complex, is formed as the active species.

Recent developments in the production and utilization of photosynthetic microorganisms for food applications.

The growing use of photosynthetic microorganisms for food and food-related applications is driving related biotechnology research forward. Increasing consumer acceptance, high sustainability, demand of eco-friendly sources for food, and considerable global economic concern are among the main factors to enhance the focus on the novel foods. In the cases of not toxic strains, photosynthetic microorganisms not only provide a source of sustainable nutrients but are also potentially healthy.

Isolation, (bio)synthetic studies and evaluation of antimicrobial properties of drimenol-type sesquiterpenes of Termitomyces fungi.

Macrotermitinae termites have farmed fungi in the genus Termitomyces as a food source for millions of years. However, the biochemical mechanisms orchestrating this mutualistic relationship are largely unknown. To deduce fungal signals and ecological patterns that relate to the stability of this symbiosis, we explored the volatile organic compound (VOC) repertoire of Termitomyces from Macrotermes natalensis colonies.

Additive Manufacturing of CoFe Nano-Probes for Magnetic Force Microscopy.

Magnetic force microscopy (MFM) is a powerful extension of atomic force microscopy (AFM), which mostly uses nano-probes with functional coatings for studying magnetic surface features. Although well established, additional layers inherently increase apex radii, which reduce lateral resolution and also contain the risk of delamination, rendering such nano-probes doubtful or even useless. To overcome these limitations, we now introduce the additive direct-write fabrication of magnetic nano-cones via focused electron beam-induced deposition (FEBID) using an HCoFe(CO) precursor.

Achieving Control over the Reduction/Coupling Dichotomy of N by Boron Metallomimetics.

We report a detailed computational and experimental study of the fixation and reductive coupling of dinitrogen with low-valent boron compounds. Consistent with our mechanistic findings, the selectivity toward nitrogen fixation or coupling can be controlled through either steric bulk or the reaction conditions, allowing for the on-demand synthesis of nitrogen chains. The electronic structure and intriguing magnetic properties of intermediates and products of the reaction of dinitrogen with borylenes are also elucidated using high-level computational approaches.

Addressing chemical pollution in biodiversity research.

Climate change, biodiversity loss, and chemical pollution are planetary-scale emergencies requiring urgent mitigation actions. As these "triple crises" are deeply interlinked, they need to be tackled in an integrative manner. However, while climate change and biodiversity are often studied together, chemical pollution as a global change factor contributing to worldwide biodiversity loss has received much less attention in biodiversity research so far.

MAW: the reproducible Metabolome Annotation Workflow for untargeted tandem mass spectrometry.

Mapping the chemical space of compounds to chemical structures remains a challenge in metabolomics. Despite the advancements in untargeted liquid chromatography-mass spectrometry (LC-MS) to achieve a high-throughput profile of metabolites from complex biological resources, only a small fraction of these metabolites can be annotated with confidence. Many novel computational methods and tools have been developed to enable chemical structure annotation to known and unknown compounds such as in silico generated spectra and molecular networking.

Electrical and Structural Properties of SiGe Nanowires Prepared from a Single-Source Precursor.

SiGe nanowires (NWs) were prepared by gold-supported chemical vapor deposition (CVD) using a single-source precursor with preformed Si-Ge bonds. Besides the tamed reactivity of the precursor, the approach reduces the process parameters associated with the control of decomposition characteristics and the dosing of individual precursors. The group IV alloy NWs are single crystalline with a constant diameter along their axis.

Open data and algorithms for open science in AI-driven molecular informatics.

Recent years have seen a sharp increase in the development of deep learning and artificial intelligence-based molecular informatics. There has been a growing interest in applying deep learning to several subfields, including the digital transformation of synthetic chemistry, extraction of chemical information from the scientific literature, and AI in natural product-based drug discovery. The application of AI to molecular informatics is still constrained by the fact that most of the data used for training and testing deep learning models are not available as FAIR and open data.

Sherlock-A Free and Open-Source System for the Computer-Assisted Structure Elucidation of Organic Compounds from NMR Data.

The structure elucidation of small organic molecules (<1500 Dalton) through 1D and 2D nuclear magnetic resonance (NMR) data analysis is a potentially challenging, combinatorial problem. This publication presents Sherlock, a free and open-source Computer-Assisted Structure Elucidation (CASE) software where the user controls the chain of elementary operations through a versatile graphical user interface, including spectral peak picking, addition of automatically or user-defined structure constraints, structure generation, ranking and display of the solutions. A set of forty-five compounds was selected in order to illustrate the new possibilities offered to organic chemists by Sherlock for improving the reliability and traceability of structure elucidation results.

Group IV heteroadamantanes: synthesis of SiSn and site-selective derivatization of SiGe.

The mixed heteroadamantanes SiGe and SiSn are readily accessible from MeECl/SiCl/cat. Cl (4 × EMe, 2 × SiCl, 4 × Si-SiCl vertices; E = Ge, Sn). Different from SiGe, two skeletal isomers are formed in the case of SiSn.

Lipidomic and Metallomic Alteration of after Acute and Chronic Manganese, Iron, and Zinc Exposure with a Link to Neurodegenerative Disorders.

Parkinson's disease (PD) progresses with the loss of dopaminergic neurons in the substantia nigra pars compacta region of the brain. The superior mechanisms and the cause of this specific localized neurodegeneration is currently unknown. However, experimental evidence indicates a link between PD progression and reactive oxygen species with imbalanced metal homeostasis.

MORTAR: a rich client application for in silico molecule fragmentation.

Developing and implementing computational algorithms for the extraction of specific substructures from molecular graphs (in silico molecule fragmentation) is an iterative process. It involves repeated sequences of implementing a rule set, applying it to relevant structural data, checking the results, and adjusting the rules. This requires a computational workflow with data import, fragmentation algorithm integration, and result visualisation.

Automated GMP Production and Preclinical Evaluation of [Ga]Ga-TEoS-DAZA and [Ga]Ga-TMoS-DAZA.

[Ga]Ga-TEoS-DAZA and [Ga]Ga-TMoS-DAZA are two novel radiotracers suitable for functional PET liver imaging. Due to their specific liver uptake and biliary excretion, the tracers may be applied for segmental liver function quantification, gall tree imaging and the differential diagnosis of liver nodules. The purpose of this study was to investigate problems that occurred initially during the development of the GMP compliant synthesis procedure and to evaluate the tracers in a preclinical model.

Dope it with germanium: selective access to functionalized SiGe heterocycles.

The Cl diadduct [BuN][A·2Cl] of the mixed cyclohexatetrelane (SiCl)(GeMe), A, is accessible from MeGeCl, 6 eq. SiCl, and 2 eq. [BuN]Cl in one step (96%).