High Levels of Microplastics in the Arctic Sea Ice Alga , a Vector to Ice-Associated and Benthic Food Webs.

Plastic pollution has become ubiquitous with very high quantities detected even in ecosystems as remote as Arctic sea ice and deep-sea sediments. Ice algae growing underneath sea ice are released upon melting and can form fast-sinking aggregates. In this pilot study, we sampled and analyzed the ice algaeand ambient sea water from three locations in the Fram Strait to assess their microplastic content and potential as a temporary sink and pathway to the deep seafloor.

Zeeman spectroscopy and crystal-field analysis of low symmetry centres in Nddoped YSiO.

We report on infrared to visible Zeeman absorption spectroscopy and parameterised crystal-field modelling of Ndcentres in YSiOthrough the use of experimentally inferred crystal-field energy levels and Zeeman directional electronicvalues. We demonstrate that good agreement between the calculated and experimental crystal-field energy levels as well as directional Zeemanvalues along all three crystallographic axes can be obtained. Further, we demonstrate that the addition of correlation crystal field effects successfully account for discrepancies that arise between the calculated and experimental values relevant to theH11/2(2) multiplet in a one-electron crystal field model.

Multiconfigurational Calculations and Photodynamics Describe Norbornadiene Photochemistry.

Storing solar energy is a vital component of using renewable energy sources to meet the growing demands of the global energy economy. Molecular solar thermal (MOST) energy storage is a promising means to store solar energy with on-demand energy release. The light-induced isomerization reaction of norbornadiene () to quadricyclane () is of great interest because of the generally high energy storage density (0.

Multimodal intrinsic speckle-tracking (MIST) to extract images of rapidly-varying diffuse X-ray dark-field.

Speckle-based phase-contrast X-ray imaging (SB-PCXI) can reconstruct high-resolution images of weakly-attenuating materials that would otherwise be indistinguishable in conventional attenuation-based X-ray imaging. The experimental setup of SB-PCXI requires only a sufficiently coherent X-ray source and spatially random mask, positioned between the source and detector. The technique can extract sample information at length scales smaller than the imaging system's spatial resolution; this enables multimodal signal reconstruction.

The contribution of phonons to the thermal expansion of some simple cubic hexaboride structures: SmB, CaB, SrB and BaB.

We have performed first-principles calculations of the structure and lattice dynamics in the metal hexaborides SmB, CaB, SrB and BaB using Density Functional Theory in an attempt to understand the negative thermal expansion in the first of these materials. The focus is on the role of Rigid Unit Modes involving rotations of the B octahedra similar to the rotations of structural polyhedra connected by bonds in Zn(CN), Prussian Blue and Si(NCN). However, it was found that there is very low flexibility of the network of connected B octahedra, and the lattice dynamics do not support negative thermal expansion except possibly at very low temperature.

Real-time insight into the multistage mechanism of nanoparticle exsolution from a perovskite host surface.

In exsolution, nanoparticles form by emerging from oxide hosts by application of redox driving forces, leading to transformative advances in stability, activity, and efficiency over deposition techniques, and resulting in a wide range of new opportunities for catalytic, energy and net-zero-related technologies. However, the mechanism of exsolved nanoparticle nucleation and perovskite structural evolution, has, to date, remained unclear. Herein, we shed light on this elusive process by following in real time Ir nanoparticle emergence from a SrTiO host oxide lattice, using in situ high-resolution electron microscopy in combination with computational simulations and machine learning analytics.

The rigid unit mode model: review of ideas and applications.

We review a set of ideas concerning the flexibility of network materials, broadly defined as structures in which atoms form small polyhedral units that are connected at corners. One clear example is represented by the family of silica polymorphs, with structures composed of corner-linked SiOtetrahedra. The rigid unit mode (RUM) is defined as any normal mode in which the structural polyhedra can translate and/or rotate without distortion, and since forces associated with changing the size and shape of the polyhedra are much stronger than those associated with rotations of two polyhedra around a shared vertex, the RUMs might be expected to have low frequencies compared to all other phonon modes.

Simple, accurate, adjustable-parameter-free prediction of NMR shifts for molecules in solution.

Accurate prediction of NMR shifts is invaluable for interpreting and assigning NMR spectra, especially for complex applications such as determining the identity of unknown substances or resolving stereochemical assignments. Statistical linear regression models have proven effective for accurately correlating density functional theory predictions of chemical shieldings with experimentally-measured shifts, but lack transferability - they must be reparameterised using a reasonably extensive training set at each level of theory and for each choice of NMR solvent. We have previously introduced a novel two-point "shift-and-scale" correction procedure for gas phase shieldings that overcomes these limitations without significant loss of accuracy.

Unique features of the structural phase transition in acetylene showing simultaneous characteristics of reconstructive, displacive and order-disorder.

We have studied the two phases of the molecular crystal acetylene, CH, using calculations of the lattice dynamics by Density Functional Theory methods. together with the use of classical molecular dynamics (MD) simulation methods. The two phases share the same simple face-centred cubic lattice arrangement of the molecular centres of mass, but with different molecular orientations.

Dynamics in the ordered and disordered phases of barocaloric adamantane.

High-entropy order-disorder phase transitions can be used for efficient and eco-friendly barocaloric solid-state cooling. Here the barocaloric effect is reported in an archetypal plastic crystal, adamantane. Adamantane has a colossal isothermally reversible entropy change of 106 J K kg.

Selective Anomeric Acetylation of Unprotected Sugars with Acetic Anhydride in Water.

Unprotected sugars are selectively acetylated simply by stirring in aqueous solution in the presence of acetic anhydride and a weak base such as sodium carbonate. The reaction is selective for acetylation of the anomeric hydroxyl group of mannose, 2-acetamido, and 2-deoxy sugars and can be performed on a large scale. Competitive intramolecular migration of the 1--acetate to the 2-hydroxyl group when these two substituents are causes over-reaction and the formation of product mixtures.

Microplastic accumulation in endorheic river basins - The example of the Okavango Panhandle (Botswana).

The Okavango Panhandle is the main influent watercourse of the Okavango Delta, an inland sink of the entire sediment load of the Cubango-Okavango River Basin (CORB). The sources of pollution in the CORB, and other endorheic basins, are largely understudied when compared to exorheic systems and the world's oceans. We present the first study of the distribution of microplastic (MP) pollution in surface sediments of the Okavango Panhandle in Northern Botswana.

Ejecta from the DART-produced active asteroid Dimorphos.

Some active asteroids have been proposed to be formed as a result of impact events. Because active asteroids are generally discovered by chance only after their tails have fully formed, the process of how impact ejecta evolve into a tail has, to our knowledge, not been directly observed. The Double Asteroid Redirection Test (DART) mission of NASA, in addition to having successfully changed the orbital period of Dimorphos, demonstrated the activation process of an asteroid resulting from an impact under precisely known conditions.

Quantum Dot-Sensitised Estrogen Receptor-α-Based Biosensor for 17β-Estradiol.

17β-estradiol (E2) is an important natural female hormone that is also classified as an estrogenic endocrine-disrupting compound (e-EDC). It is, however, known to cause more damaging health effects compared to other e-EDCs. Environmental water systems are commonly contaminated with E2 that originates from domestic effluents.

Modeling Excited States of Molecular Organic Aggregates for Optoelectronics.

Light-driven phenomena in organic molecular aggregates underpin several mechanisms relevant to optoelectronic applications. Modeling these processes is essential for aiding the design of new materials and optimizing optoelectronic devices. In this review, we cover the use of different atomistic models, excited-state dynamics, and transport approaches for understanding light-activated phenomena in molecular aggregates, including radiative and nonradiative decay pathways.

Toxicity Effects of Perfluorooctanoic Acid (PFOA) and Perfluorooctane Sulfonate (PFOS) on Two Green Microalgae Species.

Amongst per- and polyfluoroalkyl substances (PFAS) compounds, perfluorooctanoic acid (PFOA) and perfluorooctane sulfonate (PFOS) have a high persistence in physicochemical and biological degradation; therefore, the accumulation of PFOS and PFOA can negatively affect aquatic organisms and human health. In this study, two microalgae species ( and ) were exposed to different concentrations of a PFOS and PFOA mixture (0 to 10 mg L). With increases in the contact time (days) and the PFAS concentration (mg L) from 1 to 7, and 0.

Physiological and biochemical responses of the estuarine pulmonate mud snail, Amphibola crenata, sub-chronically exposed to waterborne cadmium.

Physiological and biochemical responses of the pulmonate mud snail, Amphibola crenata, to waterborne cadmium (Cd) were investigated to determine the mechanisms of toxicity and impacts of a 21-d Cd exposure. Mud snails were exposed to nominal Cd concentrations of 0, 0.2, 4 and 8 mg L   and bioaccumulation, whole animal physiological (oxygen consumption, ammonia excretion and oxygen:nitrogen), and tissue level biochemical (catalase activity, lipid peroxidation, glycogen, glucose and protein) endpoints were measured every 7 days.

A "grappling hook" interaction connects self-assembly and chaperone activity of Nucleophosmin 1.

How the self-assembly of partially disordered proteins generates functional compartments in the cytoplasm and particularly in the nucleus is poorly understood. Nucleophosmin 1 (NPM1) is an abundant nucleolar protein that forms large oligomers and undergoes liquid-liquid phase separation by binding RNA or ribosomal proteins. It provides the scaffold for ribosome assembly but also prevents protein aggregation as part of the cellular stress response.

Envisioning a sustainable future for space launches: a review of current research and policy.

The global space industry is growing rapidly, with an increasing number of annual rocket launches. Gases and particulates are emitted by rockets directly into the middle and upper atmosphere, where the protective ozone layer resides. These emissions have been shown to damage ozone - highlighting the need for proper management of the upper atmosphere environment.

Trace Element Uptake by Willows Used for the Phytoremediation of Biosolids.

The land application of biosolids can result in the unacceptable accumulation of Trace Elements (TEs) in agricultural soil and potentially introduce xenobiotics and pathogens into the food chain. Phytoremediation of biosolids aims to minimize this risk, while producing valuable biomass. Willows, well known to accumulate zinc (Zn), are used extensively in farming systems for soil conservation, shelter and as feed supplements with demonstrable health benefits.

Acid-Base Chemistry Provides a Simple and Cost-Effective Route to New Redox-Active Ionic Liquids.

Redox-active ionic liquids (RAILs) hold great promise as high density electrochemical energy storage materials, but are hampered by high costs and low bulk conductivities. In this work, we introduce and electrochemically characterise novel redox-active protic ionic liquids (RAPILs) formed by acid-base neutralisation from cheap and plentiful starting materials. We also demonstrate a novel RAIL-in-IL solvent system for electrochemical characterisation of RAPILs, which enables efficient and cost-effective determination of redox potentials and screening for electrochemical reversibility.

Allosteric inhibition of MenD by 1,4-dihydroxy naphthoic acid: a feedback inhibition mechanism of the menaquinone biosynthesis pathway.

Menaquinones (MKs) are electron carriers in bacterial respiratory chains. In (), MKs are essential for aerobic and anaerobic respiration. As MKs are redox-active, their biosynthesis likely requires tight regulation to prevent disruption of cellular redox balance.

Single-Atom Iridium on Hematite Photoanodes for Solar Water Splitting: Catalyst or Spectator?

Single-atom catalysts (SACs) on hematite photoanodes are efficient cocatalysts to boost photoelectrochemical performance. They feature high atom utilization, remarkable activity, and distinct active sites. However, the specific role of SACs on hematite photoanodes is not fully understood yet: Do SACs behave as a catalytic site or as a spectator? By combining spectroscopic experiments and computer simulations, we demonstrate that single-atom iridium (sIr) catalysts on hematite (α-FeO/sIr) photoanodes act as a true catalyst by trapping holes from hematite and providing active sites for the water oxidation reaction.