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Iridium-Catalyzed Asymmetric Hydrogenation of Carbocation Precursors via Wagner–Meerwein Rearrangement

Molecular dynamics simulations of beta-2-glycoprotein 1 (β2GPI) reveal that post-translational modifications facilitate novel structures

Abstract Beta-2-Glycoprotein I (β2GPI) is the main autoantigenic target of antiphospholipid syndrome (APS). β2GPI can adopt a number of structures; an extended J-shape, an O-shape and a transitional S-shape. It has also been shown previously that β2GPI can undergo a number of different post-translational modifications, altering its function and structure. It is unclear how the post translational modifications (PTMs) alter the progression through structures and if this alters the function of β2GPI. To study this we have chosen to use molecular dynamics simulations, providing fine atomistic details on the transition between structures, which can then be compared to findings published in the literature for validation. This study aimed to identify the potential effects of PTMs on the structure of β2GPI in-silico. Molecular simulations were carried out under standard physiological conditions (pH 7.4, 155 mM ionic strength, 1 bar pressure) for four models of β2GPI. These were the wild type, plasmin clipped (with terminal 8 amino acids removed), deglycosylated (with all four glycans removed) and reduced (with the terminal disulfide bond removed between C288-C326). Three repeats of 100 ns were carried out for each model. Plasmin cleavage and reduction generated structures absent from the wild type (WT). Plasmin cleavage generated a more compact structure with altered movement in Domain I (residues 1 to 60), whilst reduction produced unique elongated structures. These corroborated already published findings. Interestingly no simulation showed β2GPI circularise in these physiological simulations suggesting closing may not be an energetically favourable process. Molecular simulations of β2GPI identified structures only available to specific post translationally modified variants, and failed to show re-circularisation. Molecular simulations of β2GPI identified structures only available to specific post translationally modified variants, and failed to show re-circularisation.

Precise discrimination of G-quadruplex conformation by chiral nanoassembly with photo-reversibility

Condensation Center Regulation in Donor–Acceptor Polymers Enables Dynamic Proton Reservoirs for Efficient H ₂ O ₂ Photosynthesis

A temporal keyword co-occurrence network mining framework for detecting structural transitions in cancer biomarker research (2006–2023)

A Palladium(IV) Amido Alkyl System Relevant to C(sp ³ )–N Bond Formation

Evaluating the compatibility, stability, and antimicrobial effectiveness of vancomycin and cefepime admixtures in peritoneal dialysis solutions

Plasma Electrocatalytic Oxidation of Methane to Methanol

Hydrophobic interaction chromatography resolves extracellular vesicle fractions with distinct lipidomic signatures

Abstract Current extracellular vesicle (EV) isolation workflows are dominated by size- and density-based approaches, which provide limited insight into surface chemical properties of vesicular particles. Here, we report a hydrophobic interaction chromatography (HIC) workflow for resolving EV fractions along differences in membrane interfacial hydrophobicity. Using a commercially available HIC column, reproducible fractionation of EV samples was achieved, yielding discrete fractions that differed in retention behaviour and lipid composition. Transmission electron microscopy (TEM) showed vesicle-like nanoparticles with EV-consistent morphology, indicating preservation of vesicle integrity during HIC. Lipidomic profiling by reversed-phase liquid chromatography coupled with quadrupole time-of-flight mass spectrometry (RP-LC-Q-TOF-MS) revealed fraction-specific differences in lipid composition. Importantly, we demonstrate the feasibility of direct injection of pre-cleaned biofluids onto the HIC column, enabling fractionation of nanoparticle populations containing EVs without prior ultracentrifugation. Furthermore, an operational interfacial hydrophobicity index derived from lipidomic data showed a clear correlation with HIC retention, providing an orthogonal compositional descriptor consistent with the proposed fractionation mechanism. Together, this hydrophobicity-based strategy introduces a previously unexplored physicochemical dimension to EV analysis, revealing chemically structured heterogeneity that is not accessible using conventional separation strategies. The workflow provides a practical framework for fractionating EVs in a manner directly relevant to lipidomic profiling and studies of EV membrane chemistry.

Programmable Single-Stranded DNA Layers as Modulators of Nanoscale pH at Electrocatalytic Interfaces

Grafted magnetite Fe3O4-VTES nanoparticles based on glycidyl methacrylate and dimethylamino ethyl methacrylate: synthesis, characterization, adsorption and release of amoxicillin

Development of an Imprint-and-Report Sensor Array for Detection and Differentiation of Perfluorooctanoic Acid Precursors

Spatio-temporal evolution analysis of land-use carbon effects driven by new quality productive forces: a case study of Hubei province

Abstract This study investigated the spatiotemporal evolution and coupling relationship of land use carbon effects driven by new quality productive forces (NQPF) in Hubei Province, China, using remote sensing data (2000–2020) and socioeconomic statistics (2005–2020). An NQPF evaluation system comprising 19 indicators across three dimensions was constructed using a combined weighting method integrating entropy, coefficient of variation, CRITIC, and principal component analysis. The Tapio decoupling model and Moran’s I spatial autocorrelation were employed to examine the NQPF-carbon emission relationship. Results indicated that: (1) Net carbon emissions increased from 4118.38 × 104 t to 19,867.15 × 104 t (382.4% growth), with construction land contributing 98.1% of total carbon sources by 2020. (2) The NQPF index rose from 0.152 to 0.860 (465.8% growth), with the “new objects of labor” dimension receiving the highest weight (0.5921), corroborating the green development-oriented nature of NQPF. (3) All three periods exhibited “weak decoupling,” with elasticity coefficients declining from 0.740 to 0.261, indicating strengthening carbon constraints. (4) No significant spatial clustering was detected (|Z|< 1.96); riverside cities (Wuhan, Xiangyang, Yichang) formed “isolated high-emission centers” accounting for 54.2% of provincial emissions. This study pioneers the integration of NQPF theory into land use carbon research, providing scientific basis for regional low-carbon transition in central China.

Breaking the Immiscibility Barrier: A Mechanochemical Approach to Enable the Direct Glycosylation of Native Sugars with Hydrophobic Aliphatic Alcohols

The Spatiotemporal Structure of Neural Activity in Motor Cortex during Reaching

Intracortical brain–computer interfaces (BCIs) leverage knowledge about neural representations to translate movement-related neural activity into actions. BCI implants have targeted broad cortical regions known to have relevant motor representations, but emerging technologies allow flexible targeting to specific neural populations. The structure of motor representations in neural populations across frontal motor cortices, which span centimeters, has not been well characterized. We investigate how motor representations and population dynamics (temporal coordination) vary across a large expanse of frontal motor cortices. We used high-density, laminar, microelectrode arrays to record many neurons, sampling neural populations across frontal motor cortex while two male monkeys performed a reaching task. Our experiments allowed us to map neuronal activity across three spatial dimensions and relate them to movement. Target decoding analysis revealed that target direction information (one key aspect of task information) was heterogeneously distributed across the cortical surface and in depth. Similarly, we found that the temporal dynamics of different neural populations was highly variable, but that the amount of task information predicted which neural populations had similar dynamics. The neural populations with the most similar dynamics were composed of neurons with high task information regardless of spatial location. Our results highlight the spatiotemporal complexity of motor representations across frontal motor cortex at the level of neurons and neural populations, where well-learned movements consistently recruit a spatially distributed subset of neurons. Further insights into the spatiotemporal structure of neural activity patterns across frontal motor cortex will be critical to guide future implants for improved BCI performance.

A residual-learning MMSE neural detector for 6G MIMO-OTFS systems under diverse channel conditions

Coordinative Guest Recognition Triggers Macroscale Deformation of Covalently Linked Metal–Organic Polyhedra Polymer Gels

Protein Inhibitor of Retinal Membrane Guanylyl Cyclase Rescues Mouse Rod Photoreceptors from <i>GUCY2D</i> Retinal Dystrophy

Mutations in the GUCY2D gene coding for retinal membrane guanylyl cyclase 1 (RetGC1, or GC-E) can deregulate cGMP synthesis in photoreceptors by guanylyl cyclase-activating proteins (GCAPs) via negative Ca 2+ feedback and elevate cGMP production in the dark, thus causing autosomal-dominant cone-rod dystrophy ( GUCY2D adCORD). We expressed an engineered p rotein i nhibitor of retinal g uanylyl cyclase (PIGCY) in transgenic mice of either sex harboring the GUCY2D adCORD RetGC1 mutant Arg838Ser ( R838S T g ) in order to suppress aberrant production of cGMP in their rods and prevent their fast degeneration. PIGCY did not return the abnormal Ca 2+ sensitivity of cGMP synthesis in PIGCY Tg R838S Tg retinas to the normal physiological range, but it reduced the overall rate of cGMP production. Decelerated cGMP production strongly suppressed degeneration of functional rods. By the age of 6 months, 70% of photoreceptor nuclei remained in PIGCY Tg R838S Tg versus 20% in R838S Tg . Retinal response to light detected by electroretinography was preserved in PIGCY Tg R838S Tg mice significantly better than that in R838S Tg . The remaining altered calcium feedback affected the shape of PIGCY Tg R838S Tg rod photoresponses, but overall light sensitivity was not drastically different from normal. Single photon response amplitude and time-to-peak in PIGCY Tg R838S Tg rods were increased and more variable, but were similar to wild type in fractional light sensitivity and half-saturating light intensity. Consistent with the still abnormal calcium feedback, desensitization under background light in PIGCY Tg R838S Tg rods was increased, and their noise was elevated under moderate background illumination as compared with wild type. In summary, PIGCY effectively rescued degenerating GUCY2D adCORD rods while maintaining their functional light sensitivity.

COVID-19 and suicide in Japan from March 2020 to February 2023

Abstract We estimate excess mortality due to suicides during the COVID-19 pandemic in Japan and the extent to which the increase in unemployment can explain it. Using a time-series model, as well as pre-COVID private-sector forecasts of the unemployment rate, we find that the COVID-19 crisis increased suicides in Japan by approximately 11,000 from March 2020 to February 2023. Furthermore, the increase in unemployment can account for less than 10 percent of this increase. We also find that the excess deaths due to suicides are skewed towards younger generations and females and that lost years of life expectancy associated with the excess deaths due to suicide are almost as large as those associated with COVID-19 deaths.

How Spin Conductive are Oligo(p-phenylenes) in Trityl-Based Biradicals