Elastic and exchanged atom-molecule collisions in 4He-4He-X (X = 40K, 85Rb, 133Cs) systems at low energy.

We investigate the low-energy collision properties of the 4He-4He-X (X = 40K, 85Rb, 133Cs) systems using the R-matrix propagation method within the hyperspherical coordinate framework. The atom-dimer scattering length and atom-molecule collisional exchange rates are derived by solving the three-body Schrödinger equation using a potential energy surface obtained by summing three realistic pairwise potentials. Our results show that the atom-molecule collision exchange rates in the 4He2 + X → 4HeX + 4He process are primarily governed by the 4HeX two-body scattering lengths.

Drug Screening for Glycolysis Pathway in Living Cancer Cells Using F NMR.

Glycolysis is a fundamental process for the generation of cellular energy, and its dysregulation has been linked to a number of diseases, including obesity, neurological disorders, and cancer. Targeting glycolysis is therefore a promising therapeutic strategy. However, effective drugs that specifically target glycolysis are still lacking.

Caspase-3-Responsive Dual-Enhanced H/F MRI Bimodal Probe for Tumor Apoptosis Imaging.

Caspase-3 (Cas-3) is a crucial cysteine protease involved in executing cell apoptosis, a process that is a hallmark of tumor cell apoptosis response to chemotherapy. Developing molecular imaging probes that specifically detect apoptotic signals during tumor treatment is considered to be one of the most important and effective strategies for reducing cancer-associated death rates and improving treatment outcomes. However, achieving a dual-enhanced bimodal probe in a single molecule remains a significant challenge.

Distinct infectivity and neutralization antibody responses in the highly homologous AAV Go.1 and AAV5.

Introduction: Goat-derived adeno-associated virus (AAV) vectors, such as AAV Go.1, represent a novel platform for gene therapy due to their unique origin and potential advantages in transduction efficiency and immune evasion. However, their therapeutic potential and biological properties remain underexplored.

Socioeconomic Status, Modifiable Factors, and Risk of Microvascular Complications in Individuals With Type 2 Diabetes: A Cohort Study From the UK Biobank.

Background: To investigate whether lower socioeconomic status (SES) was associated with an increased risk of diabetic microvascular complications and to analyze the potential mediating role of several modifiable factors.

Methods: The study included 11 309 patients with type 2 diabetes at baseline from the UK Biobank cohort. SES was grouped based on income, education, and employment status by using latent class analysis.

Variations of Aberrant Volume, Activity, and Network Connectivity of Hippocampus in Adolescent Male Rats Exposed to Juvenile Stress.

Background: Childhood is a crucial period for brain development, and short-term juvenile stress has demonstrated long-lasting effects on cognitive and cellular functions in the hippocampus. However, the influence of such stress on the brain's overall network remains unclear.

Methods: In this study, we employed functional magnetic resonance imaging (fMRI) to explore the effects of transient wild stress on juvenile male rats.

Surpassing stoichiometric limitation for supra-multi-molar adsorption and separation of acid gases.

Capture of acid gases holds crucial importance for addressing air pollution and climate change, where achieving a molar ratio for adsorption and separation of acid gases on an active site higher than 1.0 remains challenging. Herein, we demonstrate that three nitrogen-bonded one Zn sites within a single-crystalline-like porous carbon (Zn-N@SC-PC) derived from controlled carbonization of ZIF-8-C ≡ N with KCl, exhibit supra-multi-molar adsorption for CO, COS, and HS, even to 1:6 ratio for SO on the Zn-N.

Structure-guided engineering of a Rieske-type aromatic dioxygenase for enhanced consumption of 3-phenylpropionic acid in Escherichia coli.

Industrial derived aromatic hydrocarbons are persistent environmental pollutants due to their chemical stability, posing both ecological and health risks. Rieske-type aromatic dioxygenases (RDOs), known for their role in dihydroxylation of aromatic rings, play a pivotal role in microbial consumption and degradation of such compounds. While the industrial application of these enzymes has been impeded by their instability and low biodegradation rate.

Light-driven propane dehydrogenation by a single-atom catalyst under near-ambient conditions.

Propane dehydrogenation is an energy-intensive industrial reaction that requires high temperatures (550-750 °C) to overcome thermodynamic barriers. Here we overcome these limits and demonstrate that near-ambient propane dehydrogenation can be achieved through photo-thermo-catalysis in a water-vapour environment. We reduce the reaction temperature to 50-80 °C using a single-atom catalyst of copper supported on TiO and a continuous-flow fixed-bed reactor.

Simultaneous measurement of multiple fluorine labelling effect on GB1 stability by F NMR.

The incorporation of fluorinated amino acids into proteins through natural biosynthesis in E. coli often leads to the production of heterogeneous fluorinated proteins. The stabilities of proteins with different F labelling states can vary, but these differences are challenging to measure due to the difficulty in separating the fluorinated protein mixtures that differ by only a few F atoms.

A dynamic isotope effect in the nucleophilic substitution reaction between F and CDI.

The influence of quantum mechanics on the dynamics of chemical reactions is unknown for many processes in chemistry. Chemical reaction dynamics are often well described by quasiclassical motion of the atoms on quantum mechanical Born-Oppenheimer potential energy surfaces. Here we present a dynamic isotope effect in a nucleophilic substitution reaction experiment that can only be explained by quasiclassical trajectory simulations for reactants containing deuterium atoms, but not when hydrogen atoms are involved.

Structural insights into a highly flexible zinc finger module unravel INSM1 function in transcription regulation.

Orderly development of neuroendocrine and nervous system of mammals requires INSM1, a key regulator for cell differentiation. Ectopic expression of INSM1 is closely correlated with human neuroendocrine tumorigenesis, which makes INSM1 a reliable diagnostic biomarker and potential therapeutic target. To date, INSM1 is known as a transcription repressor binding to GGGG-contained DNA element and TEAD1 using its five zinc fingers (ZFs), while the binding mechanism remains unknown.

Comparative Analysis of the Chemical Constituents and Hypoglycemic Activities of Two Chinese Juhua Teas (Chrysanthemum morifolium Ramat. and Coreopsis tinctoria Nutt.).

Chrysanthemum morifolium Ramat. (CM) and Coreopsis tinctoria Nutt. (CT), known as "Juhua" in China, are frequently consumed as tea.

Hyperpolarized Xe diffusion-weighted MRI of the lung with 3D golden-angle radial sampling and keyhole reconstruction.

Background: Hyperpolarized (HP) Xe multiple b-values diffusion-weighted imaging (DWI) facilitates the assessment of pulmonary morphology. However, conventional DWI method, such as 2D GRE DWI, is limited in its application due to the long acquisition time and relatively thick slice.

Purpose: To develop a method combining 3D golden-angle radial sampling with keyhole reconstruction (GRSK) for accelerating Xe multiple b-values DWI and obtaining thinner slice.

Microenvironment perturbations driving methanol low-temperature conversion over zeolite.

Compared to methanol, dimethyl ether (DME) is a more ideal and attractive raw material for industrial applications. Typically, the industrially zeolite-catalyzed methanol dehydration to DME occurs at temperatures above 423 kelvin. Improving catalytic reactivity and reducing energy consumption are urgently needed but remain challenging.

Robust Heteronuclear Correlations for Sub-milligram Protein in Ultrafast Magic-Angle Spinning Solid-State NMR.

Proton-detected solid-state nuclear magnetic resonance (ssNMR) under ultrafast magic-angle spinning (MAS) has become a powerful tool for elucidating the structures of proteins with sub-milligram quantities, where establishing C-N correlations is essential. However, traditional C-N cross-polarization (CP), effective at lower MAS frequencies, suffers diminished efficiency under ultrafast MAS conditions. To overcome this limitation, we developed a robust method for selective polarization between insensitive nuclei (SPINE).

Mechanical Interlocking of 144 Symmetrical F and Tetraphenylethylene for Magnetic Resonance-Fluorescence Dual Imaging.

Single-molecule dual F magnetic resonance imaging (F MRI) and fluorescence imaging (FLI) agents are valuable tools in biomedical research. However, integrating millimolar-sensitivity F MRI and micromolar-sensitivity FLI into a single molecule remains challenging. Here, we report the use of mechanically interlocked [5]rotaxanes to efficiently incorporate 144 symmetrical fluorines (F) for sensitive F MRI and to control the motion of tetraphenylethylene (TPE) for responsive FLI at the molecular level, yielding a dual imaging agent with micromolar sensitivity.

Biocatalytic cascade reactions for management of diseases.

Biocatalytic cascade reactions, which evolve from the confinement of multiple enzymes within living cells, represent a promising strategy for disease management. Using tailor-made nanoplatforms, reactions induced by multiple enzymes and/or nanozymes can be precisely triggered at pathogenic sites. These promote further cascade reactions that generate therapeutic species prompting effective therapeutic outcomes with minimal side effects.

Structural basis for human NKCC1 inhibition by loop diuretic drugs.

Na-K-Cl cotransporters functions as an anion importers, regulating trans-epithelial chloride secretion, cell volume, and renal salt reabsorption. Loop diuretics, including furosemide, bumetanide, and torsemide, antagonize both NKCC1 and NKCC2, and are first-line medicines for the treatment of edema and hypertension. NKCC1 activation by the molecular crowding sensing WNK kinases is critical if cells are to combat shrinkage during hypertonic stress; however, how phosphorylation accelerates NKCC1 ion transport remains unclear.

Abnormal resting-state brain network dynamics in toddlers with autism spectrum disorder.

Emerging evidence suggests aberrant functional connectivity (FC) of brain networks in children, adolescents, and adults with autism spectrum disorder (ASD). However, little is known about alterations of dynamic FC in toddlers with ASD. The aim of this study was to investigate the characteristics of brain network dynamics in ASD toddlers.

Bridging animal models and humans: neuroimaging as intermediate phenotypes linking genetic or stress factors to anhedonia.

Background: Intermediate phenotypes, such as characteristic neuroimaging patterns, offer unique insights into the genetic and stress-related underpinnings of neuropsychiatric disorders like depression. This study aimed to identify neuroimaging intermediate phenotypes associated with depression, bridging etiological factors to behavioral manifestations and connecting insights from animal models to diverse clinical populations.

Methods: We analyzed datasets from both rodents and humans.

Atomic locations and adsorbate interactions of Al single and pair sites in H-ZSM-5 zeolite.

The distribution of substitutional aluminum (Al) atoms in zeolites affects molecular adsorbate geometry, catalytic activity, and shape and size selectivity. Accurately determining Al positions has been challenging. We used synchrotron resonant soft x-ray diffraction (RSXRD) at multiple energies near the Al K-edge combined with molecular adsorption techniques to precisely locate "single Al" and "Al pairs" in a commercial H-ZSM-5 zeolite.

Ultrasensitive Xe Magnetic Resonance Imaging: From Clinical Monitoring to Molecular Sensing.

Magnetic resonance imaging (MRI) is a cornerstone technology in clinical diagnostics and in vivo research, offering unparalleled visualization capabilities. Despite significant advancements in the past century, traditional H MRI still faces sensitivity limitations that hinder its further development. To overcome this challenge, hyperpolarization methods have been introduced, disrupting the thermal equilibrium of nuclear spins and leading to an increased proportion of hyperpolarized spins, thereby enhancing sensitivity by hundreds to tens of thousands of times.

Structure of Hydrothermally Stable Acid Sites and their Catalytic Role in P-Modified ZSM-5 Zeolite Revealed by Solid-State NMR Spectroscopy.

The ZSM-5 zeolite is the key active component in high-severity fluid catalytic cracking (FCC) catalysts and is routinely activated by phosphorus compounds in industrial production. To date, however, the detailed structure and function of the introduced phosphorus still remain ambiguous, which hampers the rational design of highly efficient catalysts. In this work, using advanced solid-state NMR techniques, we have quantitatively identified a total of seven types of P-containing complexes in P-modified ZSM-5 zeolite and clearly revealed their structure, location, and catalytic role.