From Gas to Solution: The Changing Neutral Structure of Proline upon Solvation.

Liquid-jet photoelectron spectroscopy (LJ-PES) and electronic-structure theory were employed to investigate the chemical and structural properties of the amino acid l-proline in aqueous solution for its three ionized states (protonated, zwitterionic, and deprotonated). This is the first PES study of this amino acid in its biologically relevant environment. Proline's structure in the aqueous phase under neutral conditions is zwitterionic, distinctly different from the nonionic neutral form in the gas phase.

GeSe-embedded metal-oxide double heterojunctions for facilitating self-biased and efficient NIR photodetection.

Infrared radiation detection is significantly important in communication, imaging, and sensing fields. Here, we present the integration of germanium selenide (GeSe) with a metal-oxide heterojunction to achieve efficient near-infrared (850 nm) photodetection under zero bias conditions. Nickel oxide (NiO) and silicon (Si) formed a favorable energy band alignment for the efficient separation of photogenerated charge carriers, resulting in a high figure of merits.

Production of Ultrathin and High-Quality Nanosheet Networks via Layer-by-Layer Assembly at Liquid-Liquid Interfaces.

Solution-processable 2D materials are promising candidates for a range of printed electronics applications. Yet maximizing their potential requires solution-phase processing of nanosheets into high-quality networks with carrier mobility (μ) as close as possible to that of individual nanosheets (μ). In practice, the presence of internanosheet junctions generally limits electronic conduction, such that the ratio of junction resistance () to nanosheet resistance (), determines the network mobility via μ/μ ≈ / + 1.

Development of -(4-(1-Imidazol-1-yl)phenyl)-4-chlorobenzenesulfonamide, a Novel Potent Inhibitor of β-Catenin with Enhanced Antitumor Activity and Metabolic Stability.

The potential as a cancer therapeutic target of the recently reported hotspot binding region close to Lys508 of the β-catenin armadillo repeat domain was not exhaustively explored. In order to get more insight, we synthesized novel -(heterocyclylphenyl)benzenesulfonamides -. The new compounds significantly inhibited Wnt-dependent transcription as well as SW480 and HCT116 cancer cell proliferation.

Spatiotemporal transcriptomic map of glial cell response in a mouse model of acute brain ischemia.

The role of nonneuronal cells in the resolution of cerebral ischemia remains to be fully understood. To decode key molecular and cellular processes that occur after ischemia, we performed spatial and single-cell transcriptomic profiling of the male mouse brain during the first week of injury. Cortical gene expression was severely disrupted, defined by inflammation and cell death in the lesion core, and glial scar formation orchestrated by multiple cell types on the periphery.

CACHE Challenge #1: Targeting the WDR Domain of LRRK2, A Parkinson's Disease Associated Protein.

The CACHE challenges are a series of prospective benchmarking exercises to evaluate progress in the field of computational hit-finding. Here we report the results of the inaugural CACHE challenge in which 23 computational teams each selected up to 100 commercially available compounds that they predicted would bind to the WDR domain of the Parkinson's disease target LRRK2, a domain with no known ligand and only an apo structure in the PDB. The lack of known binding data and presumably low druggability of the target is a challenge to computational hit finding methods.

Cell surface morphology mimicking nano-bio platform for immune cell stimulation.

Studying the complex realm of cellular communication and interactions by fluorescence microscopy requires sample fixation on a transparent substrate. To activate T cells, which are pivotal in controlling the immune system, it is important to present the activating antigen in a spatial arrangement similar to the nature of the antigen-presenting cell, including the presence of ligands on microvilli. Similar arrangement is predicted for some other immune cells.

A Monte Carlo Approach for Simulating Electrical Conductivity in Highly Porous Ceramic Composites: Impact of Internal Structure.

Porous ceramic composites play an important role in several applications. This is due to their unique properties resulting from a combination of various materials. Determination of the composite properties and structure is crucial for their further development and optimization.

Complex monitoring of perfluoroalkyl substances (PFAS) from tap drinking water in the Czech Republic.

This study aims to quantify perfluoroalkyl substances (PFAS) in tap drinking water in the Czech Republic and to assess potential health risks to consumers using hazard ratios. A total of 192 samples (collected systematically throughout the country in 2021) were analysed for 28 PFAS using ultra-performance liquid chromatography with tandem mass spectrometry after solid phase extraction. Total PFAS (∑PFAS) concentrations ranged from undetectable to 23.

Double-Armed 18- and 21-Membered Macrocycles as Potential Chelators for Lead and Bismuth Radiopharmaceuticals.

With increasing clinical applications and interest in targeted alpha therapy, there is growing interest in developing alternative chelating agents for [Pb]Pb and [Bi]Bi that exhibit rapid radiolabeling kinetics and kinetic inertness. Herein we report the synthesis and detailed investigation of diacetate and dipicolinate 18- and 21-membered macrocyclic chelators BADA-18, BADA-21, BADPA-18, and BADPA-21 for the complexation of Pb and Bi ions with potential use in the preparation of radiopharmaceuticals. The formation of mononuclear complexes was established by using ESI-mass spectrometry, and their stability constants were determined by potentiometric titration.

Diverse prehistoric cattle husbandry strategies in the forests of Central Europe.

During the sixth millennium BCE, the first farmers of Central Europe rapidly expanded across a varied mosaic of forested environments. Such environments would have offered important sources of mineral-rich animal feed and shelter, prompting the question: to what extent did early farmers exploit forests to raise their herds? Here, to resolve this, we have assembled multi-regional datasets, comprising bulk and compound-specific stable isotope values from zooarchaeological remains and pottery, and conducted cross-correlation analyses within a palaeo-environmental framework. Our findings reveal a diversity of pasturing strategies for cattle employed by early farmers, with a notable emphasis on intensive utilization of forests for grazing and seasonal foddering in some regions.

Aqueous Supercapacitor with Wide-Temperature Operability and over 100,000 Cycles Enabled by Water-in-Salt Electrolyte.

Supercapacitors are crucial in renewable energy integration, satellite power systems, and rapid power delivery applications for mitigating voltage fluctuations and storing excess energy. Aqueous electrolytes offer a promising solution for low-cost and safe supercapacitors. However, they still face limitations in cycle life and wide-temperature range performance.

Selective Precipitation of REE-Rich Aluminum Phosphate with Low Lithium Losses from Lithium Enriched Slag Leachate.

Currently, recycling of spent lithium-ion batteries is carried out using mechanical, pyrometallurgical and hydrometallurgical methods and their combination. The aim of this article is to study a part of the pyro-hydrometallurgical processing of spent lithium-ion batteries which includes lithium slag hydrometallurgical treatment and refining of the obtained leachate. Leaching was realized via dry digestion, which is an effective method capable of transferring over 99% of the present metals, such as Li, Al, Co, Cu, and others, to the leachate.

Bacterial Degradation of Low-Density Polyethylene Preferentially Targets the Amorphous Regions of the Polymer.

Low-density polyethylene (LDPE) is among the most abundant synthetic plastics in the world, contributing significantly to the plastic waste accumulation problem. A variety of microorganisms, such as H16, LS46, and PA2361, can form biofilms on the surface of LDPE polymers and cause damage to the exterior structure. However, the damage is not extensive and complete degradation has not been achieved.

Computational Approach to Identifying New Chemical Entities as Elastase Inhibitors with Potential Antiaging Effects.

In the aging process, skin morphology might be affected by wrinkle formation due to the loss of elasticity and resilience of connective tissues linked to the cleavage of elastin by the enzymatic activity of elastase. Little information is available about the structural requirements to efficiently inhibit elastase 1 (EC 3.4.

BioMOF@cellulose Glycerogel Scaffold with Multifold Bioactivity: Perspective in Bone Tissue Repair.

The development of new biomaterials for musculoskeletal tissue repair is currently an important branch in biomedicine research. The approach presented here is centered around the development of a prototypic synthetic glycerogel scaffold for bone regeneration, which simultaneously features therapeutic activity. The main novelty of this work lies in the combination of an open meso and macroporous nanocrystalline cellulose (NCC)-based glycerogel with a fully biocompatible microporous bioMOF system (CaSyr-1) composed of calcium ions and syringic acid.

Factors Influencing Elderly Consumers' Preferences for Edible Gels: Insights from Slovakia.

As dietary needs shift with the growing and aging population, there is a demand for food products that meet nutritional, safety, and tribological requirements while being cost-effective. Seniors must be given significant consideration in new product development. This study examines consumer preferences for arabinogalactan (AG) and beta-glucan (BG) hydrogels with vanilla and coffee-biscuit flavors, using consumer tests ( = 80) and an online survey ( = 852).

Hydrogen Evolution Reaction Activity in MoTiCT MXene Derived from MoTiAlC MAX Phase: Insights from Compositional Transformations.

MAX phases represent a crucial building block for the synthesis of MXenes, which constitute an intriguing class of materials with significant application potential. This study investigates the catalytic properties of the MoTiAlC MAX phase and the corresponding MoTiCT MXene for the hydrogen evolution reaction (HER). Characterization by X-ray diffraction (XRD), scanning electron microscopy (SEM), energy-dispersive spectroscopy (EDS), and X-ray photoelectron spectroscopy (XPS) revealed that despite the presence of secondary phases, the HER catalytic activity is primarily influenced by the MAX phase and its derived MXene.

Construction of antithrombotic and antimicrobial ultra-thin structures on a polyethylene terephthalate implant the surface grafting of heparin brushes.

It remains a challenge to endow a polymeric material with antithrombotic ability by surface grafting without disturbing the bulk properties of the substrate. Heparin-based functional structures of less than 80 nm were fabricated and covalently grafted on a polyethylene terephthalate surface carbene chemistry (Hep-g-PET). Heparin was oxidized with the minimum antithrombrin sequence retained, creating an aldehyde group on the chain terminus.

Surpassing the Diffraction Limit in Label-Free Optical Microscopy.

Super-resolution optical microscopy has enhanced our ability to visualize biological structures on the nanoscale. Fluorescence-based techniques are today irreplaceable in exploring the structure and dynamics of biological matter with high specificity and resolution. However, the fluorescence labeling concept narrows the range of observed interactions and fundamentally limits the spatiotemporal resolution.