Robustness of machine learning predictions for Fe-Co-Ni alloys prepared by various synthesis methods.

Developing high-performance alloys is essential for applications in advanced electromagnetic energy conversion devices. In this study, we assess Fe-Co-Ni alloy compositions identified in our previous work through a machine learning (ML) framework, which used both multi-property ML models and multi-objective Bayesian optimization to design compositions with predicted high values of saturation magnetization, Curie temperature, and Vickers hardness. Experimental validation was conducted on two promising compositions synthesized using three different methods: arc melting, ball milling followed by spark plasma sintering (SPS), and chemical synthesis followed by SPS.

How resistant is anammox biofilm against antibiotics: A special insight into anammox response towards fluoroquinolones.

Elevated concentrations of pharmaceutically active compounds (PhACs) in the water bodies are posing a serious threat to the aquatic microbiota and other organisms. In this context, anaerobic ammonium oxidizing (anammox) bacteria carry a great potential to degrade PhACs through their innate metabolic pathways. This study investigates the influence of short-term exposure to lower and higher concentrations (0.

Navigating the nano-world future: Harnessing cellulose nanocrystals from green sources for sustainable innovation.

Cellulose nanocrystals (CNCs) are a class of materials that have received significant attention in recent years due to their unique properties and potential applications. CNCs are extracted from plant fibers and possess high strength, stiffness, and biocompatibility, making them attractive materials for use in various fields such as biomedical engineering, renewable energy, and nanotechnology. This provides an in-depth discussion of the extraction, characterization, and promising applications of CNCs.

Copper catalyzed selective methane oxidation to acetic acid using O.

The direct transformation of methane into C oxygenates such as acetic acid selectively using molecular oxygen (O) is a significant challenge due to the chemical inertness of methane, the difficulty of methane C-H bond activation/C-C bond coupling and the thermodynamically favored over-oxidation. In this study, we have successfully developed a porous aluminium metal-organic framework (MOF)-supported single-site mono-copper(ii) hydroxyl catalyst [MIL-53(Al)-Cu(OH)], which is efficient in directly oxidizing methane to acetic acid in water at 175 °C with a remarkable selectivity using only O. This heterogeneous catalyst achieved an exceptional acetic acid productivity of 11 796 mmol mol h in 9.

Towards cell-adhesive, 4D printable PCL networks through dynamic covalent chemistry.

In recent years, the development of biodegradable, cell-adhesive polymeric implants and minimally invasive surgery has significantly advanced healthcare. These materials exhibit multifunctional properties like self-healing, shape-memory, and cell adhesion, which can be achieved through novel chemical approaches. Engineering of such materials and their scalability using a classical polymer network without complex chemical synthesis and modification has been a great challenge, which potentially can be resolved using biobased dynamic covalent chemistry (DCC).

Coupling-Induced Dynamic Off-Centering of Cu Drives High Thermoelectric Performance in TlCuS.

Seeking new and efficient thermoelectric materials requires a detailed comprehension of chemical bonding and structure in solids at microscopic levels, which dictates their intriguing physical and chemical properties. Herein, we investigate the influence of local structural distortion on the thermoelectric properties of TlCuS, a layered metal sulfide featuring edge-shared Cu-S tetrahedra within CuS layers. While powder X-ray diffraction suggests average crystallographic symmetry with no distortion in CuS tetrahedra, the synchrotron X-ray pair distribution function experiment exposes concealed local symmetry breaking, with dynamic off-centering distortions of the CuS tetrahedra.

Structurally programmable, functionally tuneable dendrimers in biomedical applications.

The application of nanotechnology in medical biology has seen a significant rise in recent years because of the introduction of novel tools that include supramolecular systems, complexes, and composites. Dendrimers are one of the remarkable examples of such tools. These spherical, regularly branching structures with enhanced cell compatibility and bioavailability have shown to be an excellent option for gene or drug administration.

2-Amidophenolate and 2-Iminosemiquinone Radical-Coordinated Vanadyl Complex as Catholyte for Non-Aqueous Redox-Flow Batteries.

Fulfilment of energy demand by utilizing renewable energy sources that do not contribute to the production of greenhouse gases is a step forward in mitigating global warming. However, with the energy sources being intermittent in nature, renewable energy needs to be stored effectively on a grid scale. In this context, the development of redox-flow batteries has emerged as a promising technology where charging and discharging processes are accomplished by the redox shuttling of the electrolytes, namely anolytes and catholytes.

Role of polymer graft stiffness in electrostatic-driven self-assembly of nanoparticles in solutions.

Self-assembly of nanoparticles (NPs) in solution has garnered tremendous attention among researchers because of their electrical, chemical, and optoelectronic properties at the macroscale with potential applications in bio-imaging, bio-medicine, and therapeutics. Control of size, shape, and composition at the nanoscale is important in tuning the material's bulk properties. The grafting of NPs with polymers enables us to tune such bulk material properties at the nano level by controlling their assemblies, especially in solutions.

Higher concentration of trehalose dihydrate stabilizes recombinant IgG1 under forced stress conditions.

Stability of complex biotherapeutics like monoclonal antibodies is paramount for their safe and efficacious use. Excipients are inactive ingredients that are added to the purified product so as to offer it a stable environment. Trehalose dihydrate is a non-reducing sugar that is commonly used as a stabilizing agent in biotherapeutic formulations under liquid and frozen states.

Interface dependent electron shunting in graphene-integrated intimately coupled photocatalytic biodegradation.

Intimately coupled photocatalytic biodegradation (ICPB) has been recently developed as an efficient wastewater treatment technique, particularly for removing persistent organic pollutants. However, photocatalyst/biofilm interaction in terms of photoelectron transfer and its effect on the overall performance of ICPB has not been explored. To investigate these points, interface-engineered composites of bismuth vanadate and reduced graphene oxide with low degree (BiVO/rGO-LC) and high degree of their contact (BiVO/rGO-HC) were fabricated and applied for ICPB.

A Multifaceted Luminescent Europium(III) Probe for the Discrimination of Nucleoside Phosphates and Detection of Organophosphate Nerve Agents.

The nucleotides play multiple fundamental roles that are essential in biochemical enzymatic reactions and signaling pathways. Many diseases are closely associated with their dysregulation. Therefore, reliable and sensitive optical probes to discriminate various nucleotides are essential in biochemistry, drug discovery, and disease diagnosis.

COX-2 Inhibitor Prediction With KNIME: A Codeless Automated Machine Learning-Based Virtual Screening Workflow.

Cyclooxygenase-2 (COX-2) is an enzyme that plays a crucial role in inflammation by converting arachidonic acid into prostaglandins. The overexpression of enzyme is associated with conditions such as cancer, arthritis, and Alzheimer's disease (AD), where it contributes to neuroinflammation. In silico virtual screening is pivotal in early-stage drug discovery; however, the absence of coding or machine learning expertise can impede the development of reliable computational models capable of accurately predicting inhibitor compounds based on their chemical structure.

Two-Dimensional Transition Metal Dichalcogenide: Synthesis, Characterization, and Application in Candlelight OLED.

Low-color-temperature candlelight organic light-emitting diodes (OLEDs) offer a healthier lighting alternative by minimizing blue light exposure, which is known to disrupt circadian rhythms, suppress melatonin, and potentially harm the retina with prolonged use. In this study, we explore the integration of transition metal dichalcogenides (TMDs), specifically molybdenum disulfide (MoS) and tungsten disulfide (WS), into the hole injection layers (HILs) of OLEDs to enhance their performance. The TMDs, which are known for their superior carrier mobility, optical properties, and 2D layered structure, were doped at levels of 0%, 5%, 10%, and 15% in PEDOT:PSS-based HILs.

Voices of Nanomedicine: Blueprint Guidelines for Collaboration in Addressing Global Unmet Medical Needs.

The "" under this Perspective underline the importance of interdisciplinary collaboration and partnerships across several disciplines, such as medical science and technology, medicine, bioengineering, and computational approaches, in bridging the gap between research, manufacturing, and clinical applications. Effective communication is key to bridging team gaps, enhancing trust, and resolving conflicts, thereby fostering teamwork and individual growth toward shared goals. Drawing from the success of the COVID-19 vaccine development, we advocate the application of similar collaborative models in other complex health areas such as nanomedicine and biomedical engineering.

Skin-Integrated Electrogenetic Regulation of Vasculature for Accelerated Wound Healing.

Neo-vascularization plays a key role in achieving long-term viability of engineered cells contained in medical implants used in precision medicine. Moreover, strategies to promote neo-vascularization around medical implants may also be useful to promote the healing of deep wounds. In this context, a biocompatible, electroconductive borophene-poly(ε-caprolactone) (PCL) 3D platform is developed, which is called VOLT, to support designer cells engineered with a direct-current (DC) voltage-controlled gene circuit that drives secretion of vascular endothelial growth factor A (VEGFA).

Theoretical Understanding of Photoluminescence and Singlet Oxygen Quantum Yields in a Few Halogenated Fluorescein Dyes.

Visible-light absorbing metal-free organic dyes are of increasing demand for various optoelectronic applications because of their great structure-function tunability through chemical means. Several dyes also show huge potential in triplet photosensitization, generating reactive singlet oxygen. Understanding the structure-property relationships of many well-known fluorescein dyes is of paramount importance in designing next-generation energy efficient dyes, which is currently limited.

Large enhancement of ferroelectric properties of perovskite oxides via nitrogen incorporation.

Perovskite oxides have a wide variety of physical properties that make them promising candidates for versatile technological applications including nonvolatile memory and logic devices. Chemical tuning of those properties has been achieved, to the greatest extent, by cation-site substitution, while anion substitution is much less explored due to the difficulty in synthesizing high-quality, mixed-anion compounds. Here, nitrogen-incorporated BaTiO thin films have been synthesized by reactive pulsed-laser deposition in a nitrogen growth atmosphere.

Excited-State Carrier Dynamics in Semiconducting Heterostructures from Self-Sorted NIR Active Dyes.

Heterostructures comprise two or more different semiconducting materials stacked either as co-assemblies or self-sorted based on their dynamics of aggregates. However, self-sorting in heterostructures is rather significant in improving the short exciton diffusion length and charge separation. Despite small organic molecules being known for their self-sorting nature, macrocyclic are hitherto unknown owing to unrestrained assemblies from extended π-conjugated systems.

Exploration of the cytotoxic and microtubule disruption potential of novel imidazo[1,5-]pyridine-based chalcones.

In continuation of our efforts to develop new anticancer compounds, a new series of imidazo[1,5-]pyridine-chalcone derivatives was designed, synthesized, characterized, and evaluated for its cytotoxicity against five human cancer cell lines, , breast (MDA-MB-231), colon (RKO), bone (Mg-63), prostate (PC-3), and liver (HepG2) cell lines, as well as a normal cell line (HEK). Among the synthesized compounds, two exhibited promising cytotoxicity against the MDA-MB-231 cell line with IC values of 4.23 ± 0.

Influence of Ni on carbon nanotube production with Fe-based catalysts.

This study investigates the role of Ni in CNT production using Fe-based catalysts. Among the various catalysts used, such as 40Fe-0Ni, 40Fe-1Ni, 40Fe-3Ni, 40Fe-5Ni, 40Fe-7Ni, and 40Fe-10Ni, the 40Fe-5Ni catalyst achieved a notable yield of 5.80 gC per g metal, which is higher than the 1.

Influence of Asymmetrical Ligand Substitution on the Formation, Stability, and Reactivity of Ruthenium(III)-Hypochlorite Complexes.

Hypohalites are commonly generated in biological systems, mostly with functions related to defense and immune system response. These hypohalites can bind to metal centers and are known for their strong oxidizing properties that play crucial roles in various biological processes. Herein, we report the synthesis, characterization and reactivity of novel biomimetic Ru(III)-hypochlorite complexes and focus the work on the electronic effects associated with the incorporation of methyl groups in a pentadentate ligand framework in an asymmetric fashion.

Pyrene functionalized organic cation receptor-based "turn-on" fluorescence approach for monitoring of chlorpyrifos in food, soil, and water samples.

Background: The unregulated use of pesticides by farmers, for crop productivity results in widespread contamination of organophosphates in real environmental samples, which is a growing societal concern about their potential health effects. The conventional approaches for the monitoring these organophosphate-based pesticides which include immunoassays, electrochemical methods, immunosensors, various chromatography techniques, along with some spectroscopic methods, are either costly, sophisticated, or involves the use of different metal complexes. Therefore, there is an urgent need for sensitive, quick, and easy-to-use detection techniques for the screening of widely used organophosphate-based pesticides.

Unraveling the potential contribution of DHHC2 in cancer biology via untargeted metabolomics.

DHHC-mediated protein-S-palmitoylation is recognized as a distinct and reversible lipid modification, playing a pivotal role in the progression and prevention of multiple diseases, including cancer and neurodegenerative disorders. Over the past decade, growing evidence indicated the crucial role of DHHC2 in preventing tumorigenesis by palmitoylation of various protein substrates. However, a comprehensive understanding of the specific impact of DHHC2 on cancer cell metabolic regulation remains unclear.

Design, synthesis, and biological evaluation of novel thiourea derivatives as small molecule inhibitors for prostate specific membrane antigen.

Prostate cancer (PCa) has emerged to be the second leading cause of cancer-related deaths in men. Molecular imaging of PCa using targeted radiopharmaceuticals specifically to PCa cells promises accurate staging of primary disease, detection of localized and metastasized tumours, and helps predict the progression of the disease. Glutamate urea heterodimers have been popularly used as high-affinity small molecules in the binding pockets of popular and well-characterized PCa biomarker, prostate specific membrane antigen (PSMA).