BINA

Understanding the physical underpinnings and geometry of molecular clusters is of great importance in many fields, ranging from studying the beginning of the universe to the formation of atmospheric particles. To this end, several approaches have been suggested, yet identifying the most stable cluster geometry (i.e., global potential energy minimum) remains a challenge, especially for highly symmetric clusters. Here, we suggest a new funneled Monte Carlo-based simulated annealing (SA) approach, which includes two key steps: generation of symmetrical clusters and classification of the clusters according to their geometry using machine learning (MCSA-ML). We demonstrate the merits of the MCSA-ML method in comparison to other approaches on several Lennard-Jones (LJ) clusters and four molecular clusters─Ser8(Cl–)2, H+(H2O)6, Ag+(CO2)8, and Bet4Cl–. For the latter of these clusters, the correct …

How does the quantum-to-classical transition of measurement occur? This question is vital for both foundations and applications of quantum mechanics. Here, we develop a new measurement-based framework for characterizing the classical and quantum free electron–photon interactions and then experimentally test it. We first analyze the transition from projective to weak measurement in generic light–matter interactions and show that any classical electron-laser-beam interaction can be represented as an outcome of weak measurement. In particular, the appearance of classical point-particle acceleration is an example of an amplified weak value resulting from weak measurement. A universal factor, \documentclass[12pt]{minimal} \usepackage{amsmath} \usepackage{wasysym} \usepackage{amsfonts} \usepackage{amssymb} \usepackage{amsbsy} \usepackage{mathrsfs} \usepackage{upgreek …

Copper chalcogenides are materials characterized by intrinsic doping properties, allowing them to display high carrier concentrations due to their defect‐heavy structures, independent of the preparation method. Such high doping enables these materials to display plasmonic resonances, tunable by varying their stoichiometry. Here, plasmonic dynamics is studied in drop‐cast Cu9S5 (digenite) nanocrystals (NCs) film using ultrafast pump–probe spectroscopy. The NCs are synthesized by thermal annealing of copper foil using chemical vapor deposition (CVD), followed by sonication and drop‐casting of the isolated few‐layered flakes on different substrates. The samples display a broad localized surface plasmon resonance (LSPR) in the near‐infrared (NIR), peaking at 2100 nm. The free carrier response is further confirmed by fitting the linear absorption with a Drude–Lorentz effective medium approximation model …

Forward Brillouin scattering through torsional radial modes is studied in bare and coated fibers in liquids. Tensor characteristics distinguish between two mode types. Shear dominated modes are significantly less affected by liquids outside the fiber.

The study of first passage times for diffusing particles reaching target states is foundational in various practical applications, including diffusion-controlled reactions. In this work, we present a bi-scaling theory for the probability density function of first passage times in confined compact processes, applicable to both Euclidean and Fractal domains, diverse geometries, and scenarios with or without external force fields, accommodating Markovian and semi-Markovian random walks. In large systems, first passage time statistics exhibit a bi-scaling behavior, challenging the use of a single time scale. Our theory employs two distinct scaling functions: one for short times, capturing initial dynamics in unbounded systems, and the other for long times is sensitive to finite size effects. The combined framework provides a complete expression for first passage time statistics across all time scales.

Under ultrasonication, cuprous oxide (Cu2O) microparticles (<5 µm) were fragmented into nanoparticles (NPs, ranging from 10 to 30 nm in diameter), and interacted strongly with alkali lignin (Mw= 10 kDa) to form a nanocomposite. The ultrasonic wave generates strong binding interaction between lignin and Cu2O. The L-Cu nanocomposite exhibited synergistic effects with enhanced antibiofilm activities against E. coli, multidrug-resistant (MDR) E. coli, S. aureus (SA), methicillin-resistant SA, and P. aeruginosa (PA). The lignin-Cu2O (L-Cu) nanocomposite also imparted notable eradication of such bacterial biofilms. Experimental evidence unraveled the destruction of bacterial cell walls by L-Cu, which interacted strongly with the bacterial membrane. After exposure to L-Cu, the bacterial cells lost the integrated structural morphology. The estimated MIC for biofilm inhibition for the five tested pathogens was 1 mg/mL L …

In article 2300101, Julian Schütt, Hariharan Nhalil, Jürgen Fassbender, Lior Klein, Asaf Grosz, and Denys Makarov propose a new concept of multiparametric coding in droplet-based fluidics relying on different sensing units and targeted tailoring of the fluidic circuit and its complexification. The possibility to prepare up to 3 million unique codes is demonstrated experimentally, which is relevant for pharmaceutical and biotechnological assays including drug discovery.

Trypanosomes are protozoan parasites that cycle between insect and mammalian hosts and are the causative agent of sleeping sickness. Here, we describe the changes of pseudouridine (Ψ) modification on rRNA in the two life stages of the parasite using four different genome-wide approaches. CRISPR-Cas9 knock-outs of all four snoRNAs guiding Ψ on helix 69 (H69) of the large rRNA subunit were lethal. A single knock-out of a snoRNA guiding Ψ530 on H69 altered the composition of the 80S monosome. These changes specifically affected the translation of only a subset of proteins. This study correlates a single site Ψ modification with changes in ribosomal protein stoichiometry, supported by a high-resolution cryo-EM structure. We propose that alteration in rRNA modifications could generate ribosomes preferentially translating state-beneficial proteins.

Under alkaline treatment, zirconyl chloride (ZrOCl2.8H2O) became a zirconia gel and formed a stable complex with beta-cyclodextrin (βCD). This complex was highly active in reactive oxygen species (ROS) formation via H2O2 decomposition. Its surface with numerous hydroxyl groups acts as an ionic sponge to capture the charged reaction intermediates, including superoxide (O2–•) and the hydroxyl radical (•OH). ROS, especially •OH radicals, are harmful to living microorganisms because of their kinetic instability, high oxidation potential, and chemical nonselectivity. Therefore, •OH radicals can engage in fast reactions with virtually any adjacent biomolecule. With H2O2, the complex with cationic and hydrophobic moieties interacted with the anionic bacterial membrane of two Gram-positive (Staphylococcus aureus and S. epidermidis) and two Gram-negative (Escherichia coli and Klebsiella pneumoniae) strains …

The development of renewable energy sources will help alleviate the twin problems of energy appetite and environmental pollution. Among such renewable sources, biofuels standout. Biodiesel is at the top of the list of biofuels that have the potential to substitute conventional fossil-based transportation fuels. The reprint comprises 11 chapters in total dealing with a variety of feedstock needed for the sustainable production of biodiesel, various catalysts that could be used for the accelerated production of biodiesel, and advances in reactor technology for the demand-based production of biodiesel. Indebtedness is due to various research groups, namely: Fahad Rehman and co-workers from Pakistan, Qatar, and the UK; Tao Lyu and co-workers from the UK, China, and Germany; Sandro L. Barbosa and co-workers from Brazil and the USA; Anita Salic and co-workers from Croatia; Fabrizio Roncaglia and co-workers …

The emergence of magnetic polymer composites has had a transformative impact on the field of soft robotics. This overview will examine the various methods by which innovative materials can be synthesized and utilized. The advancement of soft robotic systems has been significantly enhanced by the utilization of magnetic polymer composites, which amalgamate the pliability of polymers with the reactivity of magnetic materials. This study extensively examines the production methodologies involved in dispersing magnetic particles within polymer matrices and controlling their spatial distribution. The objective is to gain insights into the strategies required to attain the desired mechanical and magnetic properties. Additionally, this study delves into the potential applications of these composites in the field of soft robotics, encompassing various devices such as soft actuators, grippers, and wearable gadgets. The study emphasizes the transformative capabilities of magnetic polymer composites, which offer a novel framework for the advancement of biocompatible, versatile soft robotic systems that utilize magnetic actuation.

We generalize the scope of Floquet engineering to include spatially-dependent modulations of an optical system. As an application, we show that we can transform large classes of Hamiltonians into one another by driving them in a time-periodic but spatially non-uniform manner. We propose several experimental realizations in 1D optical lattices, including freeing disordered lattices from Anderson localization, as well as effectively disconnecting all their sites. These techniques straightforwardly extend to more complex classes of systems.

The introduction of the water‐in‐salt (WIS) electrolytes concept to prevent water splitting and widen the electrochemical stability window, has spurred extensive research efforts toward development of improved aqueous batteries. The successful implementation of these electrolyte solutions in many electrochemical systems shifts the focus from diluted to WIS electrolyte solutions. Considering the high costs and the tendency of these nearly saturated solutions to crystallize, this trend can be carefully re‐evaluated. Herein we show that the stability of organic electrodes comprising the active material perylene‐3,4,9,10‐tetracarboxylic dianhydride (PTCDA), is strongly influenced by the solvation character of the anions rather than the concentration of the electrolyte solution. Even though the charging process of PTCDA involves solely insertion of cations (i.e., principal counter‐ions), surprisingly, the dominant factor …

A key conundrum of biomolecular electronics is efficient electron transport (ETp) through solid-state junctions up to 10 nm, often without temperature activation. Such behavior challenges known charge transport mechanisms, especially via nonconjugated molecules such as proteins. Single-step, coherent quantum-mechanical tunneling proposed for ETp across small protein, 2–3 nm wide junctions, but it is problematic for larger proteins. Here we exploit the ability of bacteriorhodopsin (bR), a well-studied, 4–5 nm long membrane protein, to assemble into well-defined single and multiple bilayers, from ∼9 to 60 nm thick, to investigate ETp limits as a function of junction width. To ensure sufficient signal/noise, we use large area (∼10–3 cm2) Au–protein–Si junctions. Photoemission spectra indicate a wide energy separation between electrode Fermi and the nearest protein-energy levels, as expected for a polymer of …

A key conundrum of biomolecular electronics is efficient electron transport (ETp) through solid-state junctions up to 10 nm, often without temperature activation. Such behavior challenges known charge transport mechanisms, especially via nonconjugated molecules such as proteins. Single-step, coherent quantum-mechanical tunneling proposed for ETp across small protein, 2–3 nm wide junctions, but it is problematic for larger proteins. Here we exploit the ability of bacteriorhodopsin (bR), a well-studied, 4–5 nm long membrane protein, to assemble into well-defined single and multiple bilayers, from ∼9 to 60 nm thick, to investigate ETp limits as a function of junction width. To ensure sufficient signal/noise, we use large area (∼10–3 cm2) Au–protein–Si junctions. Photoemission spectra indicate a wide energy separation between electrode Fermi and the nearest protein-energy levels, as expected for a polymer of …

BackgroundParkinson’s disease (PD) is associated with dysbiosis, proinflammatory gut microbiome, disruptions to intestinal barrier functions, and immunological imbalance. Microbiota-produced short-chain fatty acids promote gut barrier integrity and immune regulation, but their impact on PD pathology remains mostly unknown.ObjectivesTo evaluate supplementation with short-chain fatty acids as an add-on intervention in PD.MethodsIn a randomized double-blind prospective study, 72 PD patients received short-chain fatty acids and/or the prebiotic fiber 2′-fucosyllactose supplementation over 6 months.ResultsWe observed improvement in motor and nonmotor symptoms, in addition to modulation of peripheral immunity and improved mitochondrial respiration in immunocytes. The supplementation had no effect on microbiome diversity or composition. Finally, multiobjective analysis and comprehensive immunophenotyping revealed parameters associated with an optimal response to short-chain fatty acids and/or 2′-fucosyllactose supplementation.ConclusionShort-chain fatty acids ameliorate clinical symptoms in Parkinson’s disease patients and modulate mitochondrial function and peripheral immunity.

The current endeavor of publishing a reprint on the astounding field of research on carbon dots has its roots in the launch of the Special Issue entitled" Catalytic methods for the synthesis of carbon nanodots and their applications”. Ever since this Special Issue was launched on 29th August 2022, it has attracted great attention from researchers worldwide. Grateful thanks are due to Dr. Nimala Kumar Jangid and coworkers from India; Dr. Syed Hadi Hasan and coworkers from India; Dr. Lerato L Mokoloko and coworkers from South Africa; Dr. Siti Kastom Kamarudin and coworkers from Malaysia; Dr. Selvaraj Roomani and coworkers from India; Dr. Ahmad Umar and coworkers from India, Saudi Arabia and USA; Dr. Ramon Moreno-Tost and coworkers from Spain; Dr. Jae Hong Kim and coworkers from South Korea and Japan; Dr. Yong RokLee and coworkers from India, South Korea and UAE; and Dr. Joydeep Das from …

How does the quantum-to-classical transition of measurement occur? This question is vital for both foundations and applications of quantum mechanics. Here, we develop a new measurement-based framework for characterizing the classical and quantum free electron–photon interactions and then experimentally test it. We first analyze the transition from projective to weak measurement in generic light–matter interactions and show that any classical electron-laser-beam interaction can be represented as an outcome of weak measurement. In particular, the appearance of classical point-particle acceleration is an example of an amplified weak value resulting from weak measurement. A universal factor, \documentclass[12pt]{minimal} \usepackage{amsmath} \usepackage{wasysym} \usepackage{amsfonts} \usepackage{amssymb} \usepackage{amsbsy} \usepackage{mathrsfs} \usepackage{upgreek …

The study of first passage times for diffusing particles reaching target states is foundational in various practical applications, including diffusion-controlled reactions. In this work, we present a bi-scaling theory for the probability density function of first passage times in confined compact processes, applicable to both Euclidean and Fractal domains, diverse geometries, and scenarios with or without external force fields, accommodating Markovian and semi-Markovian random walks. In large systems, first passage time statistics exhibit a bi-scaling behavior, challenging the use of a single time scale. Our theory employs two distinct scaling functions: one for short times, capturing initial dynamics in unbounded systems, and the other for long times is sensitive to finite size effects. The combined framework provides a complete expression for first passage time statistics across all time scales.

Periodic driving and Floquet engineering have emerged as invaluable tools for controlling and uncovering novel phenomena in quantum systems. In this study, we adopt these methods to manipulate nonequilibrium processes within electronic-vibronic open quantum systems. Through resonance mechanisms and by focusing on the limit-cycle dynamics and quantum thermodynamic properties, we illustrate the intricate interplay between the driving field and vibronic states and its overall influence on the electronic system. Specifically, we observe an effective decoupling of the electronic system from the periodic driving at specific frequencies, a phenomenon that is mediated by the vibrational mode interaction. Additionally, we engineer the driving field to obtain a partial removal of the Franck-Condon blockade. These insights hold promise for efficient charge current control. Our results are obtained from numerically …

[en] X-ray fluorescence phantom spectrometry (XRF-GI) has recently been demonstrated as a laboratory source. It has the potential to reduce acquisition time and the radiation dose delivered by choosing a compromise on spatial resolution, while alleviating the constraints of focusing the sounder beam. We demonstrate here a practical application of XRF-GI on a synchrotron. This makes it possible to study previously inaccessible samples, such as liquids, and to develop new strategies for improving their resistance to mechanical breakdown, at all scales