Enhancing the Properties of Photo-Generated Metallized Nanocomposite Coatings through Thermal Annealing.

In this work, the effect of thermal annealing on silver nanoparticles@polymer (AgNPs@polymer) nanocomposite coatings was investigated. These photo-generated metallized coatings have a spatial distribution of metal nanoparticles, with a depth-wise decrease in their concentration. During annealing, both structural and morphological variations, as well as a spatial reorganization of AgNPs, were observed, both at the surface and in the core of the AgNPs@polymer coating.

Characterization of an Omnitrap-Orbitrap Platform Equipped with Infrared Multiphoton Dissociation, Ultraviolet Photodissociation, and Electron Capture Dissociation for the Analysis of Peptides and Proteins.

We describe an instrument configuration based on the Orbitrap Exploris 480 mass spectrometer that has been coupled to an Omnitrap platform. The Omnitrap possesses three distinct ion-activation regions that can be used to perform resonant-based collision-induced dissociation, several forms of electron-associated fragmentation, and ultraviolet photodissociation. Each section can also be combined with infrared multiphoton dissociation.

glycan sequencing by electronic excitation dissociation MS-guided MS analysis on an Omnitrap-Orbitrap hybrid instrument.

Comprehensive glycan sequencing remains an elusive goal due to the structural diversity and complexity of glycans. Present strategies employing collision-induced dissociation (CID) and higher energy collisional dissociation (HCD)-based multi-stage tandem mass spectrometry (MS) or MS/MS combined with sequential exoglycosidase digestions are inherently low-throughput and difficult to automate. Compared to CID and HCD, electron transfer dissociation (ETD) and electron capture dissociation (ECD) each generate more cross-ring cleavages informative about linkage positions, but electronic excitation dissociation (EED) exceeds the information content of all other methods and is also applicable to analysis of singly charged precursors.

An Orbitrap/Time-of-Flight Mass Spectrometer for Photofragment Ion Imaging and High-Resolution Mass Analysis of Native Macromolecular Assemblies.

We discuss the design, development, and evaluation of an Orbitrap/time-of-flight (TOF) mass spectrometry (MS)-based instrument with integrated UV photodissociation (UVPD) and time/mass-to-charge ratio (/)-resolved imaging for the comprehensive study of the higher-order molecular structure of macromolecular assemblies (MMAs). A bespoke TOF analyzer has been coupled to the higher-energy collisional dissociation cell of an ultrahigh mass range hybrid quadrupole-Orbitrap MS. A 193 nm excimer laser was employed to photofragment MMA ions.

Chemically aware unitary coupled cluster with ab initio calculations on an ion trap quantum computer: A refrigerant chemicals' application.

Circuit depth reduction is of critical importance for quantum chemistry simulations on current and near term quantum computers. This issue is tackled by introducing a chemically aware strategy for the unitary coupled cluster ansatz. The objective is to use the chemical description of a system to aid in the synthesis of a quantum circuit.

Coherent diffractive imaging of proteins and viral capsids: simulating MS SPIDOC.

MS SPIDOC is a novel sample delivery system designed for single (isolated) particle imaging at X-ray Free-Electron Lasers that is adaptable towards most large-scale facility beamlines. Biological samples can range from small proteins to MDa particles. Following nano-electrospray ionization, ionic samples can be m/z-filtered and structurally separated before being oriented at the interaction zone.

High-throughput determination of dry mass of single bacterial cells by ultrathin membrane resonators.

How bacteria are able to maintain their size remains an open question. Techniques that can measure the biomass (dry mass) of single cells with high precision and high-throughput are demanded to elucidate this question. Here, we present a technological approach that combines the transport, guiding and focusing of individual bacteria from solution to the surface of an ultrathin silicon nitride membrane resonator in vacuum.

Reaction of Cl Atom with -CF and -CHF: Relative and Absolute Measurements of Rate Coefficients and Identification of Degradation Products.

Partially and fully fluorinated olefins are a class of compounds with relatively short atmospheric lifetimes and low 100-year global warming potentials, compared to their saturated predecessors, which are used or considered as refrigerants, propellants, solvents, and other end-uses. The cyclic unsaturated compounds -CF and -CHF are currently under consideration as etching agents for the semiconductor industry. In this study, we expand on our previous work on the reaction of the OH radical with -CF and -CHF and report the rate coefficients, , for the gas-phase reaction of the Cl atom with -CF and -CHF over a range of temperature (245-367 K) and pressure (100-200 Torr of He or N and 0 to 4.

The Omnitrap Platform: A Versatile Segmented Linear Ion Trap for Multidimensional Multiple-Stage Tandem Mass Spectrometry.

Multidimensional multiple-stage tandem processing of ions is demonstrated successfully in a novel segmented linear ion trap. The enhanced performance is enabled by incorporating the entire range of ion activation methods into a single platform in a highly dynamic fashion. The ion activation network comprises external injection of reagent ions, radical neutral species, photons, electrons, and collisions with neutrals.

Advances in Flexible Metallic Transparent Electrodes.

Transparent electrodes (TEs) are pivotal components in many modern devices such as solar cells, light-emitting diodes, touch screens, wearable electronic devices, smart windows, and transparent heaters. Recently, the high demand for flexibility and low cost in TEs requires a new class of transparent conductive materials (TCMs), serving as substitutes for the conventional indium tin oxide (ITO). So far, ITO has been the most used TCM despite its brittleness and high cost.

Silver Nanowire Networks: Ways to Enhance Their Physical Properties and Stability.

Silver nanowire (AgNW) networks have been intensively investigated in recent years. Thanks to their attractive physical properties in terms of optical transparency and electrical conductivity, as well as their mechanical performance, AgNW networks are promising transparent electrodes (TE) for several devices, such as solar cells, transparent heaters, touch screens or light-emitting devices. However, morphological instabilities, low adhesion to the substrate, surface roughness and ageing issues may limit their broader use and need to be tackled for a successful performance and long working lifetime.

Cost-Effectiveness Analysis of Seven Measures to Reduce Tail Biting Lesions in Fattening Pigs.

Tail biting is an important animal welfare issue in the pig sector. Studies have identified various risk factors which can lead to biting incidents and proposed mitigation measures. This study focused on the following seven key measures which have been identified to affect the risk of tail biting lesions: improvements in straw provision, housing ventilation, genetics, stocking density, herd health, provision of point-source enrichment objects, and adoption of early warning systems.

Effects of non-homogeneity and oxide coating on silver nanowire networks under electrical stress: comparison between experiment and modeling.

Silver nanowire (AgNW) networks are among the most promising indium-free, flexible transparent electrodes for energy, lighting and heating devices. However, the lack of stability of such networks is a key factor that limits their industrial application. While applications require homogeneous networks, non-homogeneous AgNW networks are intentionally prepared in the present work to probe the mechanisms leading to failure under electrical stress.

Reaction Rate Coefficient of OH Radicals with -Butanol as a Function of Temperature.

-Butanol or 1-butan- -ol (D9B) is often used as an OH radical tracer in atmospheric chemistry studies to determine OH exposure, a useful universal metric that describes the extent of OH radical oxidation chemistry. Despite its frequent application, there is only one study that reports the rate coefficient of D9B with OH radicals, (295 K), which limits its usefulness as an OH tracer for studying processes at temperatures lower or higher than room temperature. In this study, two complementary experimental techniques were used to measure the rate coefficient of D9B with OH radicals, (), at temperatures between 240 and 750 K and at pressures within 2-760 Torr.

Atmospheric Chemistry of -CHF and -CF: Temperature-Dependent OH Reaction Rate Coefficients, Degradation Products, Infrared Spectra, and Global Warming Potentials.

-CHF (1-heptafluorocyclopentene) and -CF (perfluorocyclopentene) are potent greenhouse gases presently used as replacement compounds in Si etching. A thorough understanding of their potential impact on climate and air quality necessitates studies of their atmospheric reactivity, radiative properties, and atmospheric degradation pathways. The predominant atmospheric removal process for these compounds is expected to be via reaction with the OH radical.

Rapid dark aging of biomass burning as an overlooked source of oxidized organic aerosol.

Oxidized organic aerosol (OOA) is a major component of ambient particulate matter, substantially impacting climate, human health, and ecosystems. OOA is readily produced in the presence of sunlight, and requires days of photooxidation to reach the levels observed in the atmosphere. High concentrations of OOA are thus expected in the summer; however, our current mechanistic understanding fails to explain elevated OOA during wintertime periods of low photochemical activity that coincide with periods of intense biomass burning.

Dynamic degradation of metallic nanowire networks under electrical stress: a comparison between experiments and simulations.

Metallic nanowire networks represent a promising solution for a new generation of transparent and flexible devices, including touch screens, solar cells and transparent heaters. They, however, lack stability under thermal and electrical stresses, often leading to the degradation of nanowires, which results in the loss of electrical percolation paths. We propose a comprehensive description of the degradation mechanism in a metallic nanowire network subjected to electrical stress.

Rapid synthesis of ultra-long silver nanowires for high performance transparent electrodes.

By using 1,2-propanediol instead of the classic polyol solvent, ethylene glycol, ultra-long silver nanowires are obtained in only 1 h. These nanowires lead to transparent electrodes with a sheet resistance of 5 Ohms per sq at a transparency of 94%, one of the highest figures of merit for nanowire electrodes ever reported.

Low-cost fabrication of flexible transparent electrodes based on Al doped ZnO and silver nanowire nanocomposites: impact of the network density.

We report the study of nanocomposite transparent electrodes based on aluminium doped zinc oxide (ZnO : Al) thin films and silver nanowire (AgNW) networks. The electrodes are fully fabricated by low-cost, open-air techniques, namely, atmospheric pressure spatial atomic layer deposition and spray coating. We show that the transparency and the electrical conductivity of the ZnO : Al/AgNW nanocomposites can be tuned by controlling the AgNW network density.

A mass-selective ion transfer line coupled with a uniform supersonic flow for studying ion-molecule reactions at low temperatures.

A new approach based on the uniform supersonic flow technique-a cold, thermalized de Laval expansion offering the advantage of performing experiments with condensable species-has been developed to study ion-molecule reactions at low temperatures. It employs a mass-selective radio frequency transfer line to capture and select ions from an adaptable ionization source and to inject the selected ions in the core of the supersonic expansion where rate coefficients and product branching can be measured from room temperature down to ∼15 K. The transfer line incorporates segmented ion guides combining quadrupolar and octapolar field orders to maximize transmission through the differential apertures and the large pressure gradients encountered between the ionization source (∼mbar), the quadrupole mass filter (∼10 mbar), and the de Laval expansion (∼mbar).

Methodologies for Assessing Disease Tolerance in Pigs.

Features of intensive farming can seriously threaten pig homeostasis, well-being and productivity. Disease tolerance of an organism is the adaptive ability in preserving homeostasis and at the same time limiting the detrimental impact that infection can inflict on its health and performance without affecting pathogen burden . While disease resistance (DRs) can be assessed measuring appropriately the pathogen burden within the host, the tolerance cannot be quantified easily.

Electrical Mapping of Silver Nanowire Networks: A Versatile Tool for Imaging Network Homogeneity and Degradation Dynamics during Failure.

Electrical stability and homogeneity of silver nanowire (AgNW) networks are critical assets for increasing their robustness and reliability when integrated as transparent electrodes in devices. Our ability to distinguish defects, inhomogeneities, or inactive areas at the scale of the entire network is therefore a critical issue. We propose one-probe electrical mapping (1P-mapping) as a specific simple tool to study the electrical distribution in these discrete structures.

Temperature Dependent Rate Coefficients for the Gas-Phase Reaction of the OH Radical with Linear (L, L) and Cyclic (D, D) Permethylsiloxanes.

Permethylsiloxanes are emitted into the atmosphere during production and use as personal care products, lubricants, and cleaning agents. The predominate atmospheric loss process for permethylsiloxanes is expected to be via gas-phase reaction with the OH radical. In this study, rate coefficients, k(T), for the OH radical gas-phase reaction with the two simplest linear and cyclic permethylsiloxanes were measured using a pulsed laser photolysis-laser induced fluorescence technique over the temperature range of 240-370 K and a relative rate method at 294 K: hexamethyldisiloxane ((CH)SiOSi(CH), L), k; octamethyltrisiloxane ([(CH)SiO]Si(CH), L), k; hexamethylcyclotrisiloxane ([-Si(CH)O-], D), k; and octamethylcyclotetrasiloxane ([-Si(CH)O-], D), k.

Size-Dependent Hydrogen Atom Attachment to Gas-Phase Hydrogen-Deficient Polypeptide Radical Cations.

Despite significant affinity to carbonyl oxygens, thermal hydrogen atoms attach to unmodified polypeptides at a very low rate, while the hydrogen-hydrogen exchange rate is high. Here, using the novel omnitrap setup, we found that attachment to polypeptides is much more facile when radical site is already present, but the rate decreases for larger radical ions. The likely explanation is the intramolecular hydrogen atom rearrangement in hydrogen-deficient radicals to a more stable or less accessible site.

Identification of PAH Isomeric Structure in Cosmic Dust Analogues: the AROMA setup.

We developed a new analytical experimental setup called AROMA (Astrochemistry Research of Organics with Molecular Analyzer) that combines laser desorption/ionization techniques with ion trap mass spectrometry. We report here on the ability of the apparatus to detect aromatic species in complex materials of astrophysical interests and characterize their structures. A limit of detection of 100 femto-grams has been achieved using pure polycyclic aromatic hydrocarbon (PAH) samples, which corresponds to 2x10 molecules in the case of coronene (CH).