An infrared, Raman, and X-ray database of battery interphase components.

Further improvements to lithium-ion and emerging battery technologies can be enabled by an improved understanding of the chemistry and working mechanisms of interphases that form at electrochemically active battery interfaces. However, it is difficult to collect and interpret spectra of interphases for several reasons, including the presence of a variety of compounds. To address this challenge, we herein present a vibrational spectroscopy and X-ray diffraction data library of ten compounds that have been identified as interphase constituents in lithium-ion or emerging battery chemistries.

Evaluation of Color Difference Models for Wide Color Gamut and High Dynamic Range.

Color difference models (CDMs) are essential for accurate color reproduction in image processing. While CDMs aim to reflect perceived color differences (CDs) from psychophysical data, they remain largely untested in wide color gamut (WCG) and high dynamic range (HDR) contexts, which are underrepresented in current datasets. This gap highlights the need to validate CDMs across WCG and HDR.

Lipidome atlas of the adult human brain.

Lipids are the most abundant but poorly explored components of the human brain. Here, we present a lipidome map of the human brain comprising 75 regions, including 52 neocortical ones. The lipidome composition varies greatly among the brain regions, affecting 93% of the 419 analyzed lipids.

Formulae Differences Commence a Database for Interlaboratory Studies of Natural Organic Matter.

Direct comparison of high-resolution mass spectrometry (HRMS) data acquired with different instrumentation or parameters remains problematic as the derived lists of molecular species via HRMS, even for the same sample, appear distinct. This inconsistency is caused by inherent inaccuracies associated with instrumental limitations and sample conditions. Hence, experimental data may not reflect a corresponding sample.

Hepatoprotective Activity of Lignin-Derived Polyphenols Dereplicated Using High-Resolution Mass Spectrometry, In Vivo Experiments, and Deep Learning.

Chronic liver diseases affect more than 1 billion people worldwide and represent one of the main public health issues. Nonalcoholic fatty liver disease (NAFLD) accounts for the majority of mortal cases, while there is no currently approved therapeutics for its treatment. One of the prospective approaches to NAFLD therapy is to use a mixture of natural compounds.

Aromaticity Index with Improved Estimation of Carboxyl Group Contribution for Biogeochemical Studies.

Natural organic matter (NOM) components measured with ultrahigh-resolution mass spectrometry (UHRMS) are often assessed by molecular formula-based indices, particularly related to their aromaticity, which are further used as proxies to explain biogeochemical reactivity. An aromaticity index (AI) is calculated mostly with respect to carboxylic groups abundant in NOM. Here, we propose a new constrained AI based on the measured distribution of carboxylic groups among individual NOM components obtained by deuteromethylation and UHRMS.

Modified MAX Phase Synthesis for Environmentally Stable and Highly Conductive TiC MXene.

One of the primary factors limiting further research and commercial use of the two-dimensional (2D) titanium carbide MXene TiC, as well as MXenes in general, is the rate at which freshly made samples oxidize and degrade when stored as aqueous suspensions. Here, we show that including excess aluminum during synthesis of the TiAlC MAX phase precursor leads to TiAlC grains with improved crystallinity and carbon stoichiometry (termed Al-TiAlC). MXene nanosheets (Al-TiC) produced from this precursor are of higher quality, as evidenced by their increased resistance to oxidation and an increase in their electronic conductivity up to 20 000 S/cm.

Structure-Preserving and Perceptually Consistent Approach for Visualization of Mass Spectrometry Imaging Datasets.

Mass spectrometry imaging (MSI) has become an important tool for 2D profiling of biological tissues, allowing for the visualization of individual compound distributions in the sample. Based on this information, it is possible to investigate the molecular organization within any particular tissue and detect abnormal regions (such as tumor regions) and many other biologically relevant phenomena. However, the large number of compounds present in the spectra hinders the productive analysis of large MSI datasets when utilizing standard tools.

Delineation of Isomers by the C Shifts in Ion Mobility Spectra.

Mass spectrometry (MS) and isotopes were intertwined for a century, with stable isotopes central to many MS identification and quantification protocols. In contrast, the analytical separations including ion mobility spectrometry (IMS) largely ignored isotopes, partly because of insufficient resolution. We recently delineated various halogenated aniline isomers by structurally specific splitting in FAIMS spectra.

Tailoring Electronic and Optical Properties of MXenes through Forming Solid Solutions.

Alloying is a long-established strategy to tailor properties of metals for specific applications, thus retaining or enhancing the principal elemental characteristics while offering additional functionality from the added elements. We propose a similar approach to the control of properties of two-dimensional transition metal carbides known as MXenes. MXenes (MX) have two sites for compositional variation: elemental substitution on both the metal (M) and carbon/nitrogen (X) sites presents promising routes for tailoring the chemical, optical, electronic, or mechanical properties of MXenes.

Tunable electrochromic behavior of titanium-based MXenes.

Two-dimensional transition metal carbides, nitrides and carbonitrides, popular by the name MXenes, are a promising class of materials as they exhibit intriguing optical, optoelectronic and electrochemical properties. Taking advantage of their metallic conductivity and hydrophilicity, titanium carbide MXenes (Ti3C2Tx and others) are used to fabricate solution processable transparent conducting electrodes (TCEs) for the design of three-electrode electrochromic cells. However, the tunable electrochromic behavior of various titanium-based MXene compositions across the entire visible spectrum has not yet been demonstrated.

Refinement of Compound Aromaticity in Complex Organic Mixtures by Stable Isotope Label Assisted Ultrahigh-Resolution Mass Spectrometry.

Fourier transform ion cyclotron resonance mass spectrometry (FTICR MS) provides a unique opportunity for molecular analysis of natural complex mixtures. In many geochemical and environmental studies structure-propertry relations are based solely on the elemental compositional information. Several calculated parameters were proposed to increase reliability of structural attribution, among which aromaticity indices (AI and AI) are widely used.

Influence of multiplexing conditions on artefact signal and the signal-to-noise ratio in the decoded data in Hadamard transform ion mobility spectrometry.

In Hadamard transform ion mobility spectrometry (HT IMS), the signal-to-noise ratio is always lower for non-modified pseudorandom sequences than for modified sequences. Since the use of non-modified modulating pseudorandom sequences is strategically preferable from a duty cycle standpoint, we investigated the change in the interference signal when transitioning from non-modified modulating sequences to sequences modified by the addition of 1,3,5 and 7 zeros. The interfering signal in HT IMS with modified pseudorandom sequences was shown to be mainly random noise for all the cases except for modifying by incorporation of 1 zero.

Synthesis of MoVAlC MAX Phase and Two-Dimensional MoVC MXene with Five Atomic Layers of Transition Metals.

MXenes are a family of two-dimensional (2D) transition metal carbides, nitrides, and carbonitrides with a general formula of MXT, in which two, three, or four atomic layers of a transition metal (M: Ti, Nb, V, Cr, Mo, Ta, etc.) are interleaved with layers of C and/or N (shown as X), and T represents surface termination groups such as -OH, ═O, and -F. Here, we report the scalable synthesis and characterization of a MXene with five atomic layers of transition metals (MoVCT), by synthesizing its MoVAlC MAX phase precursor that contains no other MAX phase impurities.

Tuning the Electrochemical Performance of Titanium Carbide MXene by Controllable In Situ Anodic Oxidation.

MXenes are a class of two-dimensional (2D) transition metal carbides, nitrides and carbonitrides that have shown promise for high-rate pseudocapacitive energy storage. However, the effects that irreversible oxidation have on the surface chemistry and electrochemical properties of MXenes are still not understood. Here we report on a controlled anodic oxidation method which improves the rate performance of titanium carbide MXene (Ti C T T refers to -F, =O, -Cl and -OH) electrodes in acidic electrolytes.

Automated Scalpel Patterning of Solution Processed Thin Films for Fabrication of Transparent MXene Microsupercapacitors.

A simple and generic strategy is proposed to pattern thin films deposited by a solution processable route. A soft approach based on an automated scalpel technique is developed to engrave thin films in a single step for sculpting functional planar devices. MXenes-the emerging family of 2D transition metal carbides and nitrides-combine metallic conductivity and hydrophilicity, enabling solution processing of transparent conducting electrodes (TCEs) under ambient conditions.

2D titanium carbide (MXene) for wireless communication.

With the development of the Internet of Things (IoT), the demand for thin and wearable electronic devices is growing quickly. The essential part of the IoT is communication between devices, which requires radio-frequency (RF) antennas. Metals are widely used for antennas; however, their bulkiness limits the fabrication of thin, lightweight, and flexible antennas.

Selective Etching of Silicon from Ti SiC (MAX) To Obtain 2D Titanium Carbide (MXene).

Until now, MXenes could only be produced from MAX phases containing aluminum, such as Ti AlC . Here, we report on the synthesis of Ti C (MXene) through selective etching of silicon from titanium silicon carbide-the most common MAX phase. Liters of colloidal solutions of delaminated Ti SiC -derived MXene (0.

MoS -on-MXene Heterostructures as Highly Reversible Anode Materials for Lithium-Ion Batteries.

Two-dimensional (2D) heterostructured materials, combining the collective advantages of individual building blocks and synergistic properties, have spurred great interest as a new paradigm in materials science. The family of 2D transition-metal carbides and nitrides, MXenes, has emerged as an attractive platform to construct functional materials with enhanced performance for diverse applications. Here, we synthesized 2D MoS -on-MXene heterostructures through in situ sulfidation of Mo TiC T MXene.

New nanocomposites for SERS studies of living cells and mitochondria.

A great enhancement in Raman scattering (SERS) from heme-containing submembrane biomolecules inside intact erythrocytes and functional mitochondria is demonstrated for the first time using silver-silica beads prepared using a new method involving aerosol pyrolysis with aqueous diamminesilver(i) hydroxide as a unique source of plasmonic nanoparticles for SiO microspheres. The recorded SERS spectra reveal a set of characteristic peaks at 750, 1127, 1170, 1371, 1565, 1585 and 1638 cm, resulting from the normal group vibrations of the pyrrole rings, methine bridges and side radicals in the heme molecules. The SERS spectra of functional mitochondria are sensitive to the activity of the mitochondrial electron transport chain, thus making the method a novel label-free approach to monitor the redox state and conformation of cytochromes in their natural cell environment.

Probing cytochrome c in living mitochondria with surface-enhanced Raman spectroscopy.

Selective study of the electron transport chain components in living mitochondria is essential for fundamental biophysical research and for the development of new medical diagnostic methods. However, many important details of inter- and intramembrane mitochondrial processes have remained in shadow due to the lack of non-invasive techniques. Here we suggest a novel label-free approach based on the surface-enhanced Raman spectroscopy (SERS) to monitor the redox state and conformation of cytochrome c in the electron transport chain in living mitochondria.

Assessment of the e-Answers Initiative, a New Model for Response by Email to Scientific Information Requests Carried Out by the Medical Information Service of Novartis Pharmaceuticals in Spain: Results of an Internal Satisfaction Survey.

Background: The aim of this study was to evaluate internal customer satisfaction with the Medical Information Service of Novartis Farmacéutica after changing to a new model of response by email to scientific information requests (the e-Answers initiative).

Methods: A survey, conducted 3 months after the e-Answers initiative was implemented, was designed to determine the profile of each respondent and included 10 multiple-choice questions on user satisfaction. A 7-point Likert-type scale was used whenever possible.