Further exploration of the physicochemical nature of μ-bridge-relevant deprotonations the elucidation of four kinds of alditol complexes.

Single-crystal structures of four alditol complexes are presented. In LuCl/galactitol and ScCl/-inositol complexes, μ-bridge-relevant deprotonations were observed. The polarization from two rare earth ions in the μ-bridge activates the chemically inert OH and promotes deprotonation.

Nondestructive determination of canola oil oxidation causes: A near-infrared spectroscopy coupled with liquid chromatography-mass spectrometry for analyzing triacylglycerol hydroperoxide isomers.

Monitoring oxidation causes (i.e. radical and/or photo-oxidation) of vegetable oil gives very important information for its quality control.

First identification of microplastics in human uterine fibroids and myometrium.

Microplastics (MPs) pollution has received widespread attention in recent years as the use of plastics continues to increase. However, currently no studies have reported the finding of MPs in human uterine fibroids (UFs) and myometrium tissues. In this study, UFs tissues (n = 48) and myometrium tissues (n = 40) from 48 patients and myometrium tissues (n = 8) from healthy population were collected.

A green approach to nanoplastic detection: SERS with untreated filter paper for polystyrene nanoplastics.

Plastic pollution at the nanoscale continues to pose adverse effects on environmental sustainability and human health. However, the detection of nanoplastics (NPLs) remains challenging due to limitations in methodology and instrumentation. Herein, a "green approach" for surface-enhanced Raman spectroscopy (SERS) was exploited to detect polystyrene nanospheres (PSNSs) in water, employing untreated filter paper and a simple syringe-filtration set-up.

Detection and analysis of microplastics in tissues and blood of human cervical cancer patients.

Microplastics (MPs) can enter the reproductive system and can be potentially harmful to human reproductive health. In this study, 13 types of microplastics (MPs) were identified in patient blood, cancer samples, and paracarcinoma samples using Raman spectroscopy, with polyethylene, polypropylene and polyethylene-co-polypropylene being the most abundant polymer types. Futher, cotton was also found in our study.

Patterns of Cross-Peaks in Two-Dimensional Correlation Spectra to Probe Intermolecular Interactions Described by Two Reversible Reactions.

Two-dimensional correlation spectroscopy is used to investigate the intermolecular interaction between two substances dissolved in the same solutions, where the intermolecular interaction is described by two reversible reactions producing two supramolecular aggregates. The severe overlappings expected among the characteristic peaks of the original solute and aggregates make conventional one-dimensional spectra difficult to accurately reflect the physiochemical nature of the intermolecular interaction. The double asynchronous orthogonal sample design (DAOSD) approach is utilized to analyze the simulated data for proof-of-principle demonstration.

ATR-far-ultraviolet spectroscopy: a challenge to new σ chemistry.

This review reports the recent progress on ATR-far ultraviolet (FUV) spectroscopy in the condensed phase. ATR-FUV spectroscopy for liquids and solids enables one to explore various topics in physical chemistry, analytical chemistry, nanoscience and technology, materials science, electrochemistry, and organic chemistry. In this review, we put particular emphasis on the three major topics: (1) studies on electronic transitions and structures of various molecules, which one cannot investigate ordinary UV spectroscopy.

In-situ surface enhanced Raman spectroscopy revealing the role of metal-organic frameworks on photocatalytic reaction selectivity on highly sensitive and durable Cu-CuBr substrate.

Photocatalytic reactions using copper-based nanomaterials have emerged as a new paradigm in green technology. Selective photocatalysis is very important for improving energy utilization efficiency, and in order to directional improve catalytic selectivity, it is necessary to understand the mechanism of interfacial reactions at the molecular level. Therefore, a unique bifunctional Cu-CuBr substrate is first fabricated via an electrochemical method, which overcomes the instability of traditional copper-based materials and endows high surface-enhanced Raman spectroscopy (SERS) sensitivity and photocatalytic performance and can be stored stably for more than a year.

Visualization and identification of components in a gigantic spherical dolomite concretion by Raman imaging in combination with MCR or CLS methods.

The combination of Raman imaging and multivariate curve resolution (MCR) or classical least squares (CLS) has allowed us to explore the distribution and identification of components in a gigantic spherical dolomite concretion. It has been found by the MCR and CLS analyses of imaging data that the concretion contains dolomite, kerogen, anatase, quartz, plagioclase, and carbon materials with considerably large distribution of dolomite. The existence of these components has also been confirmed by the point-by-point analysis of imaging data.

Attenuated Total Reflection Infrared and Far-Infrared, and Raman Spectroscopy Studies of Minerals, Rocks, and Biogenic Minerals.

Attenuated total reflection infrared (ATR-IR, 4000-400 cm), ATR-far-IR (ATR-FIR, 400-50 cm), and Raman spectra (4000-10 cm) were measured for calcium carbonate, three kinds of minerals (calcite, aragonite, and quartz), two kinds of rocks (obsidian and pumice), and four kinds of biogenic minerals, i.e., coral (aragonite), (aragonite), (aragonite), and (aragonite), to investigate the polymorphism of minerals and biogenic minerals, differences in the crystal structure among aragonite and aragonite biogenic minerals, water in the minerals and biogenic minerals, Boson peaks of obsidian and pumice, very small amounts of carotenoids in the three kinds of shells, and so on.

Validation of the cell culture monitoring using a Raman spectroscopy calibration model developed with artificially mixed samples and investigation of model learning methods using initial batch data.

The development of calibration models using Raman spectra data has long been challenged owing to the substantial time and cost required for robust data acquisition. To reduce the number of experiments involving actual incubation, a calibration model development method was investigated by measuring artificially mixed samples. In this method, calibration datasets were prepared using spectra from artificially mixed samples with adjusted concentrations based on design of experiments.

SERS Tracking Oxidative Stress on a Metalloporphyrin Framework by Vitamin C.

Accurate control of charge transfer is crucial to investigate the catalytic reaction mechanism of the biological oxidation process that biomedicine participates in. Herein, we have established an assembly model of metalloporphyrin framework (MPF) nanosheets as the active centers of biological enzymes. The introduction of Vitamin C (VC) into the MPF system can precisely modulate its content of charges.

Combined X-ray Reflectivity and Infrared Study of the Effect of Hydrogen Bonding of the OH Group on the Relaxation Behavior in Ultrathin Polyvinylphenol Films on SiO.

Utilizing X-ray reflectivity and infrared reflection absorption spectroscopy (IR-RAS), we have investigated the thermal expansion and contraction of ultrathin polyvinylphenol (PVPh) films supported on a silicon (100) substrate capped with an amorphous SiO layer. Despite being known to form strong interactions with the SiO surface, the thin PVPh films showed a reduction in the glass-transition point , similar to the behavior of polystyrene thin films deposited on SiO. We explored the relationship between thermal expansivity and film thickness using well-annealed films and found that it decreases with film thickness in the range below twice the radius of gyration of a polymer chain (2) in the glassy state.

Biogenic apatite in carbonate concretions with and without fossils investigated in situ by micro-Raman spectroscopy.

Micro-Raman spectra of concretions with and without fossils were measured in a nondestructive manner. The band position and full width at half maximum height (FWHM) of ν-PO of apatite in the concretions were analyzed to investigate the origin of apatite. The analyzed concretions were derived from the Kita-ama Formation of the Izumi Group, Japan.

A new approach to recognizing the correct pattern of cross-peaks from a noisy 2D asynchronous spectrum by detecting intrinsic symmetry the Kolmogorov-Smirnov test.

The characteristic cluster pattern of cross-peaks in a 2D asynchronous spectrum provides an effective way to reveal the specific physicochemical nature of subtle spectral changes caused by intermolecular interactions. However, the inevitable presence of noise in the 1D spectra used to construct a 2D asynchronous spectrum is significantly amplified, which poses a serious challenge in identifying the correct cluster pattern of the cross-peaks. While mirror symmetry occurs in some types of cross-peaks, it does not occur in other types.

A new apparatus and the relevant method to retrieve IR spectra of solutes from the corresponding aqueous solutions.

An apparatus and relevant approach to obtaining IR spectra of solutes from the corresponding aqueous solution were developed. In the experiment, aqueous solutions were converted into aerosols using an ultrasonic or a pneumatic device. Subsequently, water in the nebulized solution is completely gasified under a high-speed flow and low vacuum environment.

Toward a New Era of SERS and TERS at the Nanometer Scale: From Fundamentals to Innovative Applications.

Surface-enhanced Raman scattering (SERS) and tip-enhanced Raman scattering (TERS) have opened a variety of exciting research fields. However, although a vast number of applications have been proposed since the two techniques were first reported, none has been applied to real practical use. This calls for an update in the recent fundamental and application studies of SERS and TERS.

Homogeneous Pt nanostructures surface functionalized with phenylboronic acid phosphonic acid derivatives as potential biochemical nanosensors and drugs: SERS and TERS studies.

Here, surface-enhanced Raman scattering (SERS) and tip-enhanced Raman scattering (TERS) were used to characterize the selective adsorption of N-substituted 4-[(NH-R)(phosphono)-S-methyl]phenylboronic acids on the surface of platinum nanoparticles (PtNPs) from an aqueous solution and from air. The nature of the interaction of the studied compounds with the PtNPs/H O and PtNPs/air interfaces was discussed and compared. For this purpose, 4-[(N-anilino)(phosphono)-S-methyl]phenylboronic acid (1-PBA-PA) and its two analogs (2-PBA-PA and bis{1-PBA-PA}) as well as the PtNPs were synthesized in surfactant/ion-free solution via a synthetic route that allows control of the size and morphology of the NPs.

Exposing intracellular molecular changes during the differentiation of human-induced pluripotent stem cells into erythropoietin-producing cells using Raman spectroscopy and imaging.

The objective of this study was to explore intracellular molecular changes during the differentiation of human-induced pluripotent stem cells (iPSCs) into erythropoietin (EPO)-producing cells using Raman spectroscopy and imaging. Raman imaging data of fixed cells at four stages of cell differentiation were analyzed by a partial least squares (PLS) regression model, and the variations in the intracellular molecular compositions with cell differentiation were investigated. As a result, three biomarkers characterizing the cell phases were identified: dimethyl sulfoxide (DMSO), fatty acids with a low grade of unsaturation, and glycoproteins.

Robust Approach to Estimating the Stoichiometric Ratio of Supramolecular Complexes Using the Volume of Cross-Peaks in 2D Asynchronous Spectra and the Jonckheere-Terpstra Test.

Estimation of the stoichiometric ratio of a supramolecular aggregate formed by different compounds is very important in elucidating the structure and function of the aggregate. Many spectroscopic methods used to estimate the stoichiometric ratios of coordination complexes become invalid when characteristic peaks of the aggregate overlap with peaks of compounds that form the aggregate. Previously, we combined the asynchronous orthogonal sample design with Job's method to address the abovementioned problem.