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The Influence of Ceramic Far-Infrared Ray (cFIR) Irradiation on Water Hydrogen Bonding and its Related Chemo-physical Properties
摘要： The property of water is highly related to the earth's environment and climate change. The fundamental dynamical process of water is include formation and breaking of hydrogen bonds. This dynamic process, so far, is still poorly understood. We investigated weakening of the hydrogen bonds of water after ceramic Far-Infrared Ray (cFIR) irradiation and the resulting effects on physical and chemical properties of water. In this study, the Fourier transform infrared spectroscopy (FT-IR) was used to explore hydrogen bonding change of cFIR-irradiated water; in addition, capillary viscometers, Gas Chromatographs (GC), Differential Scanning Calorimetry (DSC), contact angles, Franz cells, High-Performance Liquid Chromatography (HPLC), and capillary electrophoresis analysis were used to evaluate its physical characteristics, such as viscosity, volatility, temperatures of water crystallization, surface tension, diffusion, hydrogen peroxide dissociation, solubility of solid particles, and changes in pH of acetic acid. The cFIR treated water decreased in viscosity and surface tension (contact angles), but increased in the solubility of solid particles, hydrogen peroxide dissociation, temperatures of water crystallization, and acidity of acetic acid. The weakening of water hydrogen bonds caused by cFIR irradiation is correspondent with our previous medical-biological studies on cFIR.
关键词： Hydrogen bonds,Fourier transform infrared spectroscopy (FT-IR),Contact angle,Ceramic far infrared ray (cFIR),Irradiation water,Solubility,Volatility
更新于2025-09-23 15:23:52
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Prediction model optimization using full model selection with regression trees demonstrated with FTIR data from bovine milk
摘要： Predictive modeling is the development of a model that is best able to predict an outcome based on given input variables. Model algorithms are different processes that are used to define functions that transform the data within models. Common algorithms include logistic regression (LR), linear discriminant analysis (LDA), classification and regression trees (CART), na?ve Bayes (NB), and k-nearest neighbor (KNN). Data preprocessing option, such as feature extraction and reduction, and model algorithms are commonly selected empirically in epidemiological studies even though these decisions can significantly affect model performance. Accordingly, full model selection (FMS) methods were developed to provide a systematic approach to select predictive modeling methods; however, current limitations of FMS, such as its dependency on user-selected hyperparameters, have prevented their routine incorporation into analyses for model performance optimization. Here we present the use of regression trees as an innovative method to apply FMS. Regression tree FMS (rtFMS) requires the development of a model for every combination of predictive modeling method options under consideration. The iterated, cross-validation performances of these models are then passed through a regression tree for selection of a final model. We demonstrate the benefits of rtFMS using a milk Fourier transform infrared spectroscopy dataset, wherein we build prediction models for two blood metabolic health parameters in dairy cows, nonesterified fatty acids (NEFA) and β-hydroxybutyrate acid (BHBA). The goal for building NEFA and BHBA prediction models is to provide a milk-based screening tool for metabolic health in dairy cattle that can be incorporated automatically in milk analysis routines. These models could be used in conjunction with physical exams, cow side tests, and other indications to initiate medical intervention. In contrast to previously reported FMS methods, rtFMS is not a black box, is simple to implement and interpret, it does not have hyperparameters, and it illustrates the relative importance of modeling options. Additionally, rtFMS allows for indirect comparisons among models developed using different datasets. Finally, rtFMS eliminates user bias due to personal preference for certain methods and rtFMS removes the dependency on published comparisons of methods. Thus, rtFMS provides clear benefits over the empirical selection of data preprocessing options and model algorithms.
关键词： Prediction model,Fourier-transform infrared spectra,Regression tree,Preprocessing,Full model selection
更新于2025-09-23 15:23:52
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Silver Nanostructures on Graphene Oxide as the Substrate for Surface-Enhanced Raman Scattering (SERS)
摘要： Nanosized surface-enhanced Raman scattering (SERS) substrates fabricated by the controlled growth of metal nanostructures on water-dispersed two-dimensional nanomaterials can open a new avenue for SERS analysis of liquid samples in biological fields. In this work, regular and uniform Ag nanostructures were grown on the surface of graphene oxide (GO) through a microwave-assisted hydrothermal method. Polyamidoamine (PAMAM) dendrimers were assembled on the surface of GO to form GO/PAMAM templates for growing Ag nanostructures, which are primarily comprised of Ag dimers and trimers. The prepared Ag/GO nanocomposites are highly dispersed and stable in aqueous solution and may be used as substrates for enhanced Raman detection of rhodamine 6 G (R6G) in aqueous solution. This special substrate provides high-performance SERS and suppresses R6G fluorescence in aqueous solution and is promising as a nanosized material for the enhanced Raman detection of liquid samples in biological diagnostics.
关键词： graphene oxide (GO),Surface-enhanced Raman scattering (SERS),polyamidoamine (PAMAM) dendrimers,transmission electron microscopy (TEM),Fourier transform infrared (FTIR) spectroscopy,rhodamine 6G (R6G)
更新于2025-09-23 15:23:52
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Evaluating the Surface Chemistry of Black Phosphorus during Ambient Degradation
摘要： Black Phosphorus (BP) is emerging as a promising candidate for electronic, optical and energy storage applications, however its poor ambient stability remains a critical challenge. Evaluation of few-layer liquid exfoliated BP during ambient exposure using x-ray photoelectron spectroscopy (XPS) and attenuated total reflectance Fourier transform infrared spectroscopy (ATR-FTIR) allows its surface chemistry to be investigated. Oxidation of liquid exfoliated few-layer BP initially occurs through non-bridging oxide species, which convert to bridging oxide species after ambient exposure. We demonstrate the instability of these bridging oxide species, which undergo hydrolysis to form volatile phosphorus oxides and evaporate from the BP surface. FTIR spectroscopy, scanning transmission electron microscopy and atomic force microscopy were used to confirm the formation of liquid oxides through a continuous oxidation cycle that results in the decomposition of BP. Furthermore, we show that the instability of few-layer BP originates from the formation of bridging oxide species.
关键词： Fourier transform infrared spectroscopy,Black phosphorus,phosphorene,x-ray photoelectron spectroscopy,2D materials,degradation,ambient stability,oxidation
更新于2025-09-23 15:23:52
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The feasibility of applying NIR and FT-IR fingerprinting to detect adulteration in black pepper
摘要： Black pepper is the most widely used spice in the world. Spices are highly vulnerable to economically motivated adulteration as they are high value products and traded along complex supply chains. The main fraud opportunity is to add cheaper bulking materials. Near and Fourier-Transform Infrared Spectroscopy has been combined with chemometrics to screen for the substitution of black pepper with papaya seeds, chili and with non-functional black pepper material such as black pepper husk, pinheads and defatted spent materials. A good separation performance between black pepper and adulterated samples could be shown. After running a binary classification model with an external test set an area under the receiver operator characteristic curve of 0.98 for both, the NIR and FT-IR model was obtained. This study shows the huge potential for a fast and rapid screening method that can be used to prove the authenticity of black pepper and detect adulterants.
关键词： Black Pepper,Screening method,Adulteration,Fourier transform infrared,Near infrared,Authenticity
更新于2025-09-23 15:22:29
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Optical properties and colorimetry of gelatine gels prepared in different saline solutions
摘要： Gelatine has been widely used in many multidisciplinary research fields due to its biocompatibility. Using saline solutions in the gelation of gelatine allows for new properties to be incorporated into the prepared gels. This study examined the optical and colour properties of gelatine gels prepared in saline solutions, containing three different metal chlorides (NiCl2·6H2O, CoCl2·6H2O, and CrCl3·6H2O) with concentrations of up to 50%, to prepare three groups of gels. FTIR spectroscopy indicated a loss in the helical structure of the metal-containing gelatine gels, and a shift in the amide bands towards lower wavenumbers. From the thermogravimetric analysis (TGA), the starting degradation temperatures (SDTs) of the prepared gelatine gels were found to be correlated to the concentration of the gelling solutions. All SDTs were above 250 °C, making these gels suitable for standing temperatures beyond the daily range. UV–vis spectroscopy showed that d-d transitions were responsible for the colour properties of the metal-containing gelatine gels. It is concluded that the studied properties and the measured parameters were found to depend on both salt type and concentration. With the current findings, the prepared gels can be used as optical thermometers, colour-selective corner cube retroreflectors, laser components, and coatings for OLEDs.
关键词： Colour parameters,Fourier transform infrared spectroscopy,Optical properties,Gelatine,Transition metals,Thermogravimetric analysis
更新于2025-09-23 15:22:29
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Effect of low-energy ion impact on the structure of hexagonal boron nitride films studied in surface-wave plasma
摘要： A high‐density surface‐wave plasma source is used to deposit hexagonal boron nitride (hBN) films in a gas mixture of He, H2, N2, Ar, and BF3 under a high ion flux condition using low‐energy ion irradiation. The ion energy is controlled between around zero and 100 eV by applying a negative or positive bias voltage to a substrate, while the ion flux is increased by locating a substrate upstream in the diffusive plasma. For ion energies above ～37 eV, the structure of the films depends upon ion energy more than substrate temperature, typical of subplantation processes. As a result, the structural order and crystallinity of sp2‐bonded phase in the films characterized by Fourier transform infrared spectroscopy and X‐ray diffraction are increased with decreasing ion energy, while the mass density of the films characterized by X‐ray reflectivity is retained relatively high with a slight dependence upon ion energy.
关键词： surface‐wave plasma,Fourier transform infrared spectroscopy (FTIR),chemical vapor deposition (CVD),hexagonal boron nitride (hBN),X‐ray diffraction (XRD),X‐ray reflectivity (XRR)
更新于2025-09-23 15:21:21
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Schiff base rare earth metal complexes: Studies on functional, optical and thermal properties and assessment of antibacterial activity
摘要： We used the condensation chemistry with anthracene 9 carbaldehyde and 3,4 diaminopyridine to form Schiff base (SB) ligand, N2,N3 bis (anthracen 9 ylmethylene) pyridine 3,4 diamine incorporating Er, Pr and Yb rare earth metals to form a series of SB complexes. Surface, structure, thermal, and optical properties of the resulting complexes were investigated using a variety of tools. The characteristic luminescence properties were observed after rare earth metal inclusions in SB. Antibacterial studies were performed against Bacillus subtilis, Staphylococcus aureus, Escherichia coli and Pseudomonas aeruginosa in terms of zone of inhibition for SB complexes. The SB-Pr complexes showed better immune behavior against all the pathogens than the other SB metal complexes.
关键词： Schiff base,Antibacterial,Rare earth metal,Fluorescence,Fourier transform infrared
更新于2025-09-23 15:21:21
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Effect of substrate bias and substrate/plasma generator distance on properties of a-C:H:SiOx films synthesized by PACVD
摘要： In this paper the a-C:H:SiOx films were synthesized on silicon (100) and glass substrates by plasma-assisted chemical vapor deposition combined with pulsed bipolar substrate bias from mixtures of argon and polyphenylmethylsiloxane vapor. The process of a-C:H:SiOx films formation was investigated by controlling processing conditions such as amplitude of negative pulse of substrate bias and the distance between the substrate and plasma generator. Physico-mechanical characteristics of a-C:H:SiOx films were studied by the nanoindentation technique, atomic force microscopy, Fourier transform infrared and Raman spectroscopy. The contact angle and surface free energy were determined by the sessile drop method using couple liquids (water and glycerin). It was found that the films’ properties are interrelated with the density of the ion current on the substrate, which was measured using a guarded planar probe. The obtained results show that film prepared at the smaller substrate/plasma generator distance and optimal substrate biasing has a higher content of sp3 bonded carbon and, accordingly, has higher hardness, Young's modulus and resistance to plastic deformation. At the same time the a-C:H:SiOx films show large hydrophobicity with a contact angle for water of about 91° and small total surface free energy of about 17.9 mN/m.
关键词： a-C:H:SiOx films,PACVD,Raman Spectroscopy,Substrate bias,Fourier Transform Infrared Spectroscopy,Wettability
更新于2025-09-23 15:21:21
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Thulium fiber laser: ready to dust all urinary stone composition types?
摘要： Purpose To evaluate whether stone dust can be obtained from all prevailing stone composition types using the thulium fiber laser (TFL) for lithotripsy. Where applicable, stone dust was further characterized by morpho-constitutional analysis. Methods Human urinary stones were submitted to in vitro lithotripsy using a FiberLase U2 TFL generator with 150 μm silica core fibers (IPG Photonics?, IPG Medical?, Marlborough, MA, USA). Laser settings were 0.05 J, 320 Hz and 200 μs. A total of 2400 J were delivered to each stone composition type. All evaluated stones had a > 90% degree of purity (calcium oxalate monohydrate, calcium oxalate dihydrate, uric acid, carbapatite, struvite, brushite and cystine). Spontaneously floating stone particles were considered as stone dust and collected for analysis by scanning electron microscopy and Fourier transform infrared spectroscopy. Results Stone dust could be retrieved from all evaluated urinary stones after TFL lithotripsy. Most stone dust samples revealed changes in crystalline organization, except for calcium oxalate monohydrate and carbapatite, which conserved their initial characteristics. Mean maximal width of stone dust particles did not exceed 254 μm. Conclusions The TFL is capable to produce stone dust from all prevailing stone types. Morpho-constitutional changes found in stone dust suggest a photothermal interaction of laser energy with the stone matrix during TFL lithotripsy.
关键词： Urolithiasis,Stone dust,Fourier transform infrared spectroscopy,Lithotripsy,Scanning electron microscopy,Thulium fiber laser
更新于2025-09-23 15:21:01