Raman Spectra Analysis Research Articles

Application of Raman spectroscopy using an original optical sensor to assess the laboratory efficacy of antiplatelet drugs

The main method for monitoring the laboratory effectiveness of antiplatelet drugs in modern clinical practice is aggregometry, but this method is not without limitations. In this connection, there is an objective need to develop alternative methods. One of the promising areas is the method of Raman spectroscopy (RS).Objective: development of a method to detect high residual platelet reactivity (RPR) in patients with CVD receiving acetylsalicylic acid (ASA) or clopidogrel by giant Raman spectroscopy (GRS) using an original optical biosensor.Material sand Methods. Platelet-rich plasma of patients with cardiovascular diseases (CVD) was investigated by Raman spectroscopy using an original optical biosensor. Platelet aggregation activity was investigated using a Siemens PFA-200 aggregometer with three types of cartridges – Collagen/EPI, Collagen/ADP, and P2Y. Fisher’s linear discriminant analysis was performed using Statistica 13.0 package.Results. Raman spectra analysis using different values of frequency shifts (970 cm-1 or 1590 cm-1), allows to evaluate laboratory ineffectiveness separately for ASA and clopidogrel. Thus, the number of patients with high residual platelet reactivity (RPR) was 41.7 % ± 6.3 % with ASA and 36.7 % ± 6.2 % with clopidogrel therapy; similar values using aggregometry were 43.5 % ± 10.3 % and 30.4 % ± 9.6 %.Conclusion. Application of the method of Raman spectroscopy using the original optical biosensor allows to distinguish patients with high RPR in the population of patients with CVD receiving antiaggregant therapy.

Soft plant root structure-media flow interactions: Exploring the adverse effect of lead contamination in North-Eastern Indian rice

We experimentally investigate the effect of lead (Pb2+) contamination on the roots of an Assamese rice line variety Lachit using a heavy metal analyzing fluidic tool. To demonstrate the adverse effects of lead contamination on rice seedlings in a controlled environment, we have performed a number of multidisciplinary experiments. Also, we develop a numerical model in this endeavor to predict the Michaelis–Menten kinetics parameters, which are used to depict the lead transport phenomenon following soft root structure-media flow interactions. We show that increased inlet lead concentration of the media solution leads to a reduction in root growth exponentially in the developed fluidic device. As supported by the Raman spectra analysis, the drastic metabolic changes are visible under lead contamination. Our results revel that, in comparison to the control condition, lead accumulation results in a decrease in the uptake of nitrogen and also, the metallic nutritional components (K+, Na+, and Ca2+). Under lead contamination, the average osmotic pressure difference at the root surface is seen to be less than in the control situation. The inferences drawn from the current research shed light on the detrimental effects of lead contamination on rice roots, which have the potential to significantly lower agricultural yields and threaten food security in areas where rice is the primary food source.

Structural damage and bubble evolution in SiC-ZrC composite irradiated with 500 keV He-ions at various temperatures

Ceramic composites with high temperature strengths and low neutron cross-sections are promising candidates for core materials in advanced nuclear systems. In present work, SiC-20 vol% ZrC composites were irradiated with 500 keV He-ions at 25, 500 and 800 °C to evaluate the effect of irradiation temperature on the structural damage and bubble evolution in ceramic composites. XRD and Raman spectra analysis give that the irradiation resulted in structural damages of both SiC and ZrC. TEM observations reveal the formation of helium bubbles and defect clusters after irradiation. Moreover, the occurrence of micro-cracks in ZrC grains and amorphization of SiC are observed for the samples irradiated at room temperature. Nanoindentation test showed that there is irradiation induced hardening or softening of the composites which depends on the irradiation temperature or fluence. The correlation between microstructural evolution and mechanical properties response is discussed.

Enhancement of 5-Fluorouracil Drug Delivery in a Graphene Oxide Containing Electrospun Chitosan/Polyvinylpyrrolidone Construct.

Electrospun nanofibrous mats, consisting of chitosan (CS) and polyvinylpyrrolidone (PVP), were constructed with the addition of graphene oxide (GO) for enhancement of delivery of the 5-Fluorouracil (5-Fu) chemotherapy drug. Upon studying the range of GO concentrations in CS/PVP, the concentration of 0.2% w/v GO was chosen for inclusion in the drug delivery model. SEM showed bead-free, homogenous fibres within this construct. This construct also proved to be non-toxic to CaCo-2 cells over 24 and 48 h exposure. The construction of a drug delivery vehicle whereby 5-Fu was loaded with and without GO in various concentrations showed several interesting findings. The presence of CS/PVP was revealed through XPS, FTIR and Raman spectroscopies. FTIR was also imperative for the analysis of 5-Fu while Raman exclusively highlighted the presence of GO in the samples. In particular, a detailed analysis of the IR spectra recorded using two FTIR spectrometers, several options for determining the concentration of 5-Fu in composite fibre systems CS/PVP/5-Fu and GO/CS/PVP/5-Fu were demonstrated. By analysis of Raman spectra in the region of D and G bands, a linear dependence of ratios of integrated intensities of AD and AG on the intensity of host polymer band at 1425 cm-1 vs. GO content was found. Both methods, therefore, can be used for monitoring of GO content and 5-Fu release in studied complex systems. After incorporating the chemotherapy drug 5-Fu into the constructs, cell viability studies were also performed. This study demonstrated that GO/CS/PVP/5-Fu constructs have potential in chemotherapy drug delivery systems.

Rapid and accurate bacteria identification through deep-learning-based two-dimensional Raman spectroscopy

Surface-enhanced Raman spectroscopy (SERS) offers a distinctive vibrational fingerprint of the molecules and has led to widespread applications in medical diagnosis, biochemistry, and virology. With the rapid development of artificial intelligence (AI) technology, AI-enabled Raman spectroscopic techniques, as a promising avenue for biosensing applications, have significantly boosted bacteria identification. By converting spectra into images, the dataset is enriched with more detailed information, allowing AI to identify bacterial isolates with enhanced precision. However, previous studies usually suffer from a trade-off between high-resolution spectrograms for high-accuracy identification and short training time for data processing. Here, we present an efficient bacteria identification strategy that combines deep learning models with a spectrogram encoding algorithm based on wavelet packet transform and Gramian angular field techniques. In contrast to the direct analysis of raw Raman spectra, our approach utilizes wavelet packet transform techniques to compress the spectra by a factor of 1/15, while concurrently maintaining state-of-the-art accuracy by amplifying the subtle differences via Gramian angular field techniques. The results demonstrate that our approach can achieve a 99.64 % and a 90.55 % identification accuracy for two types of bacterial isolates and thirty types of bacterial isolates, respectively, while a 90 % reduction in training time compared to the conventional methods. To verify the model's stability, Gaussian noises were superimposed on the testing dataset, showing a specific generalization ability and superior performance. This algorithm has the potential for integration into on-site testing protocols and is readily updatable with new bacterial isolates. This study provides profound insights and contributes to the current understanding of spectroscopy, paving the way for accurate and rapid bacteria identification in diverse applications of environment monitoring, food safety, microbiology, and public health.

Q-switched Nd: YAG Fundamental and Second Harmonic Wavelengths Impact on Preparing Nb2O5 Thin Films by a PLD Technique: A Comparative study

We aim to study and investigate the structural, optical, topographical, and morphological properties of Nb2O5 thin films deposited under vacuum Q-switched Nd: YAG pulsed laser for the first time to the best of our knowledge. The obtained results of this study can contribute in different fields of applications including the optoelectronic and biomedical fields. The fundamental (1064 nm) and the visible second harmonic (532 nm) wavelengths were utilized for this purpose. The laser energy was fixed at 657 mJ. The number of pulses and the substrate temperatures were 200 laser shots and 450 ºC, respectively. The observed X-ray diffraction patterns were assigned for T-Nb2O5 that refers to the orthorhombic and H-Nb2O5 which is related to the monoclinic phases supported by Raman spectra analyses. Nb2O5 thin film deposited by Nd: YAG fundamental wavelength (1064 nm) showed a thicker film, a higher surface roughness and, on average, a larger particles size It also provided better matching of the lattice d-spacing with the standard d-spacing obtained by JPCDs cards 00-030-0873 and 00-009-0372. The optical properties including the band gap values for both direct and indirect transitions were estimated with the lower gap was reported for the thin film prepared at the fundamental wavelength. The photoluminescence analyses supported that the transitions of both prepared films were indirect. FE-SEM clarified the surface morphology of each prepared film. The EDX analyses provided the elemental compositions and the purity of the Nb2O5 prepared films.

Raman Spectroscopy Investigations of Ribbeck Meteorite.

On 21 January 2024, asteroid 2024BX1, discovered the three hours before, fell to Earth south of Ribbeck in the Havelland region of Germany. In this study, fragments of the Ribbeck meteorite, characterized by white and gray colors lithology, were examined for their chemical and phase compositions. The white lithology fragment exhibited a homogeneous chemical and phase structure typical of orthopyroxene, which crystallizes in the orthorhombic system. The gray lithology fragment showed a greater diversity in chemical and phase compositions. Raman spectra analysis revealed that, in addition to the pyroxenes found in the white lithology fragment, minerals from the olivine group (fayalite and forsterite) were also present, along with plagioclase and sulfur in pure crystalline form.

Structural and Dynamical Effects of the CaO/SrO Substitution in Bioactive Glasses.

Silicate glasses containing silicon, sodium, phosphorous, and calcium have the ability to promote bone regeneration and biodegrade as new tissue is generated. Recently, it has been suggested that adding SrO can benefit tissue growth and silicate glass dissolution. Motivated by these recent developments, the effect of SrO/CaO-CaO/SrO substitution on the local structure and dynamics of Si-Na-P-Ca-O oxide glasses has been studied in this work. Differential thermal analysis has been performed to determine the thermal stability of the glasses after the addition of strontium. The local structure has been studied by neutron diffraction augmented by Reverse Monte Carlo simulation, and the local dynamics by neutron Compton scattering and Raman spectroscopy. Differential thermal analysis has shown that SrO-containing glasses have lower glass transition, melting, and crystallisation temperatures. Moreover, the addition of the Sr2+ ions decreased the thermal stability of the glass structure. The total neutron diffraction augmented by the RMC simulation revealed that Sr played a similar role as Ca in the glass structure when substituted on a molar basis. The bond length and the coordination number distributions of the network modifiers and network formers did not change when SrO (x = 0.125, 0.25) was substituted for CaO (25-x). However, the network connectivity increased in glass with 12.5 mol% CaO due to the increased length of the Si-O-Si interconnected chain. The analysis of Raman spectra revealed that substituting CaO with SrO in the glass structure dramatically enhances the intensity of the high-frequency band of 1110-2000 cm-1. For all glasses under investigation, the changes in the relative intensities of Raman bands and the distributions of the bond lengths and coordination numbers upon the SrO substitution were correlated with the values of the widths of nuclear momentum distributions of Si, Na, P, Ca, O, and Sr. The widths of nuclear momentum distributions were observed to soften compared to the values observed and simulated in their parent metal-oxide crystals. The widths of nuclear momentum distributions, obtained from fitting the experimental data to neutron Compton spectra, were related to the amount of disorder of effective force constants acting on individual atomic species in the glasses.

A New Powerful Magnetic Dark Catalyst Based on rGO/Fe3O4/CdSe Nanocomposite for Ultrafast Degradation of Methylene Blue Dye.

In the present study, Rgo/Fe3O4/CdSe as a dark catalyst material was synthesized by a refluxing method. The synthesized magnetic nanocomposites were studied by various analyses such as Fourier transform infrared (FTIR), energy-dispersive X-ray spectroscopy (EDS), field emission scanning electron microscopy (FESEM), X-ray diffractometer (XRD), Raman, Zeta and vibrating sample magnetometer (VSM). Characterization of structural analysis showed that the nanocomposites were successfully synthesized. The absorption spectrum was used to determine the dark catalyst activity of rGO/Fe3O4/CdSe nanocomposite. Analysis of the absorption spectrum showed that the prepared nanocomposites degrade the MB organic dye completely (100%) after 2min of stirring in the dark, also experimenting with different pH showed that the best performance for the degradation of MB occurs in neutral and alkaline media. The Raman spectrum analysis showed that the Fe3O4/CdSe quantum dots (QDs) were correctly incorporated on the reduced graphene oxide (rGO) nanosheets. Zeta potential analysis showed that rGO/Fe3O4/CdSe has a large amount of negative charge on its surface and the surface charge increased by about 16 mV compared to the Fe3O4/CdSe compound. BET and BJH techniques were used to determine the effective surface area and pore size diameter, BET results to determine the effective surface area showed that by adding graphene to the compound, the specific surface area increased from 42.877 m2g-1 to 54.1896 m2g-1. The radical scavenger experiment showed that electrons play an essential role in the degradation process. VSM analysis showed that the prepared nanocomposites have excellent superparamagnetic behavior, this advantage enables the easy collection of nanocatalysts by magnets from wastewater after dye degradation.

Enhanced electrochemical performance of garnet Li7La3Zr2O12 electrolyte by efficient incorporation of LiCl

Garnet-type Ta-doped Li7La3Zr2O12 (LLZO) lithium-ion-conducting ceramic electrolytes has become the promising and critical candidate for developing the high-energy-density all-solid-state lithium batteries, due to the satisfied Li+ conductivity, stability against metallic lithium anode, and the feasible preparation under ambient air. Here, to further increase the lithium-ion conductivity of LLZO comparable to that of the commercial organic liquid electrolytes, lithium chloride (LiCl) is effectively introduced to synthesize the garnet-type ceramic electrolytes with the nominal composition (Li6.5La3Zr1.5Ta0.5O12)1-x–(LiCl)x (x = 0, 5mol%, 10mol%, 15mol%, 20mol%, and 25mol%) via high-temperature calcination process. The cubic structure with highly conductive performance is confirmed from X-ray diffraction measurement as well as Raman spectra analysis. Structural information is observed according to field emission scanning electron microscope equipped with energy dispersive spectrometer and density measurements. Among above investigated ceramic compositions, the prepared (Li6.5La3Zr1.5Ta0.5O12)0.85–(LiCl)0.15 ceramic electrolyte sheet sintered at 1200 °C for 12h presents the room-temperature Li-ion conductivity of 1.22 × 10−3 S·cm−1 by alternating current (AC) impedance analysis along with the corresponding activation energy of 0.262eV through Arrhenius equation calculation. The electronic conductivity measurements are also done by direct-current polarization to confirm the ionic nature for all investigated ceramics. Furthermore, the Li|(Li6.5La3Zr1.5Ta0.5O12)0.85–(LiCl)0.15 |Li symmetric batteries can possess the small interfacial resistance of 92.3 Ω cm2 and stably run for 1000 h at 0.1 mA cm−2 without a short circuit at room temperature. The hybridized lithium-sulfur battery with (Li6.5La3Zr1.5Ta0.5O12)0.85–(LiCl)0.15 electrolyte delivered excellent initial room-temperature discharge capacity of 1204mAh·g−1 and 1152 mAh·g−1 under the current density of 0.1C and 0.2C respectively, large coulombic efficiency, and great cycling stability. Moreover, the lithium-sulfur batteries also can show excellent cycling performances under different current densities and a good capacity recoverability. The above investigation results suggest that the low-melting-point LiCl incorporation in Li6.5La3Zr1.5Ta0.5O12 electrolyte is an effective measurement to synthesize the cubic and dense Li-stuff garnet ceramic sheets for the high-performance rechargeable next-generation solid-state batteries.

Tribological Properties of MoN (Ag‐W)‐MoS2 (W) Multilayer Films in Wide Temperature Range

In nitride films, an enhanced lubrication effect has been achieved through the incorporation of a soft metal element such as Ag. However, at medium and high temperatures, the favorable tribological properties cannot be sustained for an extended period due to the rapid depletion of Ag. To address this issue, a multilayer film design with W element doping is conceived to impede Ag depletion. MoN (Ag‐W)‐MoS2 (W) multilayer films with 4 different layers are prepared, and their tribological properties are systematically characterized across temperatures ranging from 25 to 800 °C. The results indicate that the tribological properties of four different multilayer films vary considerably at different temperatures. The 8‐layer multilayer film exhibits a relatively low friction coefficient that can be maintained at wide‐range temperatures. X‐ray diffractometer patterns are obtained before and after the friction test to elucidate the lubrication phases of different layers within the multilayer films at various temperatures. Additionally, 3D profiles of wear trajectory surfaces are generated, revealing enhanced wear resistance achieved by effectively inhibiting the migration of Ag. The low friction coefficient in multilayer films can be attributed to the oxidation of MoS2 and the generation of new lubrication phases, as confirmed by Raman spectra analysis.

Synthesis, characterization and effective UV photo-sensing properties of Ga3+ doped NiO nanoparticles

In this work, resistive type photodetectors were fabricated using Gd3+ ions doped NiO nanoparticles to improve the detection of ultraviolet (UV) light. The occurrence of the simple cubic phase in NiO systems has been shown by X-ray diffraction patterns. The crystalline size of the NiO nanoparticles doped with different concentrations of Gd3+ at levels of pure, 1 %, 2 %, and 3 % were 6 nm, 8 nm, 9 nm, and 12 nm, respectively. The presence of dopants in the material was established by the Raman spectrum analysis. Transmission electron microscopy (TEM) pictures were used to validate the morphological properties of Gd3+ doped NiO nanoparticles nanoparticles at different degrees of dopant concentration (0 %, 1 %, 2 % and 3 %). The introduction and concentration of dopants alter the shape of NiO material. Based on the findings of UV–visible absorption spectroscopic studies, it can be concluded that the addition of Gd3+ ions to the system improved the absorption characteristics. The measured bandgap values for various degrees of Gd3+ doping, namely 0 %, 1 %, 2 %, and 3 %, are 3.51 eV, 3.45 eV, 3.36 eV, and 3.23 eV, respectively. According to the measured photoluminescence spectrum, Gd3+ ions may efficiently trap and maintain excited electrons within an energy level between the ground and excited states. This process greatly extends the lifespan of excitons from immediate recombination. The use of Gd3+-doped NiO sensors in UV photodetection resulted in a significant increase in conductivity and photocurrent. The photodetector fabricated using a 3 % concentration of Gd3+ doped NiO, has a responsivity of 24 × 10−2 AW−1, a detectivity of 14 × 109 Jones, and an external quantum efficiency (EQE) of 62 %.

Microwave dielectric properties of Li2Mg2Ga2Ti3O12 ceramics with spinel-type

Novel spinel-type Li2Mg2Ga2Ti3O12 ceramics were prepared by the solid-state method. Rietveld refinement revealed that the Li2Mg2Ga2Ti3O12 ceramics possess a cubic spinel structure with the Fd3‾m(227) space group. Raman spectrum analysis indicated that the Q × f and FWHM of ceramics exhibit an inverse relationship. According to the P-V-L theory, the Ti-O bond has the highest percentage of contribution to both of bond ionicity and lattice energy, indicating a significant impact on εr and Q × f, respectively. The Li2Mg2Ga2Ti3O12 ceramics showed the best microwave dielectric properties (εr = 15.72, Q × f = 69,633 GHz, and τf = −20 ppm/°C), sintering at an optimum temperature of 1200 °C. Additionally, a dielectric resonance antenna, on the basis of Li2Mg2Ga2Ti3O12 ceramics was designed and simulated.

RamanCrystalHunter: a new program and database for processing, analysis, and identification of Raman spectra

<i>RamanCrystalHunter</i>: a new program and database for processing, analysis, and identification of Raman spectra

A new non-destructive method to decipher the origin of organic matter in fossils using Raman spectroscopy.

Ancient biomolecules provide a unique perspective on the past but are underutilized in paleontology because of challenges in interpreting the chemistry of fossils. Most organically preserved soft tissues in fossils have been altered by thermal maturation during the fossilization process, obscuring original chemistry. Here, we use a comprehensive program of thermal maturation experiments on soft tissues from diverse extant organisms to systematically test whether thermally altered biosignatures can be discriminated using Raman spectroscopy. All experimentally matured samples show chemical signatures that are superficially similar. Comparative analysis of Raman spectra following peak deconvolution, however, reveals strong tissue-specific signals. Application of this approach to fossils from the Bolca (49 Ma) and Libros (10 Ma) Konservat-Lagerstätten successfully discriminates fossil vertebrate soft tissue from that of fossil plants. Critically, our data confirm that a robust interrogation of Raman spectra coupled with multivariate analysis is a powerful tool to shed light on the taxonomic origins of thermally matured fossil soft tissues.

Mapping lipid species remodeling in high fat diet-fed mice: Unveiling adipose tissue dysfunction with Raman microspectroscopy

Dysregulated lipid metabolism in obesity leads to adipose tissue expansion, a major contributor to metabolic dysfunction and chronic disease. Lipid metabolism and fatty acid changes play vital roles in the progression of obesity. In this proof-of-concept study, Raman techniques combined with histochemical imaging methods were utilized to analyze the impact of a high-fat diet (HFD) on different types of adipose tissue in mice, using a small sample size (n = 3 per group). After six weeks of high-fat diet (HFD) feeding, our findings showed hypertrophy, elevated collagen levels, and increased macrophage presence in the adipose tissues of the HFD group compared to the low-fat diet (LFD) group. Statistical analysis of Raman spectra revealed significantly lower unsaturated lipid levels and higher lipid to protein content in different fat pads (brown adipose tissue (BAT), subcutaneous white adipose tissue (SWAT), and visceral white adipose tissue (VWAT)) with HFD. Raman images of adipose tissues were analyzed using Empty modeling and DCLS methods to spatially profile unsaturated and saturated lipid species in the tissues. It revealed elevated levels of ω-3, ω-6, cholesterol, and triacylglycerols in BAT adipose tissues of HFD compared to LFD tissues. These findings indicated that while cholesterol, ω-6/ω-3 ratio, and triacylglycerol levels have risen in the SWAT and VWAT adipose tissues of the HFD group, the levels of ω-3 and ω-6 have decreased following the HFD. The study showed that Raman spectroscopy provided invaluable information at the molecular level for investigating lipid species remodeling and spatial mapping of adipose tissues during HFD.

The Aspects of Dimensionality in the Analysis of Raman Spectra of 2D Materials

Two-dimensional crystals are a class of materials in which an individual layer is indefinitely extended in two dimensions. Each layer is the molecular unit in the crystalline lattice. The nature of interlayer/intermolecular interaction is poorly understood. However, it defines physical properties such as carrier mobility, thermal conductivity, photoluminescence, etc. The vibrational properties of 2D materials are described based on triperiodic space groups. However, the triperiodic space groups do not apply to the description of these structures. The 17 two-dimensional groups in triperiodic space groups do not allow the existence of a third dimension. Therefore, if structures are not planar, the approach is inappropriate. The way to describe such structures is using the diperiodic groups in three dimensions. The well-known 2D materials are graphite, graphene, chalcogenide of Ga, Mo, W, and other elements. The crystalline As2S3 belongs to a class of 2D materials. The unit cell contains two layers with ten atoms in each layer, and it is similar to a structure of metal chalcogenide (MoS(Se)2, WS(Se)2). A bond length of 2.24 A is within the layer, and 3.56 A is between the layers. This interlayer/intralayer bond length ratio (= 1.59) corresponds to a significant difference in bond strengths. Center-zone optical phonons in crystalline As2S3 have been investigated by Raman scattering in a wide temperature range for two polarizations in the layer plane (ac). The crystal's and individual layers' symmetry are different, defining different selection rules for optical phonons. According to the crystallographic data, crystal symmetry is monoclinic with 20 atoms in a unit cell and is P21/n (C2h 5). The axis b, perpendicular to the layers, is the only unique axis of the crystal. Therefore, all phonons in the ac plane should be indistinguishable. The layer symmetry is orthorhombic in the diperiodic space group in three dimensions, in which a, b, and c axes are axes of symmetry with a space group of Pnm21 (C2v 7). The intensity of Raman bands in the layer plane shows strong polarization dependence, indicating layer symmetry's dominance. Interlayer interaction is weak, and as a result, low-frequency Raman bands appear in the spectra. The position of these bands defines the strength of interlayer interaction. The data presented provides an understanding of the structural motives of 2D As2S3 and may predict the optical/electronic properties of similar 2D materials based on Raman spectra.

Addressing Individual Layers and Their Optical Properties in Artificial MoS2 Bilayers via Sulfur Isotope Labeling.

The physicochemical properties of van der Waals (vdW) heterostructures are driven by the delicate interactions between the individual layers in a multilayer stack. While addressing the monolayers of different compositions in the multilayer is feasible, exploring the intrinsic properties of the monolayers of the same composition within a multilayer is extremely challenging. This becomes of utmost importance in energy conversion and storage concepts based on layered vdW materials. For example, the charge distribution on the individual layers can be determined, and the behavior can be disentangled. We introduce sulfur isotope labeling as a powerful tool for separately addressing monolayers in vdW heterostructures composed of transition metal disulfides. Using chemical vapor deposition (CVD), we prepared monolayers of MoS2 using natural sulfur (NatS) and 34sulfur (34S) as precursors. Artificial bilayers were then prepared by transferring Mo34S2 onto MoNatS2. Thanks to the different masses of NatS and 34S, we were able to disentangle the spectral fingerprints of phonons and excitons in the two layers using Raman and photoluminescence microspectroscopy. Also, the charge distribution on the individual layers was revealed through Raman spectra analysis. Our work thus provides a different perspective for understanding the functionalities and optical properties of smart architecture based on transition metal chalcogenides.

Exploration of dynamic interaction between β-lactoglobulin and casein micelles during UHT milk process

The protein aggregation induced by UHT treatment shortens the shelf life of UHT milk. However, the mechanism of β-Lg induced casein micelle aggregation remains unclear. Herein, the dynamic interaction between β-Lg and casein micelles during UHT processing was investigated by experimental techniques and molecular dynamics simulations. Results showed that β-Lg decreased the stability of casein micelles, increased their size and zeta potential. Raman and FTIR spectra analysis suggested that hydrogen and disulfide bonds facilitated their interaction. Cryo-TEM showed that the formation of the casein micelle/β-Lg complex involved rigid binding, flexible linking, and severe cross-linking aggregation during UHT processing. SAXS and MST demonstrated β-Lg bound to κ-casein on micelle surfaces with a dissociation constant (Kd) of 3.84 ± 1.14 μm. Molecular docking and dynamic simulations identified the interacting amino acid residues and clarified that electrostatic and van der Waals forces drove the interaction. UHT treatment increased hydrogen bonds and decreased total binding energy. The non-covalent binding promoted the formation of disulfide bonds between β-Lg and casein micelles under heat treatment. Ultimately, it was concluded that non-covalent interaction and disulfide bonding resulted in casein micelle/β-Lg aggregates. These findings provided scientific insights into protein aggregation in UHT milk.

High-temperature relaxation and microwave dielectric response of (1-x)BaNd1.76Bi0.24Ti5O14-xBa0.6Sr0.4La4Ti4O15 compounds with adjustable medium-high dielectric constant

Dielectric ceramics in the microwave band are one of the crucial materials for mobile communication technology, and the studying of their phase evolution and defect behavior can help to understand and reduce dielectric loss. In this work, (1-x)BaNd1.76Bi0.24Ti5O14-xBa0.6Sr0.4La4Ti4O15 (x = 0.2, 0.4, 0.6 and 0.8, (1-x)BNT-xBSLT) ceramics were synthesized by solid-state reaction method. X-ray diffraction (XRD) and Raman spectra analysis reveal that tungsten bronze and hexagonal perovskite phases coexist in the ceramics, and BaNd2Ti3O10 is indexed as the main crystalline phase at x = 0.4, 0.6, leading to a deterioration of the microwave dielectric properties. The defect-related relaxation behavior and its effect on microwave dielectric properties were analyzed by dielectric temperature spectrum and thermally stimulated depolarization current (TSDC). The relationship between the dielectric constant and the electric field distribution was solved using the eigenmode of the high frequency structure simulator. In short, the (1-x)BNT-xBSLT ceramics at x = 0.8 exhibit excellent microwave dielectric properties: εr = 47.2, Q×f = 16,800 GHz, and τf = −4.6 ppm/°C. The microwave dielectric response of BNT-BSLT composite ceramics is closely related to the phase composition and defects, which is informative for the development of low dielectric loss ceramics.