Polarization Changes Research Articles

Electronic Structure, Elasticity, Magnetism of Mn2XIn (X = Fe, Co) Full Heusler Compounds under biaxial strain: First-Principles Calculations

Abstract The electronic structure, elasticity, and magnetic properties of the Mn2XIn (X = Fe, Co) full-Heusler compounds are comprehensively investigated via first-principles calculations. The calculated elastic constants indicate that both Mn2FeIn and Mn2CoIn possess ductility. At the optimal lattice constants, the magnetic moments are found to be 1.40 μB/f.u for Mn2FeIn and 1.69 μB/f.u for Mn2CoIn. Under the biaxial strain ranging from -2% to 5%, Mn2FeIn demonstrates a remarkable variation in the spin polarization, spanning from -2% to 74%, positioning it as a promising candidate for applications in spintronic devices. Analysis of the electronic structure reveals that the change in spin polarization under strain is due to the shift of the spin-down states at the Fermi surface. Additionally, under biaxial strain, the magnetic anisotropy of Mn2FeIn undergoes a transition of easy-axis direction. Utilizing second-order perturbation theory and electronic structure analysis, the variation in magnetic anisotropy with strain can be attributed to changes of d-orbital states near the Fermi surface.

Chlorophyll films for radiation dosimetry: a feasibility study

Abstract Novel Chlorophyll-PVA composite films have been prepared and tested for the dosimetry of therapeutic radiation. The radiation response has been quantified using UV–vis spectroscopy. FTIR and XRD spectroscopies have been used to characterize the physical properties and irradiation response of the films. The films have shown response towards the therapeutic x-rays beams of 6 MV nominal energy in the tested dose range of 0.25 Gy to 32 Gy in discrete dose levels occurring in the geometric progression series of 2. The dosimeter has been found to exhibit sensitivity at a low dose of 0.25 Gy. The dose response curve of the dosimeter exhibits an exponential relationship of the absorbance and absorbed dose. A region of saturated absorbance has been observed beyond 4 Gy. The peak intensities of the FTIR spectra have been found to decrease with increasing doses as compared to the unirradiated samples, because of the changes in the bond polarities and molecular geometries. The XRD spectra indicates a change in the molecular orientation resulting in a decrease in peak intensity with increasing dose. This study indicates the feasibility of chl-PVA films in the dosimetry of therapeutic radiation. This film dosimeter can be processed locally with minimum resources and standardized against a known standard before clinical use. The chlorophyll molecules need careful handling owing to their sensitivity to light and temperature.

Substrate specificity and kinetic mechanism of 3-hydroxy-Δ5-C27-steroid oxidoreductase

Cholesterol is a key sterol whose homeostasis is primarily maintained through bile acid metabolism. Proper bile acid formation is vital for nutrient and fat-soluble vitamin absorption and emulsification of lipids. Synthesis of bile acids occurs through two main pathways, both of which rely on 3-hydroxy-5-C27 steroid oxidoreductase (HSD3B7) to begin epimerization of the 3β hydroxyl of cholesterol into its active 3α conformation. In this sequence HSD3B7 catalyzes the dehydrogenation of the 3β-hydroxy group followed by isomerization of the Δ5-cholestene-3-one. These reactions are some of the many steps that transform cholesterol for either storage or secretion. HSD3B7 has distinct activity from other 3β-HSD family members leaving significant gaps in our understanding of its mode of catalysis and substrate specificity. Additionally, the role of HSD3B7 in health and disease positions it as a metabolic vulnerability that could be harnessed as a therapeutic target. To this end, we evaluated the mechanism of HSD3B7 catalysis and reveal that HSD3B7 displays activity towards diverse 7α-hydroxylated oxysterols. HSD3B7 retains its catalytic efficiency towards these substrates, suggesting that its substrate binding pocket can withstand changes in polarity upon alterations to this hydrocarbon tail. Experiments aimed at determining substrate order are consistent with HSD3B7 catalyzing a sequential ordered bi bi reaction mechanism with the binding of NAD+ followed by 7α-hydroxycholesterol to form a central complex. HSD3B7 bifunctional activity is dependent on membrane localization through a putative membrane-associated helix giving insight into potential regulation of enzyme activity. We found strong binding of the NADH product thought to activate the isomerization reaction. Homology models of HSD3B7 reveal a potential substrate pocket that allows for oxysterol binding and mutagenesis was utilized to support this model. Together these studies offer an understanding of substrate specificity and kinetic mechanism of HSD3B7 which can be exploited for future drug development.

Screening and evaluation of phase change absorbents by molecular polarity index: Experimental and quantum chemical calculation studies

Phase change absorbents have recently received increasing attention due to their potential to reduce the energy penalty of CO2 capture. However, its complex composition makes the prediction of phase separation performance difficult. Phase separation behavior and phase separation rate have been investigated for the amine-aqueous 5.0 M amine blends by experimental and quantum chemical calculations (including MPI, hydrogen bonds and Gibbs free energy). The different phase behaviors upon CO2 absorption were discussed and well explained by the polarity change of components and the reaction products. A defined MPI value of tertiary amines was recommended to predict the immiscible type (MPI > 10.55 Kcal/mol), phase separation type (9.00 Kcal/mol < MPI < 10.08 Kcal/mol), and miscible type (MPI < 6.74 Kcal/mol). The electron density at the critical point of hydrogen bonds and interaction region indicators were employed to visually evaluate the influence of intramolecular and intermolecular hydrogen bonds on phase separation behaviors. The results show that the presence of excessive hydrogen bonds decreased the phase separation capacity. Furthermore, the relationship between the MPI, the Gibbs free energy of the proton transfer process and the phase separation time were explored. The increase of MPI caused by the tertiary amines can enhance the stability of the final product, delay the appearance of the phase separation peak and reach a maximum phase separation time of 230 min. Therefore, this study is significant for the screening and evaluation of efficient phase change absorbents with good potential for industrial applications in CO2 capture.

Giant piezoelectricity in antiferromagnetic CrS2 and CrSe2 monolayers

Abstract Two-dimensional (2D) materials, particularly transition metal dichalcogenides (TMDs), have garnered significant attention in the nanoscale piezoelectric field due to their high crystallinity and ability to withstand large strains. Through density-functional theory calculations, we have discovered that monolayer H-phase CrS2 and CrSe2 exhibit antiferromagnetic semiconducting properties, in contrast to the previously held belief that they were nonmagnetic (NM) semiconductors. While the piezoelectric coefficients of NM CrS2 and CrSe2 are comparable to those of MoS2, their antiferromagnetic ground states demonstrate significantly enhanced piezoelectric coefficients ( d 11 ) of 27.66 pm V−1 and 52.36 pm V−1, respectively. These values exceed that of MoS2 by an order of magnitude, marking the highest recorded for TMD materials and the highest in 2D magnetic materials to date. The greatly enhanced piezoelectric responses in the antiferromagnetic states of CrS2 and CrSe2 compared to their NM states arise from three primary factors. Firstly, the displacement of the Wannier center under strain is more pronounced in the antiferromagnetic state, leading to a greater change in dipole moment (enhanced clamped-ion contribution). Secondly, there is a heightened polarization change due to internal atomic distortions (internal-strain term) in response to macroscopic strain in the antiferromagnetic state. Thirdly, the material undergoes a softening of the elastic coefficient in its antiferromagnetic state. These findings open new avenues for designing high-performance piezoelectric and magnetic multifunctional materials.

A Novel Near-Infrared Tricyanofuran-Based Fluorophore Probe for Polarity Detection and LD Imaging

In this paper, LD-TCF, a targeting probe for lipid droplets (LDs) with a near-infrared emission wavelength and large Stokes shift, was fabricated for polarity detection by assembling a donor–π–acceptor (D–π–A) molecule with typical twisted intramolecular charge transfer (TICT) characteristics. Surprisingly, the fluorescence emission wavelength of the newly constructed probe LD-TCF was stretched to 703 nm, and the Stokes shift was amplified to 126 nm. Furthermore, LD-TCF could specifically answer the change in polarity efficiently and did not experience interference from other biologically active materials. Importantly, LD-TCF exhibited the ability to target lipid droplets, providing valuable insights for the early diagnosis and tracking of pathophysiological processes underlying LD polarity.

Investigation of The Effects of Extraction Polarity Change on the Bioactivity of Eruca Vesicaria

Eruca vesicaria (arugula) plant is frequently used today as a daily food source that contains a rich variety of minerals and vitamins, especially vitamin C. It also contains a high percentage of phenolic compounds which are structures that plants develop to protect themselves from harmful organisms. Phenolic compounds found in plants are obtained by different extraction methods and have a high antioxidant effect. In this study, we report, anticancer activity extract from Eruca vesicaria against human prostate cancer cells (PC-3) in vitro. The phenolic substances contained in the plant were obtained in different concentrations by the extraction technique based on the polarity difference. HPLC and total phenol content were determined to perform extraction content analysis. According to in vitro MTT cell proliferation assay, it acted at high concentrations, regardless of polarity differences. The highest cytotoxic effect was observed in extract extracted with 50% ethanol concentration. It has been observed that it has an anticancer effect compared to the determination of total phenol content. Also, as a result of 24-hour MIC analysis, it shows antibacterial properties according to agent concentration. As a result of this study, it adds many new information to the literature, but also provides guidance for future research.

Investigation of orientation behavior of nematic liquid crystals on UV-irradiated polyimide films

Abstract The orientation mechanism of liquid crystals (LCs) on surfaces remains unclear, despite several methods for controlling pretilt angles. This study investigates the relationship between the surface condition of polyimide films, whose pretilt angles can be controlled by UV dose, and LC orientation behavior. Absorbance at wavelength of 200 nm and 260 nm significantly decrease, while thickness reduces approximately 4 nm. A rubbing treatment further decreases the thickness by approximately 2 nm. Atomic force microscopy confirmed the change in molecular conformation by UV-irradiation and rubbing treatment. The dispersive and polar components of the surface free energy of UV-irradiated polyimide films are evaluated, it’s found that only the polar component changes with UV dose. Additionally, we confirm that the alignment of LCs transitions from homeotropic to planar with increased UV irradiation, demonstrating that pretilt angle distribution can be spatially controlled. These results contribute to establishing a photoalignment method for pretilt angle control.

Three-dimensional silk fibroin scaffolded co-culture of human neuroblastoma and innate immune cells

Neuroblastoma (NB) is the most common pediatric extracranial solid tumor. It accounts for 50 % of cancers diagnosed in infants less than 1 year old, and 10 % of all pediatric cancer deaths in the United States. High-risk patients have a less than 50 % 5-year survival rate with current treatment strategies. The complex tumor microenvironment of NB makes the development of treatment strategies for high-risk patients challenging. There is increasing evidence that intratumoral immune suppression plays an important role in the progression and invasion of NB tumors. Few three-dimensional (3D) cancer models include components of the innate immune system. This work develops a preclinical 3D NB-immune co-culture model using SK-N-AS NB cells, NK-92 natural killer cells, and THP-1 derived macrophages, co-cultured on porous 3D silk scaffolds to provide tumor architecture. Conditioned media and indirect co-culturing showed changes in SK-N-AS gene expression associated with immunoregulatory signaling, and changes in NK-92 gene expression that are associated with reduced cytotoxicity. This motivated the development of a 3D direct co-culture system in which NB cells were seeded prior to immune cells to allow incorporation and deposition of extracellular matrix within the construct. Immune cells were then incorporated into the model to achieve direct co-culture with SK-N-AS cells. Changes in THP-1 macrophage polarization toward a more M2-like phenotype were observed in 3D direct co-culture, as well as altered NK-92 cell protein secretion and cytotoxic activity. Preliminary testing of immunotherapeutics within the model was conducted on both NB-macrophage and NB-NK co-cultures, but the model demonstrated limited response to immunotherapeutics. This work lays the foundation for building high-throughput therapeutic screening models for the improved treatment NB and other solid tumors.

Detection of Faulty Energizations in High Voltage Direct Current Power Cables by Analyzing Leakage Currents

The use of multi-terminal high voltage direct current (HVDC) power transmission systems is being adopted in many new links between different generation and consumption areas due to their high efficiency. In these systems, cable energization must be performed at the rated voltage. Healthy energizations at the rated voltage result in large inrush currents, especially in long cables, primarily due to ground capacitance. State-of-the-art protection functions struggle to distinguish between transients caused by switching and those associated with ground faults, leading to potential unwanted tripping of the protection systems. To prevent this, tripping is usually blocked during the energization transient, which delays fault detection and clearing. This paper presents a novel method for prompt discrimination between healthy and faulty energizations. The proposed method outperforms conventional protection functions as this discrimination allows for earlier and more reliable tripping, thus avoiding extensive damage to the cable and the converter due to trip blocking. The method is based on the transient analysis of the current in the cable shields, therefore, another technical advantage is that high voltage-insulated measuring devices are not required. Two distinct tripping criteria are proposed: one attending to the change in current polarity, and the other to the change in current derivative sign. Extensive computer simulations and laboratory tests confirmed the correct operation in both cases.

A DISEASE-BASED PERSPECTIVE OF THE RELATIONSHIP BETWEEN NEUROINFLAMMATION AND IMPAIRED GLUCOSE METABOLISM

Neuroinflammation is a significant contributor to the pathogenesis of several central nervous system disorders including Alzheimer's Disease, Parkinson's Disease, Huntington's Disease, and amyotrophic lateral sclerosis. Neuroinflammation is the immune response of the central nervous system against central or peripheral abnormalities disturbed by foreign agents, molecules, metabolic activities, or various diseases. Astrocytes and microglia activation are the main activators of neuroinflammation. The polarization changes of these defender cells have some key roles in bodily metabolism as much as neuronal behavior. The blood-brain barrier is known as the first defender of brain parenchyma. Neuroinflammation disrupts blood-brain barrier integrity and may cause blood-brain barrier breakdown. Glucose is the main energy source of brain and glucose uptake is achieved through the blood-brain barrier. Altered glucose metabolism may have detrimental effects on brain functions and may cause brain disorders. Also, it has been suggested that neuroinflammation may have crucial roles in glucose metabolism. The distribution of the blood-brain barrier in vascular endothelial cells of neurons, astrocytes, and microglia contributes to the transport of glucose to the cells of brain. Microglia and astrocyte polarization are suggested as the two main underlying mechanisms in neuroinflammation. It’s obviously determined that neuroinflammation-caused neurodegenerative diseases are tightly linked with the brain insulin resistance and disrupted cerebral and peripheral glucose metabolism. However, there is lacking knowledge about glucose metabolism deficiencies and microglia/astrocyte polarization. Herein this review, we summarized the neuroinflammation and glucose metabolism with the most common neurological diseases and the possible effects of microglia/astrocyte polarization on glucose metabolism.

Intramolecular Charge Transfer Inhibition Strategy toward a Desired Solvatochromic Fluorescent Platform: Visualization of Duple Organelles and Detection of Carbon Dioxide.

Solvatochromic fluorescent probes are crucial molecular tools to investigate and aggregate proteins' fold, visualize fine structures in biomembranes, and label different organelles in dual emission colors. However, solvatochromic fluorogens often displayed a weak emission at high polarity, hindering their bioimaging applications. To resolve this problem, herein, we propose an intramolecular charge transfer (ICT) inhibition strategy. The probe was designed with a single electronic donor and two acceptors in order to split and inhibit the ICT procedure. As a result, the probe displayed an intense emission at both low and high polarities and showed a large emission shift (84 nm) upon polarity change. Using the probe, we successfully imaged lipid droplets and the endoplasmic reticulum in different fluorescence colors. Moreover, the different degrees of lipid accumulation by oleic acid, stearic acid, and cholesterol (oleic acid > stearic acid > cholesterol) have been revealed. The lipid accumulation induced by the three lipids could be rapidly consumed under lipid-less conditions, and the lipids with stearic acid were the most difficult to be consumed. The biological results could facilitate the understanding and treatment of lipid accumulation and obesity. Furthermore, utilizing the polarity increase of diethylamine after the reaction with CO2, the ratiometric detection of CO2 has been achieved for the first time with the probe.

Human microglia polarization following infection with the Lyme disease spirochete.

Infection with Borrelia burgdorferi can spread and cause central nervous system involvement, known as neuroborreliosis. Microglia phagocytose bacteria, mediate inflammation, and elicit an immune response toward the spirochete. Like other tissue macrophages, microglia can polarize into two different modulatory phenotypes, M1 and M2. We explored human microglial polarization changes upon infection with B. burgdorferi. HMC3 human microglia cell line was infected with B. burgdorferi for 24 h. Expression of polarization markers was evaluated via flow cytometry at 4 and 24 h. Secreted immunological mediators were evaluated using a multiplex ELISA system at 4, 18, and 24 h. An early decrease followed by a later increase in expression of M1 polarization marker iNOS was observed at 4 h, and 24 h, respectively. A decrease in M2 marker CX3CR1 occurred at 24 h. There were no changes in expression of M1 markers CD14, or in M2 markers CD163 and CD206. Multiplex ELISA evidenced an increase in secretion of activation markers MIP-1α, MIP- 1β, IP-10, chemotactic factor MCP-1, M1 polarization cytokine IL-8, and VEGF, at 4, 18, and 24 h. A decrease of iNOS at 4 h of infection suggests a diminished production of reactive nitrogen species that are a critical component of innate defense against infection. Increased iNOS and simultaneously decreased expression of CX3CR1 at 24 h, may suggest initiation of neuroprotective regulation of microglia recruitment to neuroinflammation. The dynamics of major inflammatory cytokines appear to be important in the microglial response to B. burgdorferi and should be further studied as these could become therapeutic targets in neuroborreliosis.

Effect of Methyl Red on the surface properties of DTAB in CH3OH–H2O

The purpose of this study is to investigate the effect of Methyl Red (MR) on the micellization and surface properties of a cationic surfactant, dodecyl trimethylammonium bromide (DTAB), in CH3OH–H2O mixed solvent systems at varying CH3OH parts by volumes (0.1, 0.2, 0.3, and 0.4) and temperatures (298.15 K, 308.15 K and 318.15 K). Surface tension and conductivity measurements were conducted to obtain the critical micelle concentration (CMC) and various surface properties such as premicellar slope (dγdlogC), maximum surface concentration (Γmax), minimum surface area occupied (πCMC), free energy of adsorption (ΔGadso), adsorption efficiency (pC20), packing parameter (P), and aggregation number (Nagg). The results indicate that the presence of MR significantly influences the behavior of DTAB in the mixed solvent system. In the absence of MR, the CMC increased with higher CH3OH content, while MR reduced the CMC, promoting micelle formation through dye-surfactant-ion-pair (DSIP) formation. Surface properties were enhanced in the presence of MR leading to higher surface pressure. Additionally, the free energy of adsorption (ΔGadso) became more negative with MR, indicating a more favorable adsorption process. Correlations of (dγdlogC), Γmax,γ0/γcmc, pC20, Nagg, CMC/C20 with the parts by volume of CH3OH at 298.15 K, 308.15 K, and 318.15 K are discussed with and without MR. The obtained results were used to examine the effect of MR on the surface properties of DTAB in the CH3OH–H2O medium. The change in properties can be explained in terms of the change in polarity of the medium and dye-surfactant ion pair (DSIP) formation.

MeerKAT observations of pair-plasma induced birefringence in the double pulsar eclipses

ABSTRACT PSR J0737−3039A/B is unique among double neutron star systems. Its near-perfect edge-on orbit causes the fast spinning pulsar A to be eclipsed by the magnetic field of the slow spinning pulsar B. Using high-sensitivity MeerKAT radio observations combined with updated constraints on the system geometry, we studied the impact of these eclipses on the incident polarization properties of pulsar A. Averaging light curves together after correcting for the rotation of pulsar B revealed enormous amounts of circular polarization and rapid changes in the linear polarization position angle, which occur at phases where emission from pulsar A is partially transmitted through the magnetosphere of pulsar B. These behaviours confirm that the eclipse mechanism is the result of synchrotron absorption in a relativistic pair-plasma confined to the closed-field region of pulsar B’s truncated dipolar magnetic field. We demonstrate that changes in circular polarization handedness throughout the eclipses are directly tied to the average line of sight magnetic field direction of pulsar B, from which we unambiguously determine the complete magnetic and viewing geometry of the pulsar.

Explore the expression of mitochondria-related genes to construct prognostic risk model for ovarian cancer and validate it, so as to provide optimized treatment for ovarian cancer.

The use of gene development data from public database has become a new starting point to explore mitochondrial related gene expression and construct a prognostic prediction model of ovarian cancer. Data were obtained from the TCGA and ICGC databases, and the intersection with mitochondrial genes was used to obtain the differentially expressed genes. q-PCR, Cox proportional risk regression, minimal absolute contraction and selection operator regression analysis were performed to construct the prognostic risk model, and ROC curve was used to evaluate the model for centralized verification. The association between risk scores and clinical features, tumor mutation load, immune cell infiltration, macrophage activation analysis, immunotherapy, and chemosensitivity was further evaluated. A prognostic risk score model for ovarian cancer patients was constructed based on 12 differentially expressed genes. The score was highly correlated with ovarian cancer macrophage infiltration and was a good predictor of the response to immunotherapy. M1 and M2 macrophages in the ovarian tissue in the OV group were significantly activated, providing a reference for the study of the polarity change of tumor-related macrophages for the prognosis and treatment of ovarian cancer. In terms of drug sensitivity, the high-risk group was more sensitive to vinblastine, Acetalax, VX-11e, and PD-0325901, while the low-risk group was more sensitive to Sabutoclax, SB-505124, cisplatin, and erlotinib. The prognostic risk model of ovarian cancer associated to mitochondrial genes built on the basis of public database better evaluated the prognosis of ovarian cancer patients and guided individual treatment.

Novel dual-color fluorescence probe for monitoring the fluctuation of lysosomal polarity and viscosity during apoptosis

Apoptosis is pivotal in the pathogenesis of cancer and various other diseases. Real-time monitoring of apoptosis is crucial for assessing cell viability and facilitating drug screening. The process of apoptosis tends to cause changes in cellular microenvironmental factors. The variations of the microenvironment can serve as an indicator of the degree of apoptosis. Thus, the development of a smart and facile probe responding to cellular microenvironmental factors is significant for visualizing the apoptotic process. In this research, we designed a novel dual-color fluorescent probe, Lyso-DCPV, which incorporates N, N-diethyl coumarin as its polarity-responsive module, and the twisting double bond between N, N-diethyl coumarin and N-propyl quinoline as its viscosity-responsive module. The green fluorescence of Lyso-DCPV is sensitive to polarity changes, diminishing as polarity increases. Conversely, the red fluorescence intensifies with escalating viscosity. The probe specifically targets lysosomes, producing green fluorescence in live cells. Due to Lyso-DCPV’s acute sensitivity to changes in polarity and viscosity, it is well-suited to observe variations in the intracellular lysosomal microenvironment during drug-induced apoptosis. We also employed Lyso-DCPV for the dynamic assessment of polarity and viscosity during peroxide-induced apoptosis, enabling the observation of cell viability through variations in the probe’s emission color and intensity. The distinct probe will pave the way for novel strategies in evaluating apoptosis-related drugs. Moreover, Lyso-DCPV stands as an exemplary molecular instrument to elucidate the interplay between polarity and viscosity, facilitating the exploration of the interrelation in the cellular microenvironment during apoptosis.

Endless optical domain polarization demultiplexing in 2000 km simplified coherent transceiver for long-distance transmission

We demonstrate an endless optical domain polarization demultiplexing scheme that was realized in a 96 Gbaud-PS-16QAM coherent transmission system to alleviate the data processing pressure of the DSP in the receiver. It can be effectively employed in the 140 km fiber link (Metro DCI) and extended to the 2000 km optical fiber networks (Long haul DCI or backbone networks transmission). It can track 10 krad/s state of polarization (SOP) changes following Rayleigh distribution which is the general statistical case for real fibers. The proposed method has a noise tolerance equivalent to that induced by a 2000 km transmission, with OSNR as low as 20 dB, with a maximum PMD of 4 ps and a mean DGD of 2.5 ps.

Role of Intermolecular Interactions in Deep Eutectic Solvents for CO2 Capture: Vibrational Spectroscopy and Quantum Chemical Studies.

Recent research and reviews on CO2 capture methods, along with advancements in industry, have highlighted high costs and energy-intensive nature as the primary limitations of conventional direct air capture and storage (DACS) methods. In response to these challenges, deep eutectic solvents (DESs) have emerged as promising absorbents due to their scalability, selectivity, and lower environmental impact compared to other absorbents. However, the molecular origins of their enhanced thermal stability and selectivity for DAC applications have not been explored before. Therefore, the current study focuses on a comprehensive investigation into the molecular interactions within an alkaline DES composed of potassium hydroxide (KOH) and ethylene glycol (EG). Combining Fourier transform infrared (FT-IR) and quantum chemical calculations, the study reports structural changes and intermolecular interactions induced in EG upon addition of KOH and its implications on CO2 capture. Experimental and computational spectroscopic studies confirm the presence of noncovalent interactions (hydrogen bonds) within both EG and the KOH-EG system and point to the aggregation of ions at higher KOH concentrations. Additionally, molecular electrostatic potential (MESP) surface analysis, natural bond orbital (NBO) analysis, quantum theory of atoms-in-molecules (QTAIM) analysis, and reduced density gradient-noncovalent interaction (RDG-NCI) plot analysis elucidate changes in polarizability, charge distribution, hydrogen bond types, noncovalent interactions, and interaction strengths, respectively. Evaluation of explicit and hybrid models assesses their effectiveness in representing intermolecular interactions. This research enhances our understanding of molecular interactions in the KOH-EG system, which are essential for both the absorption and desorption of CO2. The study also aids in predicting and selecting DES components, optimizing their ratios with salts, and fine-tuning the properties of similar solvents and salts for enhanced CO2 capture efficiency.

Experimental demonstration on the proactive detection of fiber tapping in optical chaos communication.

Optical chaos communication has a physical-layer security advantage but defends passively against a malicious attack. Here, we conduct a proof-of-concept experiment of detecting the attack proactively by observing performance degradation in optical chaos communication tapped with fiber bending. Influences of the curvature radius of the bent fiber on a chaos synchronization coefficient and bit error rate are investigated. Results show that the synchronization coefficient decreases from 0.958 to 0.904 and the bit error rate increases from 1.31 × 10-4 to 1.73 × 10-3 under a curvature radius of 10 mm, revealing the attack. Bending fiber to this extent leads to a power loss of 1.81%, which is difficult to detect by the optical time-domain reflectometer but causes significant interference to chaos communication due to the concurrent change in the light polarization, jointly decreasing the effective optical injection strength for yielding chaos synchronization.