Electrochromism stands out as a highly promising technology for applications including variable optical attenuators, optical switches, transparent displays, and dynamic windows. The pursuit of high-contrast tunability in electrochromic devices remains a challenging goal. Here, the first photochromic hydrogel electrolyte is reported for electro- and photo-dual responsive chromatic devices that yield a high transmittance contrast at 633 nm (ΔT = 83.
View Article and Find Full Text PDFCH is one of the most spectroscopically studied diatomic molecules. The rovibronic spectra of the methylidyne radical (CH) in adiabatic and diabatic representations are obtained based on data, including 12 potential energy curves, 38 dipole moment curves, 79 spin-orbit coupling curves, and 18 electronic angular momentum coupling curves. We employed the internally contracted multireference configuration interaction method including the Davidson correction with the aug-cc-pV(5+d)Z basis set for the C atom and the aug-cc-pV5Z basis set for the H atom.
View Article and Find Full Text PDFTo enhance the electrochemical stability and kinetics of VO, 3,4-ethylenedioxythiophene (EDOT) was polymerized within VO interlayers, rendering PEDOT@VO with enlarged layer spacing, increased stability in organic electrolyte, and superior electrochemical kinetics (bleaching/coloration times 10.9/9.1 s) and cyclability (98.
View Article and Find Full Text PDFRotenone remains an efficient pesticide used extensively in agriculture, leading to neurotoxicity and the increase of the prevalence of Parkinson's disease (PD). Previous studies indicated that Parkin, a neurohomeostasis regulatory factor, and NOD-like receptor protein 3 (NLRP3), a core factor driving the inflammatory response, interacted with each other, which affected neuroinflammation occurrence. However, whether rotenone accelerated PD progression via Parkin-NLRP3 loop and the specific mechanisms were still unclear.
View Article and Find Full Text PDFDue to the pathological production of liver disease in utility particularly complexity, the morbidity and mortality of liver disease including viral hepatitis, liver fibrosis/cirrhosis and hepatocellular carcinoma (HCC) are rapidly increasing worldwide. Considering its insidious onset, rapid progression and drug resistance, finding an effective therapy is particularly worthwhile. L.
View Article and Find Full Text PDFIntegration of solar cells and electrochromic windows offers crucial contributions to green buildings. Solar-charging zinc anode-based electrochromic devices (ZECDs) present opportunities for addressing the solar intermittency issue. However, the limited energy storage capacity of ZECDs results in wasted harnessing of solar energy as well as overcharging.
View Article and Find Full Text PDFPhosphaethyne (HCP) has been detected in circumstellar envelopes; its spectroscopic line list is helpful for modeling the relevant atmospheric opacity. We present the first comprehensive line list for HCP(XΣ) using robust first-principles methods. The analytical potential energy surface and dipole moment surface were constructed based on 26478 points from coupled-cluster calculations, along with the considerations of core-valence electron correlation and scalar relativistic effects.
View Article and Find Full Text PDFAn study of the rovibronic spectra for the cyano radical (CN) based on a diabatic representation is presented. This work considers 17 electronic states, 59 dipole moment curves, 88 spin-orbit coupling curves, and 30 electronic angular momentum coupling curves, which are obtained using the internally contracted multireference configuration interaction method including the Davidson correction (icMRCI + Q) with the aug-cc-pwCV5Z-DK basis set. The diabatic transformations are performed based on a property-based diabatization method to remove the avoided crossings for the DΠ-HΠ and bΠ-2Π pairs.
View Article and Find Full Text PDFPhys Chem Chem Phys
June 2024
The PNO molecule is an important species found in the interstellar medium, and its spectroscopic information is helpful for its detection. We present the first line list of PNO (XΣ) using robust first-principles methods. The analytical potential energy surface and the dipole moment surface were constructed based on 11 942 points.
View Article and Find Full Text PDFHydroboron monoxide (HBO) is expected to occur in envelopes of the asymptotic giant branch (AGB), but a lack of spectroscopic data is hampering its possible detection. Using the state-of-the-art method, we present the first, comprehensive molecular line list for HBO which is suitable for temperatures up to = 3000 K. This new line list covers the wavenumber range of 0-9000 cm (wavelengths of ≥ 1.
View Article and Find Full Text PDFBackground: Anlotinib has demonstrated promising anti-tumor efficacy in various solid tumors. Additionally, there is evidence suggesting that immune therapy can enhance the systemic responses of anlotinib. This study aimed to assess the effectiveness and safety of combining anlotinib with PD-1 inhibitors compared to fluoropyrimidine-based chemotherapy as a second-line treatment option for advanced biliary tract cancers (BTCs).
View Article and Find Full Text PDFThe architectural window with spectrally selective features and radiative cooling is an effective way to save building energy consumption. However, architectural windows that combine both functions are currently based on micro-nano photonic structures, which undoubtedly hinder their commercial application due to the complexity of manufacture. Herein, a novel tunable visible light transmittance radiative cooling smart window (TTRC smart window) with perfect near-infrared (NIR) shielding ability is manufactured via a mass-producible scraping method.
View Article and Find Full Text PDFParticle dispersed coatings with gradient distributions, resulting from either gravity or artificial control, are frequently encountered in practical applications. However, most current studies investigating the optical properties of coatings use the uniform model (uniform single layer assumption), overlooking the gradient distribution effects. Given the pervasiveness of gradient distributions and the widespread use of the uniform model, it is imperative to evaluate applicability conditions of the uniform model in practical applications.
View Article and Find Full Text PDFJ Clin Pediatr Dent
January 2024
This study aims to examine the manifestations of dental anxiety (DA) and its influencing factors during dental visits among preschool children. The data of 166 preschool children who visited the Department of Dentistry of our hospital from April 2021 to April 2023 with oral problems were retrieved. Their DA performance was investigated using the Children's Fear Survey Schedule-Dental Subscale (CFSS-DS).
View Article and Find Full Text PDFBackground: Benzene and its metabolite hydroquinone (HQ) are widely used in daily life, and long-term exposure to benzene or HQ can induce acute myeloid leukemia (AML). Circular RNAs (circRNAs) are mostly produced by reverse splicing of gene exon mRNA precursors. The modulation of circRNA expression is connected to leukemia progression; however, the molecular mechanism is still unknown.
View Article and Find Full Text PDFβ-GaO as an ultra-wide bandgap material is widely used in space missions and nuclear reactor environments. It is well established that the physical properties of β-GaO would be affected by radiation damage and temperature in such application scenarios. Defects are inevitably created in β-GaO upon irradiation and their dynamic evolution is positively correlated with the thermal motion of atoms as temperature increases.
View Article and Find Full Text PDFExtinction and attenuation by particles in an absorbing host have suffered a long-lasting controversy, which has impeded the physical insights on the radiative transfer in the voids dispersed composite. In this paper, we outline the existing extinction definitions, including an equivalence theorem neglecting the host absorption, the near-field analytical definition neglecting the far-field effects, and the operational way which simulates the actual detector readings. It is shown that, under the independent scattering approximation, the generalized operational definition is equivalent to a recent effective medium method according to the rigorous theory of multiple scattering.
View Article and Find Full Text PDFVanadates are a class of the most promising electrochromic materials for displays as their multicolor characteristics. However, the slow switching times and vanadate dissolution issues of recently reported vanadates significantly hinder their diverse practical applications. Herein, novel strategies are developed to design electrochemically stable vanadates having rapid switching times.
View Article and Find Full Text PDFWater dissociation on TiO2 surfaces has been known for decades and holds great potential in various applications, many of which require a proper understanding of thermal transport across the TiO2-H2O interface. Molecular dynamics (MD) simulations play an important role in characterizing complex systems' interfacial thermal transport properties. Nevertheless, due to the imprecision of empirical force field potentials, the interfacial thermal transport mechanism involving water dissociation remains to be determined.
View Article and Find Full Text PDFThe accumulation of exogenous silver nanoparticles (AgNPs) will terminally bring about liver injury, including cell death, where DNA methylation tends to be a crucial epigenetic modulator. The change in the cell autophagy level verified to be closely associated with hepatocyte death has been followed with wide interest. But the molecular toxicological mechanisms of AgNPs in relation to DNA methylation, autophagy, and cell death remain inconclusive.
View Article and Find Full Text PDFThe continuous development of advanced optical devices towards high performance, miniaturization and integration has led to an increasing demand for high refractive index optical materials. Nanocomposites - made from high refractive index inorganic nanoparticles and good processability polymers - combine the advantages of both materials to create a synergistic effect. However, the diversity and complexity of the composites make laboratory preparation less efficient.
View Article and Find Full Text PDFAmong various remote sensing approaches, optical polarization remote sensing shows great advantages in identifying oil-water emulsions in seawater and has become one of the most promising detection technologies. Herein, we focus on exploring the sensitivity of polarized radiative transfer properties for oil emulsion polarization detection to the influence factors of viewing angle, droplet volume fraction and radius, incident wavelength, and emulsion thickness. The radiative properties of seawater droplets dispersed in crude oil are calculated using the improved Lorenz-Mie theory considering the absorption of crude oil as the host medium, after which the reflected Stokes vector and the degree of linear polarization (DOLP) of seawater-in-oil emulsions floating on seawater are obtained using the spectral element method.
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