A molecular descriptor of a shallow potential energy surface for the ground state to achieve narrowband thermally activated delayed fluorescence emission.

Narrowband thermally activated delayed fluorescence (TADF) molecules have extensive applications in optoelectronics, biomedicine, and energy. The full-width at half-maximum (FWHM) holds significant importance in assessing the luminescence efficiency and color purity of TADF molecules. The goal is to achieve efficient and stable TADF emissions by regulating and optimizing the FWHM. However, a bridge from the basic physical parameters (such as geometric structure and reorganization energy) to the macroscopic properties (delayed fluorescence, efficiency, and color purity) is needed and it is highly necessary and urgent to explore the internal mechanisms that influence FWHM. Herein, first-principles calculations coupled with the thermal vibration correlation function (TVCF) theory were performed to study the energy consumption processes of the excited states for the three TADF molecules (2,3-POA, 2,3-DPA, and 2,3-CZ) with different donors; inner physical parameters affecting the FWHM were detected. By analyzing the basic geometric and electronic structures as well as the transition properties and reorganization energies, three main findings in modulating FWHM were obtained, namely a large local excitation (LE) proportion in the first singlet excited state is advantageous in reducing FWHM, a donor group with weak electron-donating ability is beneficial for achieving narrowband emission, and small reorganization energies for the ground state are favorable for reducing FWHM. Thus, wise molecular design strategies to achieve efficient narrowband TADF emission are theoretically proven and proposed. We hope that these results will promote an in-depth understanding of FWHM and accelerate the development of high color purity TADF emitters.

Hybridization of amantadine with gardenamide A enhances NMDA antagonism and in vivo anti-PD effects.

Eight hybrids of amantadine (ATD) with a natural modulator gardenamide A (GA) via an alkylene carbonyl bridge or alkylene bridge have been designed and synthesized. Evaluated by electrophysiological assay, compound 5b was confirmed an enhanced NMDAR antagonist compared to ATD with IC50 value of 10.2 ± 1.2 µM. 5b has been demonstrated to reverse the damages of behavioral performance, the loss of dopaminergic neurons, the reduction of TH positive, and the increase of α-synuclein in both MPTP-treated mice and zebrafish models. In both ethological and ecological experiments, the activity of 5b was confirmed better than ATD or ATD/GA combination, and was almost equal to the positive selegiline. In vivo and in vitro, 5b is shown to reverse the ascend of NR1 and i-NOS levels. This candidate was also demonstrated the activity to down-regulated MPTP-increased Ca2+ influx in SH-SY5Y cells in a steep and sharp mode. It is displayed that 5b exerts neuroprotective effect partly by activating the PI3K/Akt signaling pathway. Taken all together, our data support that 5b is a more promising agent against PD than ATD.

Improving the Capacity of Quantum Dense Coding and the Fidelity of Quantum Teleportation by Weak Measurement and Measurement Reversal.

A protective scheme of quantum dense coding and quantum teleportation of the X-type initial state is proposed in amplitude damping noisy channel with memory using weak measurement and measurement reversal. Compared with the noisy channel without memory, the memory factor improves both the capacity of quantum dense coding and the fidelity of the quantum teleportation to a certain extent for the given damping coefficient. Although the memory factor can inhibit decoherence in some degree, it cannot eliminate it completely. In order to further overcome the influence of the damping coefficient, the weak measurement protective scheme is proposed, which found that the capacity and the fidelity can be efficiently improved by adjusting weak measurement parameter. Another practical conclusion is that, among the three initial states, the weak measurement protective scheme has the best protective effect on the Bell-state in terms of the capacity and the fidelity. For the channel with no memory and full memory, the channel capacity of quantum dense coding reaches two and the fidelity of quantum teleportation reaches one for the bit system; the Bell system can recover the initial state completely with a certain probability. It can be seen that the entanglement of the system can be well protected by the weak measurement scheme, which provides a good support for the realization of quantum communication.

Preparation and Analysis of Two-Dimensional Four-Qubit Entangled States with Photon Polarization and Spatial Path.

Entanglement states serve as the central resource for a number of important applications in quantum information science, including quantum key distribution, quantum precision measurement, and quantum computing. In pursuit of more promising applications, efforts have been made to generate entangled states with more qubits. However, the efficient creation of a high-fidelity multiparticle entanglement remains an outstanding challenge due to the difficulty that increases exponentially with the number of particles. We design an interferometer that is capable of coupling the polarization and spatial paths of photons and prepare 2-D four-qubit GHZ entanglement states. Using quantum state tomography, entanglement witness, and the violation of Ardehali inequality against local realism, the properties of the prepared 2-D four-qubit entangled state are analyzed. The experimental results show that the prepared four-photon system is an entangled state with high fidelity.

Experimental Investigation of the Robustness of a New Bell-Type Inequality of Triphoton GHZ States in Open Systems.

Knowing the level of entanglement robustness against quantum bit loss or decoherence mechanisms is an important issue for any application of quantum information. Fidelity of states can be used to judge whether there is entanglement in multi-particle systems. It is well known that quantum channel security in QKD can be estimated by measuring the robustness of Bell-type inequality against noise. We experimentally investigate a new Bell-type inequality (NBTI) in the three-photon Greenberger-Horne-Zeilinger (GHZ) states with different levels of spin-flip noise. The results show that the fidelity and the degree of violation of the NBTI decrease monotonically with the increase of noise intensity. They also provide a method to judge whether there is entanglement in three-particle mixed states.

Experimentally Demonstrate the Spin-1 Information Entropic Inequality Based on Simulated Photonic Qutrit States.

Quantum correlations of higher-dimensional systems are an important content of quantum information theory and quantum information application. The quantification of quantum correlation of high-dimensional quantum systems is crucial, but difficult. In this paper, using the second-order nonlinear optical effect and multiphoton interference enhancement effect, we experimentally implement the photonic qutrit states and demonstrate the spin-1 information entropic inequality for the first time to quantitative quantum correlation. Our work shows that information entropy is an important way to quantify quantum correlation and quantum information processing.

Effects of Pressure on the Microstructure and Simultaneous Optimization of the Electrical and Thermal Transport Properties of Yb0.5Ba7.5Ga16Ge30.

The thermoelectric (TE) properties of n-type polycrystalline Yb0.5Ba7.5Ga16Ge30 bulks can be optimized by high-pressure and high-temperature (HPHT) sintering. After HPHT sintering, abundant nanograins are randomly distributed in the sample. Grains are refined by HPHT, with the grains being smaller with higher pressure. In comparison with the arc-melted sample, the samples obtained by quenching under high pressure possess a great number of nanograins and lattice structural disorders. Lower thermal conductivity is benefited by our deliberately engineered microstructures via HPHT, and the minimum thermal conductivity is 0.86 W m-1 K-1 at 773 K. The thermal conductivity and electrical properties are optimized simultaneously by raising the reactive sintering pressure. In comparison with the arc-melted sample (0.56), a maximum zT value of 1.13 at 773 K is obtained for the Yb0.5Ba7.5Ga16Ge30 sample fabricated at 5 GPa. This demonstrates that HPHT provides an effective strategy to improve TE performance through simultaneously enhancing electrical and thermal transport properties and should be applicable to other thermoelectric materials.

Molecular basis of behavior problems in young infants.

The molecular bases of behavior problems in young infants are related to genetic and epigenetic determinants of children's behavior. It has been estimated that 7% of preschoolers and 13-20% of school-aged children and adolescents suffer from internalizing and/or externalizing problems. Researchers in the field are involved in the search for specific epigenetic patterns related to the prenatal environment using cutting-edge approaches like the candidate gene, the genome-wide, and epigenome-wide approaches. The present review article will discuss all these latest innovations in order to better understand molecular bases of behavior problems in young infants that shall definitely result in better treatment planning.

Genipin Derivatives Protect RGC-5 from Sodium Nitroprusside-Induced Nitrosative Stress.

CHR20 and CHR21 are a pair of stable diastereoisomers derived from genipin. These stereoisomers are activators of neuronal nitric oxide synthase (nNOS) and endothelial nitric oxide synthase (eNOS). In the rat retinal ganglion (RGC-5) cell model these compounds are non-toxic. Treatment of RGC-5 with 750 µM of sodium nitroprusside (SNP) produces nitrosative stress. Both genipin derivatives, however, protect these cells against SNP-induced apoptic cell death, although CHR21 is significantly more potent than CHR20 in this regard. With Western blotting we showed that the observed neuroprotection is primarily due to the activation of protein kinase B (Akt)/eNOS and extracellular signal-regulated kinase (ERK1/2) signaling pathways. Therefore, LY294002 (a phosphatidylinositol 3-kinase (PI3K) inhibitor) or PD98059 (a MAPK-activating enzyme inhibitor) abrogated the protective effects of CHR20 and CHR21. Altogether, our results show that in our experimental setup neuroprotection by the diasteromeric pair is mediated through the PI3K/Akt/eNOS and ERK1/2 signaling pathways. Further studies are needed to establish the potential of these compounds to prevent ntric oxide (NO)-induced toxicity commonly seen in many neurodegenerative diseases.

Gardenamide A Protects RGC-5 Cells from H2O2-Induced Oxidative Stress Insults by Activating PI3K/Akt/eNOS Signaling Pathway.

Gardenamide A (GA) protects the rat retinal ganglion (RGC-5) cells against cell apoptosis induced by H2O2. The protective effect of GA was completely abrogated by the specific phosphoinositide 3-kinase (PI3K) inhibitor LY294002, and the specific protein kinase B (Akt) inhibitor Akt VIII respectively, indicating that the protective mechanism of GA is mediated by the PI3K/Akt signaling pathway. The specific extracellular signal-regulated kinase (ERK1/2) inhibitor PD98059 could not block the neuroprotection of GA. GA attenuated the levels of reactive oxygen species (ROS) and malondialdehyde (MDA) induced by H2O2. Western blotting showed that GA promoted the phosphorylation of ERK1/2, Akt and endothelial nitric oxide synthase (eNOS), respectively, and effectively reversed the H2O2-inhibited phosphorylation of these three proteins. LY294002 completely inhibited the GA-activated phosphorylation of Akt, while only partially inhibiting eNOS. This evidence implies that eNOS may be activated directly by GA. PD98059 attenuated only partially the GA-induced phosphorylation of ERK1/2 with/without the presence of H2O2, indicating that GA may activate ERK1/2 directly. All these results put together confirm that GA protects RGC-5 cells from H2O2 insults via the activation of PI3K/Akt/eNOS signaling pathway. Whether the ERK1/2 signaling pathway is involved requires further investigations.

Chemically Bonding of Amantadine with Gardenamide A Enhances the Neuroprotective Effects against Corticosterone-Induced Insults in PC12 Cells.

Two amantadine (ATD)-gardenamide A (GA) ligands have been designed and synthesized. The bonding of ATD with GA through a methylene carbonyl brigde (L1) enhances the neuroprotective effect against corticosterone (CORT)-induced impairments in PC12 cells; while the bonding through a succinyl brigde (L2) does not. L1 reduces the level of reactive oxygen species (ROS) and cell apoptosis generated by CORT. It restores CORT-changed cell morphology to a state that is closed to normal PC12 cells. One mechanism of L1 to attenuate CORT-induced cell apoptosis is through the adjustment of both caspase-3 and Bcl-2 proteins. Like GA, both nNOS and eNOS might be involved in the neuroprotective mechanism of L1. All the evidences suggest that L1 may be a potential agent to treat depression.

Photoluminescence studies of SiC/SiO2 aloetic-shaped nanowires.

Room- and variable-temperature photoluminescence from 3C-SiC aloetic-shaped nanowires was presented. The SiC nanowires were prepared on Si(100) substrates by the reaction of methane with silicon dioxide. Scanning electron microscope (SEM) and X-ray diffraction (XRD) are used to characterization the nanowires. A green photoluminescence (PL) band centered at 2.34 eV is observed in the nanowires at room temperature. The results from variable-temperature photoluminescence show anomalous temperature dependencies of the spectral characteristics. The emission intensity increases with decreasing temperature until reaching an intensity maximum at about 155 K, then it decreases at lower temperatures. The emission energy has little shift following temperature variations. The anomalous temperature dependencies of PL results may be explained by quantum confinement effect and phonon participation in the emission process.

Predicting the current and future distribution of Monochamus carolinensis (Coleoptera: Cerambycidae) based on the maximum entropy model.

BACKGROUND: Monochamus carolinensis is an important vector of pinewood nematodes in North America that is under quarantine in several countries worldwide. The distribution of M. carolinensis was previously thought to be limited to North America; however, we discovered it during trapping in China in 2022. Using this discovery and information regarding the area of origin, we applied a machine-learning algorithm based on the maximum entropy principle to predict the current and future (2050s, 2070s) potential distribution areas of M. carolinensis using bioclimatic variables. RESULTS: The biological suitability of M. carolinensis was mainly driven by precipitation factors (BIO18, BIO15, BIO19), with 87.18% of the potential distribution areas located in South America, Asia, North America and Africa. Future potential distribution areas of M. carolinensis are predicted to expand to high latitudes, with an average increase of 10 245 874.88 km2 , and only 6.89% of the current suitable areas will become unsuitable. The potential distribution areas in 2070 are largest under the SSP585 scenario, with a 41.40% predicted increase (52 309 803.61 km2 ) above the current distribution, mainly reflecting an increase of the marginally and highly suitable areas. CONCLUSION: The determination of dominant climatic factors and potential distribution areas will help provide an early warning for an M. carolinensis invasion, as well as provide a scientific basis for the spread and outbreak, facilitating development of effective governmental prevention and control measures. © 2023 Society of Chemical Industry.

Future Trends in Obolodiplosis robiniae Distribution across Eurasian Continent under Global Climate Change.

Obolodiplosis robiniae was discovered in Eurasia at the beginning of the 21st century. In this study, we explore the present and future (in the years 2050 and 2070) trends in the potential distribution of O. robiniae in Eurasia under diverse climate change scenarios based on a maximum entropy model. Our findings indicated that the current potential distribution area of O. robiniae is within the range of 21°34' and 65°39' N in the Eurasian continent. The primary factor controlling the distribution of O. robiniae is temperature. The highly and moderately suitable areas are mainly distributed in the semi-humid and semi-arid regions, which also happen to be the locations where the host black locust (Robinia pseudoacacia L.) grows at its fastest rate. The forecast of the potential distribution area of O. robiniae revealed that the species would benefit from global warming. The region suitable for the habitat of O. robiniae is characterized by a large-scale northward expansion trend and an increase in temperature. This information would help the forestry quarantine departments of Asian and European countries provide early warnings on the probable distribution areas of O. robiniae and provide a scientific basis for the prevention and control of O. robiniae spread and outbreaks.

Fluorescence turn-on Cu2-xSe@HA-rhodamine 6G FRET nanoprobe for hyaluronidase detection and imaging.

The application of nanostructures to design fluorescence resonance energy transfer (FRET) based sensing platforms has been greatly concerned with the demand for sensitive and selective detection of biomolecules. Here, a novel sensitive turn-on fluorescence strategy based on the FRET mechanism has been designed for hyaluronidase (HAase) detection through the modulation of Cu2-xSe@HA-Rh6G nanoprobe fabricated by self-assembly of rhodamine 6G (Rh6G) together with Cu2-xSe@HA nanoparticles through electrostatic adsorption. The Cu2-xSe@HA had extensive localized surface plasma resonance (LSPR) absorption in the wide range of ultraviolet (UV) to near-infrared (NIR) wavelengths and showed good light capture characteristics, which can be acted as good acceptors in the FRET interactions with Rh6G, inducing its efficient fluorescence quenching. In the presence of HAase, the FRET process was disrupted and the fluorescence signal was recovered. In the range of 0.1-10.0 U/mL, the fluorescence recovery of Rh6G showed a good linear relationship with the concentration of HAase, and the detection limit was 0.06 U/mL. The sensing platform has been used for HAase detection in real urine samples and cancer cells imaging.

Molecular Thermal Motion Modulated Room-Temperature Phosphorescence for Multilevel Encryption.

The stimulus-responsive room-temperature phosphorescence (RTP) materials have become an increasingly significant topic in the fields of bioimaging, sensing, and anticounterfeiting. However, this kind of materials is scarce to date, especially for the ones with delicate stimulus-responsive behavior. Herein, a universal strategy for multilevel thermal erasure of RTP via chromatographic separation of host-guest doping RTP systems is proposed. The tunable host-guest systems, matrix materials, heating temperature, and time are demonstrated to allow precise six-level data encryption, QR code encryption, and thermochromic phosphorescence encryption. Mechanistic study reveals that the thermal-responsive property might be attributed to molecular thermal motion and the separation effect of the silica gel, which provides expanded applications of host-guest RTP materials such as cold chain break detection. This work offers a simple yet universal way to construct advanced responsive RTP materials.

Quarantine supervision of Wood Packaging Materials (WPM) at Chinese ports of entry from 2003 to 2016.

Exotic pests have caused huge losses to agriculture, forestry, and human health. Analyzing information on all concerned pest species and their origin will help to improve the inspection procedures and will help to clarify the relative risks of imported cargo and formulate international trade policies. Records of intercepted pests from wood packaging materials (WPM) from 2003 to 2016 in the China Port Information Network (CPIN) database were analyzed. Results showed that the number of intercepted pests from WPM was lowest in the first quarter and highest in the fourth one. The total number of interceptions increased each year, with 53.33% of intercepted insects followed by nematodes (31.54%). The original continent of most intercepted pests was Asia (49.29%). Xylophagous insects were primarily intercepted from Southeast Asian countries, whereas nematodes were primarily intercepted from Korea, Australia, Mexico, and other countries. WPM interception records were mainly concentrated in China's coastal inspection stations (98.7%), with the largest number of interceptions documented in Shanghai, followed by the inspection stations of Jiangsu Province. The proportion of pest taxa intercepted by the Chinese provinces' stations each year is becoming increasingly balanced. The number of pest disposal treatment measures for intercepted cargoes with dead non-quarantine pests increased significantly from 2012 to 2016. This reflects the fact that Chinese customs inspection stations are becoming increasingly scientific and standardizing the interception and treatment of WPM pests. The issues reflected in the database, with a view to providing a reference for future work by customs officers and researchers.

HPHT Synthesis: Effects of the Synergy of Pressure Regulation and Atom Filling on the Microstructure and Thermoelectric Properties of Yb x Ba8-x Ga16Ge30.

Type-I clathrate compounds Yb x Ba8-x Ga16Ge30 have been synthesized by the high-pressure and high-temperature (HPHT) method rapidly. The effects of the synergy of atom filling and pressure regulation on the microstructure and thermal and electrical properties have been investigated. With the content of Yb atom increasing, the carrier concentration is improved, the electrical resistivity and the absolute Seebeck coefficient are decreased, while the thermal conductivity is reduced significantly. A series of extremely low lattice thermal conductivities are achieved, attributed to the enhancement of multiscale phonon scattering for the "rattling" of the filled guest atoms, the heterogeneous distribution of nano- and microstructures, grain boundaries, abundant lattice distortions, lattice deformations, and dislocations. As a result, a maximum ZT of about 1.07 at 873 K has achieved for the Yb0.5Ba7.5Ga16Ge30 sample.

Two-dimensional Tunable Dirac/Weyl Semimetal in Non-Abelian Gauge Field.

Three-dimensional(3D) Weyl semimetal(WSM) with linear energy spectra has attracted significant interest. Especially they have been observed experimentally in several solid materials with the breaking of inversion symmetry. Here we predict a new family of particle-hole([Formula: see text]) invariant 2D WSMs in the non-Abelian gauge field, which can emerge in the low energy bands being close to Fermi energy (dubbed Weyl-I) and the high energy bands being away from Fermi energy (dubbed Weyl-II), only when the time-reversal symmetry([Formula: see text]) of the 2D Dirac semimetal is broken in the presence of in-plane Zeeman fields. Moreover, a 2D Dirac node can split into a pair of Weyl nodes showing the same Berry phase, and the 2D WSM, being protected by [Formula: see text] symmetry, exhibits four Weyl-I nodes, whose energies are invariant with the variation of the magnetic field. The corresponding Fermi velocity and Berry connection have been calculated. Based on the 2D WSMs, we also examine inhomogeneous pairings of attractive Fermi gases and find a new kind of the LO states with the beat frequency. This 2D WSM provides a realistic and promising platform for exploring and manipulating exotic Weyl physics, which may increase the experimental feasibility in the context of ultracold atoms.

Efficacy of levetiracetam combined with sodium valproate on pediatric epilepsy and its effect on serum miR-106b in children.

Efficacy of levetiracetam (LEV) combined with sodium valproate (SV) on pediatric epilepsy and its effect on serum miR-106b in children were investigated. One hundred and twenty children with epilepsy in Xuzhou Children's Hospital from July 2015 to July 2017 were enrolled, and divided into control group (n=60) and observation group (n=60) according to random sampling. Additionally, 100 children undergoing normal physical examination were collected as normal group. Patients in the control group were treated with SV, and patients in the observation group were treated with SV and LEV. RT-qPCR was used for detecting the relative expression of serum miR-106b in children. The clinical efficacy was evaluated. After treatment, the relative expression of serum miR-106b in the control group was significantly higher than that in the observation group (P<0.05). The difference in the control group was smaller than that in the observation group (P<0.05). According to the ROC curve analysis, when the cut-off value was 1.442, the sensitivity, specificity and area under curve (AUC) of miR-106b in the diagnosis of pediatric epilepsy were 94.00, 64.17 and 0.833 respectively. The clinical efficacy in the observation group was significantly better than that in the control group (P<0.05). Spearman's test showed that the expression of miR-106b gradually decreased with the continuous improvement of the clinical efficacy (P<0.05). The AUC of miR-106b was 0.833, 95% CI: 0.779 to 0.887, the cut-off was 1.442. LEV combined with SV is effective in the treatment of children with epilepsy, and does not increase the clinical ADR. The expression of serum miR-106b in children can be used as a clinical prognostic indicator and a potential diagnostic indicator.