Image2InChI: Automated Molecular Optical Image Recognition.

The accurate identification and analysis of chemical structures in molecular images are prerequisites of artificial intelligence for drug discovery. It is important to efficiently and automatically convert molecular images into machine-readable representations. Therefore, in this paper, we propose an automated molecular optical image recognition model based on deep learning, called Image2InChI. Additionally, the proposed Image2InChI introduces a novel feature fusion network with attention to integrate image patch and InChI prediction. The improved SwinTransformer as an encoder and the Transformer Decoder as a decoder with patch embedding are applied to predict the image features for the corresponding InChI. The experimental results showed that the Image2InChI model achieves an accuracy of InChI (InChI acc) of 99.8%, a Morgan FP of 94.1%, an accuracy of maximum common structures (MCS acc) of 94.8%, and an accuracy of longest common subsequence (LCS acc) of 96.2%. The experiments demonstrated that the proposed Image2InChI model improves the accuracy and efficiency of molecular image recognition and provided a valuable reference about optical chemical structure recognition for InChI.

Thermally Stable Phosphor KBa2(PO3)5:Eu2+ with Broad-Band Cyan Emission Caused by Multisite Occupancy of Eu2.

The relationship between the structure and properties is always a hot topic in the luminescent material field. In this work, a new phosphor KBa2(PO3)5:Eu2+ (KBP:Eu) was prepared by a high-temperature solid-state reaction method and characterized by X-ray diffraction, energy-dispersive X-ray spectroscopy, photoluminescence (PL), and electroluminescence studies. The polyphosphate host KBP offers three lattice environments (K1, Ba1, and Ba2) for Eu2+ ions to realize broad-band emission from 380 to 700 nm under 345 nm excitation. The distributions of Eu2+ in the three lattice sites can be proven by low-temperature PL and transient fluorescence spectroscopy. Furthermore, temperature-dependent luminescence studies for phosphor KBP:0.02Eu reveal that its luminescence intensity at 150 °C retains about 97% of the initial value at 25 °C. By composing a 365 nm UV chip and KBP:0.02Eu, CaAlSiN3:Eu2+ phosphors, a warm white-light-emitting diode (WLED) was obtained with a correlated color temperature of 5146 K and chromaticity coordinates (0.3404, 0.3384). Therefore, KBP:Eu phosphor is a potential cyan-emitting phosphor used for high-power WLEDs.

Biological Spiking Synapse Constructed from Solution Processed Bimetal Core-Shell Nanoparticle Based Composites.

Inspired by the highly parallel processing power and low energy consumption of the biological nervous system, the development of a neuromorphic computing paradigm to mimic brain-like behaviors with electronic components based artificial synapses may play key roles to eliminate the von Neumann bottleneck. Random resistive access memory (RRAM) is suitable for artificial synapse due to its tunable bidirectional switching behavior. In this work, a biological spiking synapse is developed with solution processed Au@Ag core-shell nanoparticle (NP)-based RRAM. The device shows highly controllable bistable resistive switching behavior due to the favorable Ag ions migration and filament formation in the composite film, and the good charge trapping and transport property of Au@Ag NPs. Moreover, comprehensive synaptic functions of biosynapse including paired-pulse depression, paired-pulse facilitation, post-tetanic potentiation, spike-time-dependent plasticity, and the transformation from short-term plasticity to long-term plasticity are emulated. This work demonstrates that the solution processed bimetal core-shell nanoparticle-based biological spiking synapse provides great potential for the further creation of a neuromorphic computing system.

[Determination of potassium in farmland soil using laser-induced breakdown spectroscopy].

The real-time measurement of potassium in farmland soil has great importance. A method to determine the potassium content in farmland soil based on laser-induced breakdown spectroscopy (LIBS) was studied using a LIBS equipment consisting of a 1,064 nm laser generator and a high resolution spectrometer. The farmland soil samples with potassium content in the range of 8.74-34.56 g.kg-1 were analyzed. The 766.49 nm was chosen as the analysis line, by comparing the potassium atom characteristic lines of 404.40, 404.72, 766.49 and 769.90 nm. The errors of characteristic line strength caused by the laser stability and random noise was analyzed. The silicon, which is nearly constant in farmland soil, was chosen as the standard element, and a calibration model between the ratio of potassium to silicon (K/Si) and the potassium content was established. The linear fitting degree of the calibration curve was 0.935, and the relative standard deviation of the calibration model for prediction set samples was 9.26%.

BaLa5V2O3N7: a novel anti-perovskite oxynitride for electrode applications.

The exploration of transition metal oxynitrides has garnered significant interest due to their intriguing property diversity. Herein, we present a promising new transition metal oxynitride BaLa5V2O3N7, which features an anti-perovskite structure type. This unique structural configuration endows the material with remarkable conductivity, particularly at low temperatures, paving the way for the material to be used in a wide range of technological applications.

[Laser-induced fluorescence spectroscopy characterization of farmland soil moisture content].

Online measurement of soil moisture is significant for agricultural production. The abundance and deficiency of leaf water shortage has been able to effect measured by fluorescence, but the research of correlation between soil moisture and laser-induced fluorescence spectroscopy has not been carried out yet. In this paper, the relationship between laser-induced plant chlorophyll fluorescence and soil moisture was studied. In the experiment with rice as the research object, the chlorophyll fluorescence induced by a 450 nm LED light source was measured by a Y-shaped fiber probe, and the soil moisture was obtained by TDR sensors. The changes in the peak intensity near 743 nm of chlorophyll fluorescence under continuous water stress and intermittent water stress were studied. The result showed that the intensity decreased with the soil moisture content. Finally, the model between the soil water content and the intensity of chlorophyll fluorescence under continuous water stress was created by using Lorentzian equation, and the coefficient of determination (R2) of the model was high. The result indicated that the method mentioned in paper can be applied to measure soil moisture in agricultural production.

Novel charm of 2D materials engineering in memristor: when electronics encounter layered morphology.

The family of two-dimensional (2D) materials composed of atomically thin layers connected via van der Waals interactions has attracted much curiosity due to a variety of intriguing physical, optical, and electrical characteristics. The significance of analyzing statistics on electrical devices and circuits based on 2D materials is seldom underestimated. Certain requirements must be met to deliver scientific knowledge that is beneficial in the field of 2D electronics: synthesis and fabrication must occur at the wafer level, variations in morphology and lattice alterations must be visible and statistically verified, and device dimensions must be appropriate. The authors discussed the most recent significant concerns of 2D materials in the provided prose and attempted to highlight the prerequisites for synthesis, yield, and mechanism behind device-to-device variability, reliability, and durability benchmarking under memristors characteristics; they also indexed some useful approaches that have already been reported to be advantageous in large-scale production. Commercial applications, on the other hand, will necessitate further effort.

Synthesis and luminescence properties of new nitridolithosilicate phosphor La4Ba3Li3Si9N19:Pr3+ grown in Li flux.

Flux synthesis is an effective method to discover large crystals of new compounds. In this paper, a solid-state reaction in Li flux produced a new nitridolithosilicate La4Ba3Li3Si9N19 in the orthorhombic space group Cmcm (No. 63) with lattice parameters of a = 9.7263(1), b = 18.2746(2), c = 11.2929(1) Å, and Z = 4. The La4Ba3Li3Si9N19 exhibits a 3-D framework based on triangular clusters (3-rings) formed by vertex-sharing SiN4 tetrahedra. The rare earth Pr3+-doped La4Ba3Li3Si9N19 emits a narrow-band red emission peaking at approximately 640 nm with a full width at half-maximum of 50 nm when excited under ultraviolet light.

[Aerobic Granular Sludge Operation and Nutrient Removal Mechanism from Domestic Sewage in an Anaerobic/Aerobic Alternating Continuous Flow System].

Mature aerobic granular sludge was inoculated at room temperature in an anaerobic/aerobic alternating continuous flow system. The system consisted of two independent anaerobic and aerobic tanks. Actual domestic sewage was used as the influent to explore the influence of the gas intensity and hydraulic residence time on the continuous flow system. The results revealed that the conditions of a reflux ratio of 2, lower aeration intensity (0.6 mL·min-1), and proper hydraulic residence time (9 h) were more conducive to the removal of pollutants. Under such conditions, the average removal rate of TP was 80.43%, the average removal rate of TN was 83.6%, the average removal rate of COD was 90.39%, the sludge concentration was approximately 2100 mg·L-1, the sludge volume index was maintained below 50 mL·g-1, and the particle size was 700-800 nm. The EEM-PARAFAC model was used to characterize and analyze the EPS at different stages. The results revealed that changing the parameters could change the composition of EPS. The hydraulic residence time had a greater impact on the continuous flow system than the aeration intensity. In addition, a preliminary conceptual reaction process model in the anaerobic/aerobic alternating continuous flow system was built using high-throughput pyrosequencing and phylogenetic assignment. Eleven major functional bacteria related to nitrogen and phosphorus removal were found in the system.

Crystal structure, theoretical studies and luminescent properties of a new borate Na3GdB8O15 with one-dimensional broad-banded anionic framework.

Inorganic borate compounds exhibit significant diversity in their structure types, which are associated with interesting optical and magnetic properties. In our work, a new rare-earth polyborate Na3GdB8O15 was prepared with an infinite one-dimensional (1D) broad-banded framework of [B8O15]∞ running along the a-axis, in which large Gd3+ and Na+ ions reside to ensure cohesion and neutrality of the structure. The basic fundamental building block (FBB) of [B8O15]∞ is B16O32, which is composed of five BO3 and three BO4 groups and can be written as 5Δ3□: 〈2Δ□〉-〈Δ2□〉〈2Δ□〉. First principle studies reveal that Na3GdB8O15 is an indirect bandgap semiconductor and the optical absorption at 280 nm originates from the O2-→ Gd3+ transition. Solid solutions of Na3Gd1-xCexB8O15 and Na3Gd0.98-yYyCe0.02B8O15 were prepared and exhibited a bluish violet emissive luminescence by near-UV excitation due to the 5d1→ 4f1 transition of Ce3+. Substitution of Gd3+ by Y3+ enhanced the luminescence efficiency and significantly improved the thermal stability. At 423 K, the luminescence intensity of Na3Gd0.58Y0.4Ce0.02B8O15 remained 77% of that at 298 K. We hypothesize that Na3GdB8O15 is a potential inorganic luminescent host matrix.

A UV damage-sensing nociceptive device for bionic applications.

Artificial limbs have been widely investigated in the past several decades, and multifuncional bionic limbs have already been constructed. However, due the lack of nociceptive systems, amputees still cannot feel ubiquitous noxious stimuli through bionic limbs. The construction of artificial nociceptors can bring bionic limbs closer to real flesh and bone. In daily life, UV irradiation is an invisible potential noxious stimulus to human skin and eyes. Furthermore, it is well known that the synthetic polymers widely used in bionic limbs can be degraded by UV radiation, accelerating their aging. Based on the above, UV damage-sensing nociceptors could be a feasible strategy to solve these existing problems. Here, azobenzene-functionalized gold nanoparticles (Azo-Au NPs) are embedded in insulating poly(methyl methacrylate) (PMMA) to construct a two-terminal memristor. With UV irradiation as a light damage medium, major nociceptive behaviors such as "threshold", "relaxation" and "sensitization" are successfully emulated, demonstrating its potential application as a nociceptive system.

A new disordered langbeinite-type compound, K2Tb1.5Ta0.5P3O12, and Eu3+-doped multicolour light-emitting properties.

For the first time, a new langbeinite-type phosphate, namely potassium terbium tantalum tris(phosphate), K2Tb1.5Ta0.5(PO4)3, has been prepared successfully using a high-temperature flux method and has been structurally characterized by single-crystal X-ray diffraction. The results show that its structure can be described as a three-dimensional open framework of [Tb1.5Ta0.5(PO4)3]∞ interconnected by K+ ions. The TbIII and TaV cations in the structure are disordered and occupy the same crystallographic sites. The IR spectrum, the UV-Vis spectrum, the morphology and the Eu3+-activated photoluminescence spectroscopic properties were studied. A series of Eu3+-doped phosphors, i.e. K2Tb1.5-xTa0.5(PO4)3:xEu3+ (x = 0.01, 0.03, 0.05, 0.07, 0.10), were prepared via a solid-state reaction and the photoluminescence properties were studied. The results show that under near-UV excitation, the luminescence colour can be tuned from green through yellow to red by simply adjusting the Eu3+ concentration from 0 to 0.1, because of the efficient Tb3+→Eu3+ energy-transfer mechanism.

A novel stibium phosphate, LiBa(SbO)2(PO4)3: synthesis, crystal structure and RE3+-activated (RE = Tb3+ and Eu3+) fluorescence performance.

A new stibium phosphate, lithium barium bis(antimony oxide) tris(phosphate), LiBa(SbO)2(PO4)3, was prepared by the molten salt method with LiF as the flux. The crystal structure consists of an original three-dimensional anionic framework of [(SbO)2(PO4)3]∞ built from PO4 tetrahedra sharing their corners with SbO6 octahedra. This framework delimits one-dimensional tunnels where the lithium(I) and barium(II) ions are located. The UV-Vis spectrum shows that LiBa(SbO)2(PO4)3 was transparent from 350 to 800 nm, and is thus suitable as a luminescent host matrix. We then used Tb3+ and Eu3+ activators to test its luminous performance and the purities of the prepared phosphors were studied by powder X-ray diffraction analysis with Rietveld refinements. Photoluminescence (PL) studies reveal that the emission spectra of 1 mol% RE3+-doped (RE = Tb and Eu) samples can be excited by 371 and 394 nm light, emitting green and orange-red light, respectively, for Tb3+ and Eu3+. The CIE coordinates were measured to be (0.295, 0.571) and (0.6027, 0.3967), and the luminescent lifetimes were calculated as 0.178 and 1.159 ms, respectively.

Novel tantalum phosphate Na13Sr2Ta2(PO4)9: synthesis, crystal structure, DFT calculations and Dy3+-activated fluorescence performance.

A new tantalum phosphate, tridecasodium distrontium ditantalum nonaphosphate, Na13Sr2Ta2(PO4)9, was prepared using the high-temperature flux method. The structure can be described as a three-dimensional open framework containing isolated [TaV2(PO4)9]17- units that are interlocked by Na and Sr ions. Band structure studies by the first-principles method revealed that Na13Sr2Ta2(PO4)9 is an insulator with an indirect band gap of 4.78 eV, which makes it suitable as a luminescent host matrix. A series of solid solutions, i.e. Na13Sr2-xTa2(PO4)9:xDy3+ (x = 0.01, 0.02, 0.04, 0.06, 0.08, 0.1, 0.12 and 0.14), were prepared and their photoluminescence properties studied. Under 350 nm light excitation, these emit two typical emissions of the Dy3+ ion, i.e. the 4F9/2→6H15/2 transition centred at 476 nm and the 4F9/2→6H13/2 transition centred at 570 nm.

Phylogenetic studies of two Anas platyrhynchos (Anatini: Anatinae) in Hunan province of China based on complete mitochondrial DNA sequences.

In this study, we cloned and sequenced the complete mitochondrial DNAs of Chinese duck, Anas platyrhynchos, population from two different areas of Hunan province in China. The Anas platyrhynchos breed Linwu duck (LW) sample was taken from the Linwu county of Chenzhou city, and the Anas platyrhynchos breed Youxian duck (YX) sample was taken from the Youxian county of Zhuzhou city. The lengths of their complete mitochondrial genome were 16,604 bp (LW) and 16,606 bp (YX), respectively. The organization of the two Anas platyrhynchos breed mitochondrial genomes was similar to those reported from other duck mitochondrial genomes. Phylogenetic analyses using N-J computational algorithms showed that the analyzed species are divided into four major clades: Anatinae, Anserinae, Dendrocygninae and Anseranatidae. Also, the Linwu duck and Youxian duck have highly similar phylogenetic relationship.

Determination and analysis of the complete mitochondrial genome sequence of Yanling white goose.

In this study, the complete mitochondrial genome sequence of the Yanling white goose was reported in Human Province first, which was determined through PCR-based method. The total length of the mitogenome is 16,742 bp. It contains the typical structure, including 2 ribosomal RNA genes, 22 transfer RNA genes, 13 protein-coding genes and 1 non-coding control region (D-loop region) as that of most other vertebrates. The overall composition of the mitogenome was estimated to be 30.22% for A, 22.70% for T, 32.02% for C and 15.07% for G. All the protein initiation codons are ATG, except for COX1, COX2 and ND5 are GTG, ND6 is CTA. The complete mitochondrial genome sequence of the Yanling white goose in Human Province provides an important data set for the study in genetic mechanism of poultry.

The complete mitochondrial genome of the Xupu goose.

Xupu goose is one of the famous native breed in China. In this work we reported the complete mitochondrial genome sequence of the Xupu goose in Hunan Province for the first time. The total length of the mitogenome is 16,742 bp, with the base composition of 30.21% for A, 22.70% for T, 32.02% for C, 15.08% for G, in the order C > A > T > G feature occurring in the Xupu goose. And it is made up of two ribosomal RNA genes, 13 protein-coding genes, 22 transfer RNA genes and a non-coding control region (D-loop region). The characteristics of the mitochondrial genome were analyzed and discussed in detail. The complete mitochondrial genome sequence of Xupu goose will be useful for the phylogenetics of poultry, and be available as basic data for the genetics and breeding.

The complete mitochondrial genome of the Linwu duck.

In this study, the complete mitochondrial genome sequence of the Linwu duck was first reported in Human Province, which was determined through PCR-based method. Linwu duck is one of the famous native breed in China. The total length of the mitogenome is 16,604 bp, with the base composition of 29.20% for A, 22.21% for T, 32.82% for C, 15.78% for G, in the order C > A > T > G feature occurring in the Linwu duck. It is made up of 2 ribosomal RNA genes, 13 protein-coding genes, 22 transfer RNA genes and one non-coding control region (D-loop region). The complete mitochondrial genome sequence of the Linwu duck in Human Province provides an important data for further study about genetic mechanism and breeding.

The complete mitochondrial genome of the Youxian duck.

Youxian duck is one of the famous native breed in China. In this work we reported the complete mitochondrial genome sequence of the Youxian duck in Human Province for the first time. The total length of the mitogenome is 16,606 bp, with the base composition of 29.21% for A, 22.18% for T, 32.83% for C, 15.78% for G, in the order C > A > T > G feature occurring in the Youxian duck. It is made up of two ribosomal RNA genes, 13 protein-coding genes, 22 transfer RNA genes and one non-coding control region (D-loop region). The complete mitochondrial genome sequence of Youxian duck will be useful for the phylogenetics of poultry, and be available as basic data for the genetics and breeding.

Determination and analysis of the complete mitochondrial genome sequence of Wugangtong grey goose.

Mitochondrial DNA plays an important role in living organisms. In this study, the complete mitochondrial genome sequence of the Wugangtong grey goose was reported in Human Province first, which was determined through PCR-based method. The total length of the mitogenome is 16,740 bp. It contains the typical structure, including 2 ribosomal RNA genes, 22 transfer RNA genes, 13 protein-coding genes and 1 non-coding control region (D-loop region) as that of most other vertebrates. The overall composition of the mitogenome was estimated to be 30.22% for A, 22.67% for T, 32.05% for C and 15.07% for G. All the protein initiation codons are ATG, except for COX1, COX2 and ND5 are GTG, ND6 is CTA. The complete mitochondrial genome sequence of the Wugangtong grey goose will provides an important data set for the study in genetic mechanism of goose in Hunan province.