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This paper focuses on the neutron spectrum measurement using a liquid scintillation detector, where the neutron spectrum could be identified and unfolded from the light output distribution of the EJ-301 liquid scintillation detector through a linear artificial neural network (ANN). The response functions of the EJ-301 detector for monoenergetic neutron sources, as well as the light outputs, have been simulated and calculated by Monte Carlo procedure FLUKA. The linear ANN was trained and tested through the simulated data, where response functions were set as the input of ANN and the corresponding neutron spectra were output. Therefore, the neutron spectrum-unfolding model was created. This spectrum-unfolding model was tested through the light outputs induced by monoenergetic neutrons and the random superposition of them. Unfolding results show that this model could identify the information of the neutron spectrum accurately from the light outputs of a liquid scintillation detector. Moreover, the EJ-301 detector was used to measure the radioactivity of 252Cf, and the pulse height distribution induced by neutrons was derived through the charge-comparison method to remove the influence of gamma rays. The measured pulse height distribution was unfolded by the trained model, and measured results show that the unfolded neutron spectrum of 252Cf was consistent with the reference one. This paper presents the feasibility that the unknown neutron spectrum could be identified and confirmed through a linear neural network trained by simulated monoenergetic neutron response functions, which could be a candidate of choice for the determination of the neutron spectrum., (© The Author(s) 2024. Published by Oxford University Press. All rights reserved. For Permissions, please email: journals.permissions@oup.com.)

As an aprotic O-donor ligand, 4,4'-bipyridine N , N '-dioxide (DPO) shows good potential for the preparation of uranyl coordination compounds. In this work, by regulating reactant compositions and synthesis conditions, diverse coordination assembly between uranyl and DPO under different reaction conditions was achieved in the presence of other coexisting O-donors. A total of ten uranyl-DPO compounds, U-DPO-1 to U-DPO-10, have been synthesized by evaporation or hydro/solvothermal treatment, and the possible competition and cooperation of DPO with other O-donors for the formation of these uranyl-DPO compounds are discussed. Starting with an aqueous solution of uranyl nitrate, it is found that an anionic nitrate or hydroxyl group is involved in the coordination sphere of uranyl in U-DPO-1 ((UO 2 )(NO 3 ) 2 (H 2 O) 2 ·(DPO)), U-DPO-2 ((UO 2 )(NO 3 ) 2 (DPO)), and U-DPO-3 ((UO 2 )(DPO)(μ 2 -OH) 2 ), where DPO takes three different kinds of coordination modes, i.e. uncoordinated, monodentate, and biconnected. The utilization of UO 2 (CF 3 SO 3 ) 2 in acetonitrile, instead of an aqueous solution of uranyl nitrate, precludes the participation of nitrate and hydroxyl, and ensures the engagement of DPO ligands (4-5 DPO ligands for each uranyl) in a uranyl coordination sphere of U-DPO-4 ([(UO 2 )(CF 3 SO 3 )(DPO) 2 ](CF 3 SO 3 )), U-DPO-5 ([UO 2 (H 2 O)(DPO) 2 ](CF 3 SO 3 ) 2 ) and U-DPO-6 ([(UO 2 )(DPO) 2.5 ](CF 3 SO 3 ) 2 ). Moreover, when combined with anionic carboxylate ligands, terephthalic acid (H 2 TPA), isophthalic acid (H 2 IPA), and succinic acid (H 2 SA), DPO works well with them to produce four mixed-ligand uranyl compounds with similar structures of two-dimensional (2D) networks or three-dimensional (3D) frameworks, U-DPO-7 ((UO 2 )(TPA)(DPO)), U-DPO-8 ((UO 2 ) 2 (DPO)(IPA) 2 ·0.5H 2 O), U-DPO-9 ((UO 2 )(SA)(DPO)·H 2 O), and U-DPO-10 ((UO 2 ) 2 (μ 2 -OH)(SA) 1.5 (DPO)). Density functional theory (DFT) calculations conducted to probe the bonding features between uranyl ions and different O-donor ligands show that the bonding ability of DPO is better than that of anionic CF 3 SO 3 - , nitrate, and a neutral H 2 O molecule and comparable to that of an anionic carboxylate group. Characterization of physicochemical properties of U-DPO-7 and U-DPO-10 with high phase purity including infrared (IR) spectroscopy, thermogravimetric analysis (TGA), and luminescence properties is also provided., Competing Interests: The authors declare no competing financial interest., (© 2023 The Authors. Published by American Chemical Society.)

The propensity of uranyl for hydrolysis in aqueous environments prevents precise control of uranyl species in the scenarios of on-demand separation and tailored synthesis. Herein, using cucurbit[7]uril (CB[7]) as the macrocyclic molecule and 4,4'-bipyridine-N,N'-dioxide (DPO) as the string molecule, we propose a new kind of multidentate pseudorotaxane ligand, DPO@CB[7] for capturing uranyl species at different pH's. With the aprotic nature of DPO for metal coordination, the coordination ability of the DPO@CB[7] ligand is less affected by pH and can work in a wide range of pH's. Furthermore, by adaptive uranyl coordination, this aprotic pseudorotaxane ligand achieves effective recognition for different uranyl species ranging from monomeric to tetrameric originating from hydrolysis at varying pH's, and four novel uranyl-rotaxane compounds (URC1-4) are successfully obtained. Single-crystal X-ray diffraction analysis reveals that the DPO@CB[7] ligand coordinates with uranyl centers from monomeric to tetrameric in four different modes, as a result of structural flexibility of the DPO@CB[7] pseudorotaxane ligand. A detailed discussion for conformation flexibility of the DPO@CB[7] ligand has been conducted on the position changes of the DPO ligand trapped in the CB[7], which thus reveals good adaptivity of DPO@CB[7] that is noncovalently bonded as a supramolecular motif. In addition, characterization of the physicochemical properties of URC1 and URC2 with high phase purity, including powder X-ray diffraction (PXRD), infrared spectroscopy (IR), thermogravimetric analysis (TGA), and luminescence properties, are also provided. This work provides a good case of an adaptive pseudorotaxane ligand for the recognition and capture of different uranyl species and will bring valuable hints to the design of multifunctional supramolecular ligands for actinide separation in the future.

Purpose: Ultrasound-targeted microbubble destruction (UTMD) has been reported to be a meritorious technique for drug targeting delivery. In this study, we aimed to evaluate the synergistic antiangiogenic effect of UTMD combined with Endostar on triple-negative breast carcinoma tumors., Materials and Methods: The lipid-shelled microbubbles (MBs) conjugated with Endostar were constructed using a biotin-avidin bridging chemistry method, and the morphological characteristics and drug-conjugating content were determined. MBs were administered intravenously to nude mice bearing MDA-MB-231 breast carcinoma xenografts and ultrasound exposure followed. The tumor microcirculation was observed by contrast-enhanced ultrasonography (CEUS) and the Endostar biodistribution was detected by enzyme-linked immunosorbent assay. Twenty-four breast carcinoma-bearing nude mice were divided into four groups. After treatment, every 3 days for 15 days the in vivo antitumor effects were assessed by calculating the tumor growth inhibition rate (TGIR). The tumor microcirculation was observed by CEUS, the tumor microvessel density (MVD) was calculated by immunohistochemistry under a microscope, and the vascular endothelial growth factor (VEGF) gene expression was detected by real-time quantitative polymerase chain reaction., Results: The prepared Endostar-conjugated MBs were round and well-dispersed with a mean size of 2.8 ± 0.7 µm and a drug conjugating content of 800.72 ± 70.53 µg/10 8  MBs. UTMD blocked the tumor microcirculation, and improved Endostar release in the targeted tumor tissue with a drug content of 1.12 ± 0.43 µg/gram protein, which was about three times higher than that in Endostar group or Endostar conjugated MBs group. Endostar-conjugated MBs combined with UTMD treatment achieved the optimal antitumor effects in vivo with a TGIR of 46.29%, and apparent antiangiogenic effects with minimal tumor blood perfusion, MVD and VEGF gene expression level., Conclusion: UTMD can improve Endostar delivery in the targeting tumor tissue and mediate synergistic antiangiogenetic and antitumor effects, which may be a potential therapeutic strategy for refractory breast cancer.

This study was conducted to assess the effects of fertilizing regime and orchard planting age on soil calcium contents and stocks in the apple orchards on the Loess Plateau. The apple orchards in Luochuan County, one of the best regions for apple plantation in the world, were selec-ted in this study. The contents of calcium carbonate,water-soluble calcium and exchangeable cal-cium at 0-100 cm soil layer under different fertilizing regimes and various planting ages were mea-sured, their stocks were calculated and their variation features were analyzed. The results showed that soil in the apple orchards in the study region was characterized by the decline in calcium contents. The decline was more serious in apple orchards with long-term application of chemical fertili-zer than in those with combined application of chemical fertilizer and farmyard manure. The average contents of calcium carbonate, water-soluble calcium and exchangeable calcium at 0-100 cm soil layer in apple orchards with long-term application of chemical fertilizer decreased by 38.8%, 25.4% and 5.6% respectively than those in the apple orchards with long-term application of both chemical fertilizer and farmyard manure. The stocks of calcium carbonate, water-soluble calcium and exchangeable calcium decreased by 36.4%, 26.0% and 4.3%, respectively. The decline of soil cal-cium was aggravated with the increase of orchard planting age. The contents of calcium carbonate, water-soluble calcium and exchangeable calcium at 0-100 cm soil layer in orchards of more than 25 years of planting age decreased by 48.8%, 69.4% and 39.5% respectively, compared with orchards of less than 10 years of planting age, and the stocks decreased by 40.8%, 64.1% and 33.0%, respectively. These results indicated that either long-term application of chemical fertilizer or long-term plantation of apple trees obviously depleted soil calcium carbonate, water-soluble calcium and exchangeable calcium. Therefore, it was recommended that application of chemical fertilizer and farmyard manure should be combined to mitigate soil calcium decline, and calcium management should be strengthened in apple orchards of more than 25 years of planting age. The fertilizing regime was a driving factor of soil calcium decline which had a significant temporal (orchard planting age) and spatial (soil depth) effect.

Reflectance spectroscopy has been widely used for predicting soil properties due to its rapidity and convenience. In past decades, the application of soil spectroscopy on soil science studies has increased exponentially. The total nitrogen (TN) content in soil is an important index for soil fertility and the rapid prediction of TN content with spectroscopy serves an important function in precision agriculture. However, whether the TN content in soil is predicted through its relationship with soil organic carbon (SOC) or on its specific absorption is still debatable. The objective of this study was to explore the mechanism of reflectance spectroscopy for predicting TN in soils. Soils used for calibration were sampled from coastal soil in the north of Jiangsu province. Partial least squares regression (PLSR) analysis was used for the calibration datasets with different TN content when the sample number is the same in every dataset. In order to explore the mechanism of reflectance spectroscopy for predicting total nitrogen in soil, the changes of model accuracies and the correlation of TN and SOC were analyzed. The results indicated that the contents of TN and SOC in soil were relatively lower because the soil was derived from coastal sediments in the past 1 000 years and formed during cultivation. There was strong correlation between TN and SOC (R=0.98). The prediction accuracy of TN increased at first and then decreased slightly with the increase of mean, standard deviation of TN content. Meanwhile, the changes of prediction accuracy comply well with coefficients of variation. In conclusion, when the TN content is relatively low (mean TN<0.27 g·kg-1), the correlation coefficient between TN and SOC was moderately-high and TN was predicted on the basis of N absorbers. When the TN content is relatively high (mean TN>0.29 g·kg-1), strong correlation coefficients were obtained for TN and SOC and the model accuracy of SOC were better than TN. The effect of SOC to spectroscopy enhanced with the increase of SOC content, which masked the spectral features of N. Therefore, TN was predicted through the correlation with SOC when the TN content is high. This study revealed the mechanism of reflectance spectroscopy for predicting TN in soil and it could provide a theoretical basis for predicting soil TN content rapidly using reflectance spectroscopy.

In this work, a novel and facile strategy for making a new type of polymer/silica nanocomposte particle was proposed. Colloidally stable polyvinypyrrolidone (PVP)/silica core-shell nanocomposite particles have been successfully synthesized using an azo initiator via seed polymerization of N-vinyl-2-pyrrolidone (NVP) and VFSs (VFSs) that were derived from vinyl triethoxysilane (VTES). It was suggested from the FTIR and TGA analysis that the copolymerization reaction of NVP with VFSs has been thoroughly carried out. In addition, SEM images showed that PVP/silica nanocomposite particles have relatively rough surface due to surface polymerization in comparison with VFSs. Furthermore, TEM results proved that the size of VFSs had considerable effects on the appearance of PVP/silica nanocomposite particles. Generally, it presented that several silica nanoparticle cores with an average size of 78 nm mainly pack together within each nanocomposite particle after seed polymerization. Interestingly, the average shell thickness was 59 nm for most PVP/silica nanocomposite particles with cores about 242 nm. However, when the core size was large enough to about 504 nm, a series of PVP/silica nanocomposite particles with a relative thin shell were observed.