Impacts of Soil Properties on Species Diversity and Structure in Alternanthera philoxeroides-Invaded and Native Plant Communities.

Soil properties can affect plant population dynamics and the coexistence of native and invasive plants, thus potentially affecting community structure and invasion trends. However, the different impacts of soil physicochemical properties on species diversity and structure in native and invaded plant communities remain unclear. In this study, we established a total of 30 Alternanthera philoxeroides-invaded plots and 30 control plots in an area at the geographical boundary between North and South China. We compared the differences in species composition between the invaded and native plant communities, and we then used the methods of regression analysis, redundancy analysis (RDA), and canonical correspondence analysis (CCA) to examine the impacts of soil physicochemical properties on four α-diversity indices and the species distribution of these two types of communities. We found that A. philoxeroides invasion increased the difference between the importance values of dominant plant species, and the invasion coverage had a negative relationship with the soil-available potassium (R2 = 0.135; p = 0.046) and Patrick richness index (R2 = 0.322; p < 0.001). In the native communities, the species diversity was determined with soil chemical properties, the Patrick richness index, the Simpson dominance index, and the Shannon-Wiener diversity index, which all decreased with the increase in soil pH value, available potassium, organic matter, and ammonium nitrogen. However, in the invaded communities, the species diversity was determined by soil physical properties; the Pielou evenness index increased with increasing non-capillary porosity but decreased with increasing capillary porosity. The determinants of species distribution in the native communities were soil porosity and nitrate nitrogen, while the determinants in the invaded communities were soil bulk density and available potassium. In addition, compared with the native communities, the clustering degree of species distribution in the invaded communities intensified. Our study indicates that species diversity and distribution have significant heterogeneous responses to soil physicochemical properties between A. philoxeroides-invaded and native plant communities. Thus, we need to intensify the monitoring of soil properties in invaded habitats and conduct biotic replacement strategies based on the heterogeneous responses of native and invaded communities to effectively prevent the biotic homogenization that is caused by plant invasions under environmental changes.

Extracellular cancer­associated fibroblasts: A novel subgroup in the cervical cancer microenvironment that exhibits tumor­promoting roles and prognosis biomarker functions.

Tumor invasion and metastasis are the processes that primarily cause adverse outcomes in patients with cervical cancer. Cancer-associated fibroblasts (CAFs), which participate in cancer progression and metastasis, are novel targets for the treatment of tumors. The present study aimed to assess the heterogeneity of CAFs in the cervical cancer microenvironment through single-cell RNA sequencing. After collecting five cervical cancer samples and obtaining the CAF-associated gene sets, the CAFs in the cervical cancer microenvironment were divided into myofibroblastic CAFs and extracellular (ec)CAFs. The ecCAFs appeared with more robust pro-tumorigenic effects than myCAFs according to enrichment analysis. Subsequently, through combining the ecCAF hub genes and bulk gene expression data for cervical cancer obtained from The Cancer Genome Atlas and Gene Ontology databases, univariate Cox regression and least absolute shrinkage and selection operator analyses were performed to establish a CAF-associated risk signature for patients with cancer. The established risk signature demonstrated a stable and strong prognostic capability in both the training and validation cohorts. Subsequently, the association between the risk signature and clinical data was evaluated, and a nomogram to facilitate clinical application was established. The risk score was demonstrated to be associated with both the tumor immune microenvironment and the therapeutic responses. Moreover, the signature also has predictive value for the prognosis of head and neck squamous cell carcinoma, and bladder urothelial carcinoma, which were also associated with human papillomavirus infection. In conclusion, the present study assessed the heterogeneity of CAFs in the cervical cancer microenvironment, and a subgroup of CAFs that may be closely associated with tumor progression was defined. Moreover, a signature based on the hub genes of ecCAFs was shown to have biomarker functionality in terms of predicting survival rates, and therefore this CAF subgroup may become a therapeutic target for cervical cancer in the future.

Efficient Acidic Photoelectrochemical Water Splitting Enabled by Ru Single Atoms Anchored on Hematite Photoanodes.

Photoelectrochemical (PEC) water splitting in acidic media holds promise as an efficient approach to renewable hydrogen production. However, the development of highly active and stable photoanodes under acidic conditions remains a significant challenge. Herein, we demonstrate the remarkable water oxidation performance of Ru single atom decorated hematite (Fe2O3) photoanodes, resulting in a high photocurrent of 1.42 mA cm-2 at 1.23 VRHE under acidic conditions. Comprehensive experimental and theoretical investigations shed light on the mechanisms underlying the superior activity of the Ru-decorated photoanode. The presence of single Ru atoms enhances the separation and transfer of photogenerated carriers, facilitating efficient water oxidation kinetics on the Fe2O3 surface. This is achieved by creating additional energy levels within the Fe2O3 bandgap and optimizing the free adsorption energy of intermediates. These modifications effectively lower the energy barrier of the rate-determining step for water splitting, thereby promoting efficient PEC hydrogen production.

Serum neuronal pentraxin 2 is related to cognitive dysfunction and electroencephalogram slow wave/fast wave frequency ratio in epilepsy.

BACKGROUND: Cognitive dysfunction in epileptic patients is a high-incidence complication. Its mechanism is related to nervous system damage during seizures, but there is no effective diagnostic biomarker. Neuronal pentraxin 2 (NPTX2) is thought to play a vital role in neurotransmission and the maintenance of synaptic plasticity. This study explored how serum NPTX2 and electroencephalogram (EEG) slow wave/fast wave frequency ratio relate to cognitive dysfunction in patients with epilepsy. AIM: To determine if serum NPTX2 could serve as a potential biomarker for diagnosing cognitive impairment in epilepsy patients. METHODS: The participants of this study, conducted from January 2020 to December 2021, comprised 74 epilepsy patients with normal cognitive function (normal group), 37 epilepsy patients with cognitive dysfunction [epilepsy patients with cognitive dysfunction (ECD) group] and 30 healthy people (control group). The mini-mental state examination (MMSE) scale was used to evaluate cognitive function. We determined serum NPTX2 levels using an enzyme-linked immunosorbent kit and calculated the signal value of EEG regions according to the EEG recording. Pearson correlation coefficient was used to analyze the correlation between serum NPTX2 and the MMSE score. RESULTS: The serum NPTX2 level in the control group, normal group and ECD group were 240.00 ± 35.06 pg/mL, 235.80 ± 38.01 pg/mL and 193.80 ± 42.72 pg/mL, respectively. The MMSE score was lowest in the ECD group among the three, while no significant difference was observed between the control and normal groups. In epilepsy patients with cognitive dysfunction, NPTX2 level had a positive correlation with the MMSE score (r = 0.367, P = 0.0253) and a negative correlation with epilepsy duration (r = -0.443, P = 0.0061) and the EEG slow wave/fast wave frequency ratio value in the temporal region (r = -0.339, P = 0.039). CONCLUSION: Serum NPTX2 was found to be related to cognitive dysfunction and the EEG slow wave/fast wave frequency ratio in patients with epilepsy. It is thus a potential biomarker for the diagnosis of cognitive impairment in patients with epilepsy.

Mechanism of Controllable Growth of Large-Area Single-Crystal Hexagonal Boron Nitride on Preoxidized Copper Substrate.

Two-dimensional (2D) hexagonal boron nitride (h-BN) exhibits promising properties for electronic and photoelectric devices, while the growth of high-quality h-BN remains challenging. Here we theoretically explored the mechanism of epitaxial growth of high-quality h-BN by using the preoxidized and hydrogen-annealed copper substrate, i.e., Cu2O. It is revealed thermodynamically that the unidirectional nucleation of h-BN can be rationalized on the symmetry-matched Cu2O(111) surface rather than the antiparallel nucleation on the Cu(111) surface. Kinetically, the dehydrogenation of feedstock of h-BN on the Cu2O(111) surface is also much easier than that on the Cu(111) surface. Both the B and N atoms are energetically more preferred to stay on the surface rather than inside the body of Cu2O, which leads to a surface-diffusion-based growth behavior on the Cu2O(111) surface instead of the precipitation-diffusion mixed case on the Cu(111) surface. Our work may guide future experimental design for the controllable growth of wafer-scale single-crystal h-BN.

Cooperative protection of technical secrets in cultural industry cluster-based on evolutionary game model of leading enterprises and following enterprises.

Due to the confidentiality, value and exclusivity of technical secrets, how to protect the technical secrets within cultural industry clusters has become a paradoxical issue and a research hotspot. Focusing on the collaborative protection of technical secrets within cultural industry clusters, this paper analyzes the strategies of collaborative protection of technical secrets between leading enterprises and following enterprises based on evolutionary game theory, and uses dynamic evolution and simulation methods to identify key factors behind the strategy choices, which further enriches the evolutionary mechanism of collaborative protection, and expands the application scenarios of the theory of evolutionary game. As the research results show, the collaborative protection strategy of technical secrets within cultural industry clusters is feasible, the cost of collaborative protection, government subsidies, and compensation for collaborative deposits are key variables that determine the trend of the game. The government subsidy coefficient, the collaborative deposits, and the difference in the number of technology secrets are strongly sensitive factors underlying the mode of protection, while the synergistic benefits between firms are weakly sensitive factors. Therefore, this paper proposes that increasing government subsidies and collaborative deposits, and reducing the differences in the number of technical secrets among game subjects can promote enterprises to eliminate suspicion and increase their willingness to cooperate in protecting technical secrets.

Significance of Preoperative Nerve Reconstruction Using Diffusion Tensor Imaging Tractography for Facial Nerve Protection in Vestibular Schwannoma.

OBJECTIVE: The facial nerve trace on the ipsilateral side of the vestibular schwannoma was reconstructed by diffusion tensor imaging tractography to identify the adjacent relationship between the facial nerve and the tumor, and to improve the level of intraoperative facial nerve protection. METHODS: The clinical data of 30 cases of unilateral vestibular schwannoma who underwent tumor resection via retrosigmoid approach were collected between January 2019 and December 2020. All cases underwent magnetic resonance imaging examination before operation. Diffusion tensor imaging and anatomical images were used to reconstruct the facial nerve track of the affected side, so as to predict the course of the nerve and its adjacent relationship with the tumor, to compare the actual trace of the facial nerve during operation, verify the degree of coincidence, and evaluate the nerve function (House-Brackmann grade) after surgery. RESULTS: The facial nerve of 27 out of 30 cases could be displayed by diffusion tensor imaging tractography, and the tracking rate was 90% (27/30). The intraoperative locations of facial nerve shown in 25 cases were consistent with the preoperative reconstruction results. The coincidence rate was 92.6% (25/27). The facial nerves were located on the anterior middle part of the tumor in 14 cases, anterior upper part in eight cases, anterior lower part in seven cases, and superior polar in one case. Intraoperative facial nerve anatomy was preserved in 30 cases. Among the 30 patients, total resection was performed in 28 cases and subtotal resection in two cases. The facial nerve function was evaluated 2 weeks after operation, and the results showed grade I in 12 cases, grade II in 16 cases and grade III in two cases. CONCLUSION: Preoperative diffusion tensor imaging tractography can clearly show the trajectory and adjacent position of the facial nerve on the side of vestibular schwannoma, which is beneficial to accurately identify and effectively protect the facial nerve during the operation, and is worthy of clinical application and promotion.

Clinical nursing application of parenteral nutrition combined with enteral nutrition support in neurosurgery.

Background: To explore the clinical nursing effect of parenteral nutrition combined with enteral nutrition support in neurosurgery. Methodology: 200 neurosurgical patients were randomly divided into two groups. The time of parenteral nutrition combined with enteral nutrition support in our hospital (January 2021) was used as the cut-off point, the PN group and the PN+EN group were divided according to the cut-off point. Nutritional status, immune status, occurrence of adverse events, prognosis-related indicators were compared between the two groups. Results: Nutritional status and immune status at 7 days of nutritional support in the PN+EN group were higher than those in the PN group, The difference was statistically significant. The total incidence of adverse events in the PN+EN group (3.00%) was significantly lower than that in the PN group (11.00%), and the difference was statistically significant. The average ICU treatment time, average hospital stay and emerging infection rate in the PN+EN group were lower than those in the PN group, and the differences were statistically significant (P < 0.05). Conclusion: Parenteral nutrition combined with enteral nutrition support in neurosurgery can achieve a more ideal intervention effect. It is beneficial to the prognosis of patients and has a certain value of promotion and application.

Progress on deuterated potassium dihydrogen phosphate (DKDP) crystals for high power laser system application.

In this review, we introduce the progress in the growth of large-aperture DKDP crystals and some aspects of crystal quality including determination of deuterium content, homogeneity of deuterium distribution, residual strains, nonlinear absorption, and laser-induced damage resistance for its application in high power laser system. Large-aperture high-quality DKDP crystal with deuteration level of 70% has been successfully grown by the traditional method, which can fabricate the large single-crystal optics with the size exceeding 400 mm. Neutron diffraction technique is an efficient method to research the deuterium content and 3D residual strains in single crystals. More efforts have been paid in the processes of purity of raw materials, continuous filtration technology, thermal annealing and laser conditioning for increasing the laser-induced damage threshold (LIDT) and these processes enable the currently grown crystals to meet the specifications of the laser system for inertial confinement fusion (ICF), although the laser damage mechanism and laser conditioning mechanism are still not well understood. The advancements on growth of large-aperture high-quality DKDP crystal would support the development of ICF in China.

Response of surface water quality characteristics to socio-economic factors in Eastern-Central China.

Following the implementation of the strictest water resource management system in China, it has become increasingly important to understand and improve the surface water quality and the rate at which water function zones reach the water quality standard. Based on the monthly monitoring data from 450 monitoring sites at the provincial borders of 27 provinces in China in 2019, the overall surface water quality at provincial boundaries in China was evaluated. The Canadian Council of Ministers of the Environment-water quality index (CCME-WQI) showed that the provincial boundary water quality exceeded the fair level, and F1 was the most influential factor. Then, 27 factors that directly or indirectly affect the surface water quality were identified, and the indirect influencing factors were integrated into the ecological environmental quality index and human activities quantitative index. Finally, the 27 factors were integrated into six factors, and the relationship between these indicators and CCME-WQI as well as the concentration of influencing elements with respect to regulatory standard limits were analyzed. The proportion of building land was the most significant factor affecting the quality of the aquatic environment in provincial boundaries. In addition, the economic development level, proportion of farmland, and degree of social development were identified as significant influencing factors. The six factors have different degrees of impact on the concentrations of major elements with respect to standard limits. This study basically explores water resource management and offers significant reference and guidelines for the improvement of the quality of surface water at provincial boundaries in China.

Classification of solid pulmonary nodules using a machine-learning nomogram based on 18F-FDG PET/CT radiomics integrated clinicobiological features.

Background: To develop and validate an 18F-fluorodeoxyglucose (FDG) positron emission tomography/computed tomography (PET/CT) and clinico-biological features-based nomogram for distinguishing solid benign pulmonary nodules (BPNs) from malignant pulmonary nodules (MPNs). Methods: A total of 280 patients with BPN (n=128) or MPN (n=152) were collected retrospectively and randomized into the training set (n=196) and validation set (n=84). Pretherapeutic clinicobiological markers, PET/CT metabolic features and radiomic features were analyzed and selected to develop prediction models by the machine-learning method [Least Absolute Shrinkage and Selection Operator (LASSO) regression]. These prediction models were validated using the area under the curve (AUC) of the receiver-operator characteristic (ROC) analysis and decision curve analysis (DCA). Then, the factors of the model with the optimal predictive efficiency were used to constructed a nomogram to provide a visually quantitative tool for distinguishing BPN from MPN patients. Results: We developed 3 independent models (Clinical Model, Radiomics Model and Combined Model) to distinguish patients with BPN from those with MPN in the training set. The Combined Model was validated to hold the optimal efficiency and clinical utility with the lowest false positive rate (FPR) in classifying the solid pulmonary nodules in two sets (AUCs of 0.91 and 0.94, FPRs of 18.68% and 5.41%, respectively; P<0.05). Thus, the quantitative nomogram was developed based on the Combined Model, and a good consistency between the predictions and the actual observations was validated by the calibration curves. Conclusions: This study presents a machine-learning nomogram integrated clinico-biologico-radiological features that can improve the efficiency and reduce the FPR in the noninvasive differentiation of BPN from MPN.

TikTok browsing for anxiety relief in the preoperative period: A randomized clinical trial.

OBJECTIVE: The purpose of this study was to determine the effect of browsing TikTok for 20 min on patients' preoperative anxiety. METHOD: A randomized controlled trial was conducted at the Department of Anesthesiology of The First Affiliated Hospital, Zhejiang University School of Medicine from January 2021 to March 2021. The 80 patients were randomly divided into two groups. The experimental group browsed TikTok for 20 min, but the control group did not. Preoperative anxiety was measured with the help of the Amsterdam Preoperative Anxiety and Information Scale (APAIS) and anxiety visual analog test (AVAT). Preoperative anxiety, systolic blood pressure (SBP), diastolic blood pressure (DBP) and heart rate (HR) were checked before and after 20 min of TikTok browsing. Patient satisfaction with anesthesia was evaluated as the patient entered and exited the operating room. RESULTS: The pretest APAIS scores, AVAT scores, vital signs and patient satisfaction were similar in both groups (p > 0.05). Compared with the control group, patient anxiety levels and systolic blood pressure decreased significantly after 20 min of TikTok browsing (p < 0.05), and patient satisfaction with anesthesia was significantly higher (p < 0.05). In the experimental group, after patients browsed TikTok for 20 min, all of the physiological and behavioral variables of anxiety were significantly reduced (p < 0.05). CONCLUSIONS: TikTok is a popular, simple, effective, noninvasive and inexpensive method for decreasing preoperative anxiety, and browsing TikTok can lower a patient's blood pressure and heart rate to some extent.

Germinating seed can sense low temperature for the floral transition and vernalization of winter rapeseed (Brassica rapa).

The hybrid production of winter rapeseed is limited by the difficult vernalization processes. Thus, floral regulation of winter rapeseed parental lines cannot be executed through selection of sowing time during hybrid production. Therefore, in this study, strong winter rapeseed was used as the material to analyse the floral transition mechanism of germinating seed vernalization. Results demonstrated that germinating seeds could sense low temperatures and complete vernalization following a low temperature treatment for 56.5 d with a 100 % vernalization rate. The regression equation between vernalization rate (y) and vernalization treatment days (x) was determined as y = 0.019x - 0.0765 (R² = 0.8529). When the vernalization treatment time was prolonged, the vernalization rate and fruiting ability increased rapidly, and variations were observed in the membrane lipid oxidation and physiological characteristics. Furthermore, at the prolonged treatment time of 10-50 d, the salicylic acid (SA) content continued to decrease, with values significantly lower than those of the control. SA content is significantly positively correlated with the level of BrFLC transcription and a significantly negatively correlated with the vernalization rate of germinating seeds. Moreover, the expressions of genes associated with SA biosynthesis, SA signal transduction, the flowering key negative regulators were suppressed and that of positive regulators were promoted during vernalization. These results suggest that SA as a floral repressor is involved in the regulation of the vernalization process of winter rapeseed germination seeds. In addition, SA may be related to the counting dosage of vernalization.

Comparative proteomics analysis reveals the molecular mechanism of enhanced cold tolerance through ROS scavenging in winter rapeseed (Brassica napus L.).

Two winter rapeseed cultivars, "NS" (cold tolerant) and "NF" (cold sensitive), were used to reveal the morphological, physiological, and proteomic characteristics in leaves of plants after treatment at -4°C for 12 h(T1) and 24 h(T2), and at room temperature(T0), to understand the molecular mechanisms of cold tolerance. Antioxidant activity and osmotic adjustment ability were higher, and plasma membrane injury was less obvious, in NS than in NF under cold stress. We detected different abundant proteins (DAPs) related to cold tolerance in winter rapeseed through data-independent acquisition (DIA). Compared with NF, A total of 1,235 and 1,543 DAPs were identified in the NSs under T1 and T2, respectively. Compared with NF, 911 proteins were more abundant in NS only after cold treatment. Some of these proteins were related to ROS scavenging through four metabolic pathways: lysine degradation; phenylalanine, tyrosine, and tryptophan; flavonoid biosynthesis; and ubiquinone and other terpenoid-quinone biosynthesis. Analysis of these proteins in the four candidate pathways revealed that they were rapidly accumulated to quickly enhance ROS scavenging and improve the cold tolerance of NS. These proteins were noticeably more abundant during the early stage of cold stress, which was critical for avoiding ROS damage.

Designed Single Atom Bifunctional Electrocatalysts for Overall Water Splitting: 3d Transition Metal Atoms Doped Borophene Nanosheets.

Single atom catalysts (SAC) for water splitting hold the promise of producing H2 in a highly efficient and economical way. As the performance of SACs depends on the interaction between the adsorbate atom and supporting substrate, developing more efficient SACs with suitable substrates is of significance. In this work, inspired by the successful fabrications of borophene in experiments, we systematically study the hydrogen evolution reaction (HER) and the oxygen evolution reaction (OER) activities of a series of 3d transition metal-based SACs supported by various borophene monolayers (BMs=α_sheet, α1 _sheet, and ß1 _sheet borophene), TM/BMs, using density functional theory calculations and kinetic simulations. All of the TM/BMs systems exhibit superior HER performance compared to Pt with close to zero thermoneutral Gibbs free energy (ΔGH* ) of H adsorption. Furthermore, three Ni-deposited systems, namely, Ni/α_BM, Ni/α1 _BM and Ni/ß1 _BM, were identified to be superior OER catalysts with remarkably reduced overpotentials. Based on these results, Ni/BMs can be expected to serve as stunning bifunctional electrocatalysts for water splitting. This work provides a guideline for developing efficient bifunctional electrocatalysts.

Study on defect-induced damage behaviors of ADP crystals by 355†nm pulsed laser.

High-quality ammonium dihydrogen phosphate (NH4H2PO4, ADP) crystals were grown in Z direction and in defined crystallographic direction (θ=90°, φ=45°) by the rapid growth method, respectively. Defect-induced damage behavior in 355 nm of three types of ADP samples cutting in type-II matching and third harmonic generation direction from the as-grown crystals were investigated, including the initial laser induced damage (LID) characteristics and the physical and chemical properties of defects which serve as the damage precursors. The evaluations of damage behaviors include the "sampling" laser induced damage threshold (LIDT) by 1-on-1 and R-on-1 methods, bulk damage growth and bulk damage morphology. UV-visible transmittance spectrum, ultraviolet absorption spectrum, fluorescence spectrum, positron annihilation spectrum and the online light scattering measurements were carried out to investigate the defect-induced damage behavior in ADP crystals. The study will provide a reference for the investigations on laser induced damage properties of ADP crystals in short wavelength.

Spin Transport Properties of One-Dimensional Benzene Ligand Organobimetallic Sandwich Molecular Wires.

Organometallic sandwich complexes, composed of cyclic hydrocarbon ligands and transition-metal atoms, display unique physical and chemical properties. In this work, the electronic and spin transport properties of one-dimensional (1D) VBz2 ligand bimetallic sandwich complexes, VBz2-TM (TM = Cr, Mn, and Fe), are systematically investigated using density functional theory and nonequilibrium Green's function method. The results show that all the 1D infinite molecular wires [(VBz2)TM]∞ (TM = Cr-Fe) are found to be thermodynamically stable with high binding energies (∼1.0-3.45 eV). In particular, they are predicted to be ferromagnetic half metals. Moreover, the I-V curves exhibit negative differential resistance for one, two, and three VBz2-TM wires at TM = Cr, Mn, and Fe, respectively, which is of great significance for certain electronic applications. Our findings strongly suggest that the benzene ligand bimetallic sandwich molecular wires are good candidates for potential electronics and spintronics.

Comparison of hydrogen vacancies in KDP and ADP crystals: a combination of density functional theory calculations and experiment.

The hydrogen vacancy (VH) is the most common point defect that may lead to optical damage of potassium dihydrogen phosphate (KDP) and its analog ammonium dihydrogen phosphate (ADP), further limiting their practical application in high-power laser systems. In this work, we have grown KDP and ADP crystals by using a rapid growth method, and investigated the physical origin of the different stability of VH as well as the defect-induced electronic structure and optical absorption in KDP and ADP crystals. The inclusion of van der Waals correction to density functional theory calculations is found to have little influence on VH energetics of KDP whereas it largely reduces the charge transition level ε(+/-) of VH by >2 eV in ADP. It is found that hydrogen vacancies mainly contribute to the redshift of the measured absorption edges of both KDP and ADP crystals. Owing to the varied lattice environments and locations, the VH defects exhibit different stability, and electronic and optical properties in KDP and ADP crystals. Notably, the extra optical absorption caused by the positively-charged VH in KDP could be largely reduced by decreasing the defect concentration, whereas ADP exhibits defect-location dependence - the optical damage center of the VH in the NH4+ group could not be eliminated because of electron capture of its neighboring N atoms. The calculation results help us to better understand the origin of laser damage in KDP and ADP crystals.

Stability and electronic structure of hydrogen vacancies in ADP: hybrid DFT with vdW correction.

The formation energies, charge transition levels, and electronic structures of positively charged, neutral, and negatively charged hydrogen vacancies in the NH4H2PO4 (ADP) crystal are investigated in the framework of density functional theory with local and hybrid exchange-correlation functionals. The inclusion of nonlocal exchange opens the ADP fundamental band gap by nearly 1 eV and well reproduces the experimental value. The van der Waals (vdW) interaction is found to have a major influence on the energetics of charged hydrogen vacancies in ADP. The calculated relative stability of and with vdW interaction could well explain the break point on the measured conductivity curve of the ADP crystal in the high temperature region. On the other hand, a missing H atom in the (H2PO4)- group is found to be more energetically preferable than NH4 +. It could capture a hole carrier to form a molecular-type polaron with its adjacent two O atoms, and be responsible for the optical absorption under irradiation by a high-intensity laser beam.

Highly sensitive determination of diclofenac based on resin beads and a novel polyclonal antibody by using flow injection chemiluminescence competitive immunoassay.

A novel flow injection chemiluminescence immunoassay for simple, sensitive and low-cost detection of diclofenac was established based on specific binding of antigen and antibody. Carboxylic resin beads used as solid phase carrier materials provided good biocompatibility and large surface-to-volume ratio for modifying more coating antigen. There was a competitive process between the diclofenac in solution and the immobilized coating antigen to react with the limited binding sites of the polyclonal antibody to form the immunocomplex. The second antibody labelled with horseradish peroxidase was introduced into the immunosensor and trapped by captured polyclonal antibody against diclofenac, which could effectively amplify chemiluminescence signals of luminol-PIP-H2O2. Under optimal conditions, the diclofenac could be detected quantitatively. The chemiluminescence intensity decreased linearly with the logarithm of the diclofenac concentration in the range of 0.1-100ngmL-1 with a detection limit of 0.05ngmL-1 at a signal-to-noise ratio of 3. The immunosensor exhibited high sensitivity, specificity and acceptable stability. This easy-operated and cost-effective analytical method could be valuable for the diclofenac determination in real water samples.