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Gradually aggravated disease caused by phytopathogenic bacteria severely restricts food security and crop yield, and few pesticides can relieve this severe situation. Thus, development and excavation of new agrochemicals with high bioactivity and novel action mechanism may be a feasible strategy to control intractable bacterial diseases. As a privileged molecular framework, steroid molecules exhibit diversiform bioactivities. Herein, a series of novel androst-4-ene derivatives were designed, synthesised and investigated for their antibacterial behaviour to excavate novel agrochemicals on the base of steroid molecules.Bioassay results indicated that target compounds displayed high bioactivities toward three destructive phytopathogenic bacteria, including Xanthomonas oryzae pv. oryzae (Xoo), Xanthomonas axonopodis pv. citri (Xac) and Pseudomonas syringae pv. actinidiae (Psa). Compound IIIGiven these profiles of target compounds, we highlight a new strategy for controlling intractable plant bacterial diseases by inducing plant resistance and targeting the bacterial cell membrane. © 2022 Society of Chemical Industry.

To unceasingly expand the molecular diversity of 1,3,4-oxadiazole-2-carbohydrazides, herein, small fragments (including -CH

Purpose: This article investigated patient clinical data to establish a nomogram to predict the success rate of patients with small bowel obstruction relief by ileus tube.Methods: We identified 210 patients with small bowel obstruction treated with ileus tube (January 2014 to January 2020) from a prospectively collected database. Among them, 117 cases were successfully relieved (Successful group), and 93 cases failed (Failure group).Results: The Successful group had a higher age and body mass index, as well as a shorter time from obstruction to insertion than the failure group before insertion of the ileus tube. White blood cell, neutrophil, red blood cell distribution width and neutrophil-to-lymphocyte ratio were lower in the successful group after insertion of the ileus tube. In addition, white blood cell, neutrophil, and neutrophil-to-lymphocyte ratio decreased in the successful group after insertion. However, the result was the opposite in the Failure group. The success rate of paralytic ileus was the highest (79.4%). Patients with fecal stone ileus had the most rapid ventilation and defecation times. Multivariate analysis showed that the platelet-change, albumin after insertion, time from obstruction to insertion and obstruction factors were independent factors influencing the success rate of ileus tube insertion. In addition, we established nomograms to predict the success rate of patients with small bowel obstruction relief by ileus tube (C-index=0.753).Conclusion: This nomogram can effectively predict whether patients can successfully relieve obstruction by ileus tube, which provides convenience for clinical treatment.

The increase of neutron flux in pulsed spallation neutron facilities imposes demands on the neutron detector for beam monitoring, including excellent neutron/gamma discrimination, wide dynamic neutron-flux measurement range, wavelength resolution, and long-term stability. In this paper, we developed a ceramic GEM-based (gas electron multiplier) neutron detector with an active area of 100 mm × 100 mm. It adopted a thinner conversion material and the stopping layer to lower the detection efficiency so as to extend the dynamic measurement range of the detector. The detection efficiency of this detector was investigated by the Monte Carlo (MC) tool FLUKA, showing that the low efficiency around 0.01% for 1 Åneutrons was reached by using a 0.1 μm natB4C converter appended with an aluminum film of 2 μm thickness. Its validation of the wavelength spectra measurement was verified by comparisons with that made with an LND monitor, and it could work at the condition of 7.1 × 109 n/s for 2.5 Åneutrons. In addition, it was demonstrated that this detector was able to measure the beam profile with a position resolution of better than 2.1 ± 0.1 mm. The results of simulations and experiments show that this ceramic-GEM neutron detector can meet the requirements of the direct measurement of high-flux beam, and it will be a new neutron detector for the beam monitoring at the China spallation neutron source (CSNS).

Polynitrogen molecules and ions are important building blocks of high energy density compounds (HEDCs). High energy bonds formed at the N sites can be effectively probed by X-ray photoelectron spectroscopy (XPS) at the N K-edge. In this work, with the density functional theory and the ΔKohn-Sham scheme, we simulated the N1s ionic potentials (IPs) of 72 common polynitrogen molecules [tetrazoles, pentazole (N

Background: Nasointestinal tubes (NITs) have been increasingly used in patients with small bowel obstruction (SBO); However, severe adverse events (SAEs) of NITs might threaten the lives of patients. The indications of NITs need to be identified. This study was designed to explore the indications for the insertion of NITs in patients with SBO and to suggest the optimal strategies for individuals based on the outcomes of SAEs.Methods: After propensity score matching, 68 pairs were included (Success group and failure group). The occurrence of SAEs and the clinical parameters were compared between the SAE group and the non-SAE group. Independent risk factors were evaluated among the subgroups. A novel scoring system was established to detect the subgroups that would benefit from NITs insertion.Results: Successful implementation of NITs could avoid hypochloremia (p=0.010), SAEs (p=0.001), pneumonia (p=0.006). SAEs occurred in 13 of 136 (9.6%) patients who accepted NITs insertion treatment. Risk factors for SAEs included tumors (p=0.002), reduced BMI (p=0.048), reduced hemoglobin (p=0.001), abnormal activated partial thromboplastin time (p=0.015) and elevated white blood cells (p=0.002). A novel risk scoring system consists of hemoglobin before NITs insertion (95% CI: 0.685, 0.893) and bowel obstruction symptoms relieved after NITs insertion (95% CI: 0.575, 0.900) had the highest area under curve (AUC) for predicting the occurrence of SAEs. We divided the risk score system into 3 grades, with the increasing grades, the rates of SAEs surged from 1.3% (1/74) to (6/11) 54.5%.Conclusion: NITs successfully insertion could avoid SAEs occurrence in SBO conservative treatment. SBO patients without anemia and could be relieved after NITs insertion could be the potential benefit group for this therapy.

BackgroundNasointestinal tubes (NITs) have been increasingly used in patients with small bowel obstruction (SBO); However, severe adverse events (SAEs) of NITs might threaten the lives of patients. The indications of NITs need to be identified. This study was designed to explore the indications for the insertion of NITs in patients with SBO and to suggest the optimal strategies for individuals based on the outcomes of SAEs.MethodsAfter propensity score matching, 68 pairs were included (Success group and failure group). The occurrence of SAEs and the clinical parameters were compared between the SAE group and the non-SAE group. Independent risk factors were evaluated among the subgroups. A novel scoring system was established to detect the subgroups that would benefit from NITs insertion.ResultsSuccessful implementation of NITs could avoid hypochloremia (p = 0.010), SAEs (p = 0.001), pneumonia (p = 0.006). SAEs occurred in 13 of 136 (9.6%) patients who accepted NITs insertion treatment. Risk factors for SAEs included tumors (p = 0.002), reduced BMI (p = 0.048), reduced hemoglobin (p = 0.001), abnormal activated partial thromboplastin time (p = 0.015) and elevated white blood cells (p = 0.002). A novel risk scoring system consists of hemoglobin before NITs insertion (95% CI 0.685, 0.893) and bowel obstruction symptoms relieved after NITs insertion (95% CI 0.575, 0.900) had the highest area under curve for predicting the occurrence of SAEs. We divided the risk score system into 3 grades, with the increasing grades, the rates of SAEs surged from 1.3% (1/74) to (6/11) 54.5%.ConclusionNITs successfully insertion could avoid SAEs occurrence in SBO conservative treatment. SBO patients without anemia and could be relieved after NITs insertion could be the potential benefit group for this therapy.

Background Distinguishing strangulated bowel obstruction (StBO) from simple bowel obstruction (SiBO) still poses a challenge for emergency surgeons. We aimed to construct a predictive model that could distinctly discriminate StBO from SiBO based on the degree of bowel ischemia. Methods The patients diagnosed with intestinal obstruction were enrolled and divided into SiBO group and StBO group. Binary logistic regression was applied to identify independent risk factors, and then predictive models based on radiological and multi-dimensional models were constructed. Receiver operating characteristic (ROC) curves and the area under the curve (AUC) were calculated to assess the accuracy of the predicted models. Via stratification analysis, we validated the multi-dimensional model in the prediction of transmural necrosis both in the training set and validation set. Results Of the 281 patients with SBO, 45 (16.0%) were found to have StBO, while 236(84.0%) with SiBO. The AUC of the radiological model was 0.706 (95%CI, 0.617–0.795). In the multivariate analysis, seven risk factors including pain duration ≤ 3 days (OR = 3.775), rebound tenderness (OR = 5.201), low-to-absent bowel sounds (OR = 5.006), low levels of potassium (OR = 3.696) and sodium (OR = 3.753), high levels of BUN (OR = 4.349), high radiological score (OR = 11.264) were identified. The AUC of the multi-dimensional model was 0.857(95%CI, 0.793–0.920). In the stratification analysis, the proportion of patients with transmural necrosis was significantly greater in the high-risk group (24%) than in the medium-risk group (3%). No transmural necrosis was found in the low-risk group. The AUC of the validation set was 0.910 (95%CI, 0.843–0.976). None of patients in the low-risk and medium-risk score group suffered with StBO. However, all patients with bowel ischemia (12%) and necrosis (24%) were resorted into high-risk score group. Conclusion The novel multi-dimensional model offers a useful tool for predicting StBO. Clinical management could be performed according to the multivariate score.

Developing multipurpose agricultural chemicals is appealing in crop protection, thus eventually realizing the reduction and efficient usage of pesticides. Herein, an array of versatile pyrazole hydrazide derivatives bearing a 1,3,4-oxadiazole core were initially synthesized and biologically evaluated the antifungal, antioomycetes, and antibacterial activities. In addition, the pyrazole ring was replaced by the correlative pyrrole, thiazole, and indole scaffolds to extend the molecular diversity. The results showed that most of these hybrid compounds were empowered with multifunctional bioactivities, which are exemplified by compounds a1-a6, b1-b3, b7, b10, b13, and b18. For the antifungal activity, the minimal EC50 values could afford 0.47 (a2), 1.05 (a2), 0.65 (a1), and 1.32 μg/mL (b3) against the corresponding fungi Gibberella zeae (G. z.), Fusarium oxysporum, Botryosphaeria dothidea, and Rhizoctonia solani. In vivo pot experiments against corn scab (caused by G. z.) revealed that the compound a2 was effective with protective and curative activities of 90.2 and 86.3% at 200 μg/mL, which was comparable to those of fungicides boscalid and fluopyram. Further molecular docking study and enzymatic activity analysis (IC50 = 3.21 μM, a2) indicated that target compounds were promising succinate dehydrogenase inhibitors. Additionally, compounds b2 and a4 yielded superior anti-oomycete and antibacterial activities toward Phytophora infestins and Xanthomonas oryzae pv. oryzae with EC50 values of 2.92 and 8.43 μg/mL, respectively. In vivo trials against rice bacterial blight provided the control efficiency within 51.2-55.3% (a4) at 200 μg/mL, which were better than that of bismerthiazol. Given their multipurpose characteristics, these structures should be positively explored as agricultural chemicals.

In this paper, the six C32 isomers which were of crucial importance in the manufacture of new electronic components were identified by X-ray photoelectron spectroscopy (XPS) and near-edge X-ray absorption fine structure (NEXAFS). For the discernment, geometry optimizations of the six isomers have been carried out, and the C1s XPS and NEXAFS spectra have been simulated in the frame of density functional theory (DFT). XPS spectra, as accurately reflection of different chemical environments where a particular element was located, provided an effective way to identify the six isomers of C32. The NEXAFS spectra, which were commonly used in the electronic structure detection, captured information of unoccupied orbital and showed many recognizable characteristics. To further investigate the source of spectral features, the spectral components calculated from different types of carbon atoms in each C32 isomer also have been well explored and discussed.

We performed a density functional theory (DFT) study on X-ray photoelectron (XPS) and absorption (XAS) spectra of graphitic carbon nitride (g-C3N4) nanosheets at the N and C K-edges. A combined cluster-periodic approach was employed to calculate XPS spectra, in which the core ionic potential (IP) of the solid 2D material was computed by subtracting the work function (obtained with periodic conditions) from the gas phase IP (obtained with large cluster models). With amino-terminated supermolecules of different sizes, we obtained convergent spectra and provide new assignments for 5 nitrogen [1 sp2; 4 sp3 (bridging, tertiary, and primary/secondary amino nitrogens)] and 4 carbon (all bonded with three nitrogens) local structures. A good agreement with experiments was obtained, with the N1s (C1s) main peak position differing by 0.1-0.2 eV (0.5-0.8 eV). Our simulations show that N1s XPS of pure g-C3N4 contains only two major features at 398.6 and 401.2 eV, contributed from sp2-N and sp3-N, respectively. The chemical shifts of all sp3-N are so close (deviating by 0.3-0.6 eV) that terminal amino groups -NHx (x = 1, 2) will only be distinguished in high-resolution measurements. In C1s XPS, all carbons show similar (deviation < 0.2 eV) IPs, as determined by the same nearest neighbors. We further excluded the effect of shake-up satellites that may change our XPS interpretations by equivalent core hole time-dependent DFT (ECH-TDDFT) simulations. The effect of vibronic coupling is small (redistribution is only 0.1-0.3 eV to the higher-energy region) in the N1s edge as estimated from the asymmetric main peak shape, and negligible in the C1s edge. Quicker size convergence was found in XAS than XPS. In N1s XAS, we identified a weak π* spectral feature at 400-401 eV for both -NHx and tertiary nitrogens. Our study provides a clear theoretical reference for X-ray spectral fingerprints of different local structures, which is useful for analysis of g-C3N4 based materials with various designed or unavoidable structural modifications. We also highlight our combined cluster-periodic approach in calculating the K-edge XPS spectra of general 2D materials which predicts accurate absolute values.

A copper-catalyzed DTBP oxidative dual C-H sulfurization has been developed for the direct thiocarbamation of imidazopyridines using a combination of elemental sulfur and formamides as carbamothioyl surrogates. NBS (bromo succinimide) was found to promote the thiocarbamation in good yields. This dual C-H sulfurization strategy enables access to a wide range of carbamothioyl imidazoheterocycles without the use of highly toxic phosgene.

The X-ray photoelectron spectroscopy (XPS) and near-edge X-ray absorption fine structure (NEXAFS) spectroscopy of the carbon K-edge for the two nano onion-like fullerenes (NOLFs) C20@C80 isomers have been in theory performed by density functional theory (DFT) method. We have especially focussed on the structure-spectroscopy relationship by exploring in detail and analyzing systematically the calculated spectra. Both the XPS and NEXAFS spectra show dependence on molecular structures, so these two spectroscopic techniques can be used to identify the two NOLFs C20@C80 isomers. Meanwhile, the spectral components of each C20@C80 isomer based on the local environment of carbon atoms have been calculated at the same level. Furthermore, we have tested the feasibility of using the building block (BB) approach to quickly estimate the XPS and NEXAFS spectra in the NOLFs C20@C80 system. Results show that applying the BB approach is impossible to predict the direct calculated results for the NOLFs C20@C80. Additionally, fullerene C100(D2) as an isomer of C20@C80 can be distinguished from the two C20@C80 isomers by the XPS and NEXAFS spectra.

The six most stable isomers of C36 fullerene (8Cs-C36, 9C2v-C36, 11C2-C36, 12C2-C36, 14D2d-C36, 15D6h-C36) have been distinguished in theory by analysing their C1s X-ray photoelectron spectroscopy ...

Background: Colorectal cancer is the lethal cancer in the world, due to the low tumor mutation burden and low proportion of tumor-infiltrating lymphocytes in the microenvironment of most patients, innovative immunotherapeutic approaches need to be identified. Methods: Using TCGA-COAD dataset (n = 514), we identified TNFRSF11B as a prognostic factor of colon cancer. Immunohistochemistry (IHC) dataset (n = 86), 290 single colorectal cancer cells (GSE81861) and 31 paired colon cancer transcriptional dataset were further applied to validate the function of TNFRSF11B, which was confirmed via fluorescence-activated cell sorting (FACS) analysis. Results: A risk scores system consisting of eight IRGs was constructed to predict the prognosis of colon cancer patients. Only TNFRSF11B correlated with TNM-stage, lymph node metastasis and prognosis. In our IHC dataset, High TNFRSF11B expression had a later TNM-stage, higher frequency of lymph node and lymphovascular invasion. Six genes (KRT18, ARPC5L, ACTG1, ARPC2, EZR, YWHAZ) related to pathogenic E. coli. infection were simultaneously increased with TNFRSF11B overexpression via GESA analysis. Finally, only activated memory CD4+ T cells (p =0.017) were significantly decreased in high TNFRSF11B expression group, which was supported by our FACS findings that TNFRSF11B downregulate the immune activity of central memory CD4 + T cells and effector memory CD4+ T cells (all p

The near-edge X-ray absorption fine structure (NEXAFS) spectra and the X-ray photoelectron spectroscopy (XPS), as well as the geometrical structures of two C86 isomers (C86(16), C86(17)) and their ...

We performed a density functional theory (DFT) study on X-ray photoelectron (XPS) and absorption (XAS) spectra of graphitic carbon nitride (g-C3N4) nanosheets at the N and C K-edges. A combined cluster-periodic approach was employed to calculate XPS spectra, in which the core ionic potential (IP) of the solid 2D material was computed by subtracting the work function (obtained with periodic conditions) from the gas phase IP (obtained with large cluster models). With amino-terminated supermolecules of different sizes, we obtained convergent spectra and provide new assignments for 5 nitrogen [1 sp2; 4 sp3 (bridging, tertiary, and primary/secondary amino nitrogens)] and 4 carbon (all bonded with three nitrogens) local structures. A good agreement with experiments was obtained, with the N1s (C1s) main peak position differing by 0.1-0.2 eV (0.5-0.8 eV). Our simulations show that N1s XPS of pure g-C3N4 contains only two major features at 398.6 and 401.2 eV, contributed from sp2-N and sp3-N, respectively. The chemical shifts of all sp3-N are so close (deviating by 0.3-0.6 eV) that terminal amino groups -NHx (x = 1, 2) will only be distinguished in high-resolution measurements. In C1s XPS, all carbons show similar (deviation0.2 eV) IPs, as determined by the same nearest neighbors. We further excluded the effect of shake-up satellites that may change our XPS interpretations by equivalent core hole time-dependent DFT (ECH-TDDFT) simulations. The effect of vibronic coupling is small (redistribution is only 0.1-0.3 eV to the higher-energy region) in the N1s edge as estimated from the asymmetric main peak shape, and negligible in the C1s edge. Quicker size convergence was found in XAS than XPS. In N1s XAS, we identified a weak π* spectral feature at 400-401 eV for both -NHx and tertiary nitrogens. Our study provides a clear theoretical reference for X-ray spectral fingerprints of different local structures, which is useful for analysis of g-C3N4 based materials with various designed or unavoidable structural modifications. We also highlight our combined cluster-periodic approach in calculating the K-edge XPS spectra of general 2D materials which predicts accurate absolute values.

XPS and NEXAFS spectra of four stable C40 isomers [29(C2), 31(Cs), 38(D2), and 39(D5d)] have been investigated theoretically. We combined density functional theory and the full core hole potential method to simulate C 1s XPS and NEXAFS spectra for nonequivalent carbon atoms of four stable C40 fullerene isomers. The NEXAFS showed obvious dependence on the four C40 isomers, and XPS spectra are distinct for all four isomers, which can be employed to identify the four stable structures of C40. Furthermore, the individual components of the spectra according to different categories have been investigated, and the relationship between the spectra and the local structures of C atoms was also explored.

This review summarizes recent development in C—H alkylation of N-heteroarenes via the radical oxidative coupling process. A variety of alkyl radical sources (including alkanes, ethers, alcohols, carboxylic acids, organoboranes, and some other alkane derivatives) for C—H alkylation of N-heteroarenes are reviewed.

1,4-Diazabicyclo[2.2.2]octane (DABCO) was found to be an effective reagent for decarboxylative acylation of carboxylic acids with carbamic chlorides or alkyl carbonochloridates. In the absence of metal catalyst, carboxylic acids including α-ketocarboxylic, cinnamic and arylpropiolic acids underwent the decarboxylative acylation smoothly to afford a variety of α-keto (or α,β-unsaturated) amides and esters in good to excellent yields.

A copper/air mediated oxidative coupling reaction of imidazoheterocycles with N-aryl glycine esters is here described. The reaction proceeded effectively under an air atmosphere without the use of peroxide agents. This simple protocol allows for the preparation of a wide range of imidazoheterocycles with a glycine ester motif, which are of great interest in the field of medicinal chemistry. Interestingly, the coupling of imidazo[1,2-a]pyridine with secondary or tertiary α-amino phenylethanone selectively affords the imidazo[1,2-a]pyridin-3-yl imine or imidazo[1,2-a]pyridin-3-yl diketone in the presence of CuCl and TBHP (tertbutyl hydroperoxide).

Dual C–H thiolation reactions using elemental sulphur remain a challenge. This communication discloses an oxidative radical dual sp2/sp3 C–H thiolation strategy for the coupling of imidazopyridines with ethers or alkanes using elemental sulphur.

BACKGROUND Obstructive colorectal cancer (OCC) is always accompanied by severe complications, and the optimal strategy for patients with OCC remains undetermined. Different from emergency surgery (ES), self-expandable metal stents (SEMS) as a bridge to surgery (BTS), could increase the likelihood of primary anastomosis. However, the stent failure and related complications might give rise to a high recurrence rate. Few studies have focused on the indications for either method, and the relationship between preoperative inflammation indexes and the prognosis of OCC is still underestimated. AIM To explore the indications for ES and BTS in OCCs based on preoperative inflammation indexes. METHODS One hundred and twenty-eight patients who underwent ES or BTS from 2008 to 2015 were enrolled. Receiver operating characteristic (ROC) curve analysis was used to define the optimal preoperative inflammation index and its cutoff point. Kaplan-Meier analyses and Cox proportional hazards models were applied to assess the association between the preoperative inflammation indexes and the survival outcomes [overall survival (OS) and disease-free survival (DFS)]. Stratification analysis was performed to identify the subgroups that would benefit from ES or BTS. RESULTS OS and DFS were comparable between the ES and BTS groups (P > 0.05). ROC curve analysis showed derived neutrophil-to-lymphocyte ratio (dNLR) as the optimal biomarker for the prediction of DFS in ES (P < 0.05). Lymphocyte-to-monocyte ratio (LMR) was recommended for BTS with regard to OS and DFS (P < 0.05). dNLR was related to stoma construction (P = 0.001), pneumonia (P = 0.054), and DFS (P = 0.009) in ES. LMR was closely related to lymph node invasion (LVI) (P = 0.009), OS (P = 0.020), and DFS (P = 0.046) in the BTS group. dNLR was an independent risk factor for ES in both OS (P = 0.032) and DFS (P = 0.016). LMR affected OS (P = 0.053) and DFS (P = 0.052) in the BTS group. LMR could differentiate the OS between the ES and BTS groups (P < 0.05). CONCLUSION Preoperative dNLR and LMR could predict OS and DFS in patients undergoing ES and BTS, respectively. For OCC, as the potential benefit group, patients with a low LMR might be preferred for BTS via SEMS insertion.

The landscape of organic molecule on Si(100) surface has a great significance for organic functionalisation of Si semiconductor. Several possible adsorption configurations for pyridazine on Si(100) surface have been forecasted by systemic comparison and investigation. The C1s XPS and NEXAFS spectra of these adsorption systems based on density functional theory and full core-hole potential approximation have been calculated. Although the sensibility of XPS to these adsorption configurations is not very strong, these configurations can be absolutely distinguished by NEXAFS spectra, which will bring tremendous reference to the future experimental study. Mode II, III, V and VI have a significantly higher adsorption energy, which are most likely to be present in experiment. In addition, we have made the research on specific sources of the peaks in spectra by analysing their decomposed NEXAFS spectra, the results show that the Carbon atoms which do not bond to surface atoms, make the most contribute to the intensity of characteristic peaks in spectra.

In this paper, the six C

In order to serve a growing multidisciplinary community beyond the traditional scattering areas, an energy-selective neutron imaging instrument is proposed in the China Spallation Neutron Source (CSNS). The instrument is planned to provide analytical techniques such as state-of-the-art energy-selective neutron imaging, neutron radiography, tomography, polarized neutron imaging, neutron phase contrast imaging, and combined neutron diffraction. Coupled hydrogen moderator (CHM) will be chosen as its neutron source. A flight path of 40 m from moderator to sample will provide good energy resolution better than ~0.4%. Super mirror neutron guide will be used to transport neutron from moderator to aperture selector. Aperture selector with 5 apertures and a set of slits will be used to adjust the neutron beam for different modalities. The best spatial resolution will be 50 μm. Different types of detectors will be needed including high spatial resolution CCD camera, TOF detector, and scintillator detector. With a main emphasis on advanced materials and engineering studies, the instrument will enable 2D/3D mapping of the microstructure, chemical composition, and crystallographic structure (grain size, stress and strain, phase position, texture, and so on). It will also support a broad range of studies in archaeology, biology, biomedicine, geosciences, building technology, manufacturing processes, forensic, and homeland security applications.

Presenilin 1 (PS-1, encoded by PSEN1) is a part of the gamma− (γ−) secretase complex. Mutations in PSEN1 cause the majority of cases of familial Alzheimer's disease (FAD). Although in recent years PS-1 has been implicated as a tumor enhancer in various cancers, nothing is known regarding its role in gastric cancer (GC). In the present study, we investigate the role and clinical significance of PS-1 in GC. We observed that PS-1 was significantly upregulated and amplified in GC tissues and cell lines, and its aberrant expression was positively correlated with lymph node metastasis and with poor overall survival. Furthermore, PS-1 promoted tumor invasion and metastasis of GC both in vitro and vivo without affecting the proliferation of GC cells (MGC-803 and MKN-45). The results of treatment with the γ-secretase inhibitor DAPT were consistent with the outcomes of PS-1 silencing. PS-1/γ-secretase cleaves E-cadherin and releases its bound protein partner, β-catenin, from the actin cytoskeleton, thereby allowing it to translocate into the nucleus and to activate the TCF/LEF-1 transcriptional activator, which may promote GC invasion and metastasis. In conclusion, PS-1 promotes invasion and metastasis in GC and may represent a novel prognostic biomarker and potential therapeutic target for GC treatment.

At present, we usually obtain the prediction models of hydraulic structure concrete strength through lots of tests or engineering experience. But when we use the models to predict the concrete strength at a certain time , there may be some discrepancies with the actual value, even some unreasonable situations. During the service period of hydraulic structure, we can get some new information about the concrete strength by the means of safety testing, monitoring or experimenting. With reference to these new information, the Bayes dynamic prediction method can update the time-varying model of concrete strength mentioned above. This method can more accurately predict the concrete strength value of the next moment.

The structures of three important isomers and their corresponding chlorinated derivatives for fullerene C88 are studied, and their NEXAFS and XPS spectra are stimulated at the density funct...