Experimental characterization of SiCH+via single-photon ionization of gas-phase SiCH.

SiCH and its cation have consistently emerged as predicted species in models of silicon chemistry within the interstellar medium, although they remain unobserved in space. Hindered by their intrinsic instability, no spectroscopic insights have been gleaned concerning the SiCH+ cation. In this study, we present experimental measurements on the SiCH+ cation through single-photon ionization spectroscopy of the SiCH radical within the 8.0-11.0 eV range. Gas-phase SiCH radicals were generated through chemical reactions involving CHx (x = 0-3) and SiHy (y = 0-3) within a microwave discharge flow-tube reactor. Employing a double imaging photoelectron/photoion coincidence spectrometer on the DESIRS beamline at the SOLEIL synchrotron, we recorded mass-selected ion yield and photoelectron spectra. From the analysis of the photoelectron spectrum supported by ab initio calculations and Franck-Condon simulations, the adiabatic ionization energies for the transitions from the X2Π ground electronic state of SiCH toward the X+3Σ- and A+3Π electronic states of SiCH+ have been derived [8.935(6) and 10.664(6) eV, respectively, without spin-orbit correction]. The contribution from the less stable isomer HSiC has been explored in our analysis and ruled out in our experiments.

Single-photon ionization of SiC in the gas phase: experimental and ab initio characterization of SiC.

We report the first experimental observation of single-photon ionization transitions of the SiC radical between 8.0 and 11.0 eV performed on the DESIRS beamline at the SOLEIL synchrotron facility. The SiC radical, very difficult to synthesize in the gas phase, was produced through chemical reactions between CHx (x = 0-3) and SiHy (y = 0-3) in a continuous microwave discharge flow tube, the CHx and SiHy species being formed by successive hydrogen-atom abstractions induced by fluorine atoms on methane and silane, respectively. Mass-selected ion yield and photoelectron spectra were recorded as a function of photon energy using a double imaging photoelectron/photoion coincidence spectrometer. The photoelectron spectrum enables the first direct experimental determinations of the X+ 4Σ- ← X 3Π and 1+ 2Π â† X 3Π adiabatic ionization energies of SiC (8.978(10) eV and 10.216(24) eV, respectively). Calculated spectra based on Franck-Condon factors are compared with the experimental spectra. These spectra were obtained by solving the rovibrational Hamiltonian, using the potential energy curves calculated at the multireference single and double configuration interaction level with Davidson correction (MRCI + Q) and the aug-cc-pV5Z basis set. MRCI + Q calculations including the core and core-valence electron correlation were performed using the aug-cc-pCV6Z basis set to predict the spectroscopic properties of the six lowest electronic states of SiC+. Complete basis set extrapolations and relativistic energy corrections were also included in the determination of the energy differences characterizing the photoionization process. Using our experimental and theoretical results, we derived semi-experimental values for the five lowest ionization energies of SiC.

A chemical-structural model for coherent martensite/parent interface in Mn-based antiferromagnetic shape memory alloys.

The martensite/parent coherent interface of Mn-based shape memory alloys (SMAs) is a significant part in the research of their martensitic transformation, reversible shape memory effect and magnetic shape memory effect. In the present work, a chemical-structural model was proposed to calculate the martensite/parent coherent interfacial energy of Mn-X (X = Cu, Fe) alloys. In this model, the coherent heterophase interfacial energy consists of chemical and structural parts. Resulting from the formation process of the heterophase interface, the chemical interfacial energy is expressed as the incremental value of bond energy, while the structural part is obtained by calculating the interfacial strain energy. The results show that the structural interfacial energy plays the chief role in the total interfacial energy, and the total interfacial energy decreases as the temperature rises when the alloy composition is fixed. In addition, the preferred orientation has noteworthy influence on the total interfacial energy. Using the proposed model, interfacial energy, interfacial entropy, interfacial enthalpy and interfacial heat capacity are found to be correlated with temperature and interface preferred orientation. Furthermore, the influences of alloy composition, modulus softening, and the index of the habit plane on the results were discussed.

Exploring photoionization of gas-phase free radicals with a widely tunable VUV laser at moderate spectral resolution.

The VUv Laser for Considering Astrophysical and Isolated Molecules (VULCAIMs) setup [Harper et al., Phys. Chem. Chem. Phys. 24, 2777 (2022)] integrates a narrow-bandwidth tunable vacuum ultraviolet (VUV) and extreme ultraviolet (XUV) nanosecond-pulsed laser system (6-16 eV) and a photoelectron spectrometer, designed for recording high-spectral-resolution (rotationally resolved) photoelectron spectra of gas-phase free radicals. This approach usually needs beforehand medium-resolution synchrotron data to guide the selection of specific spectral regions to be investigated at higher resolution with the VULCAIM setup. We present an upgraded version of the VUV laser system integrating an optical parametric oscillator for continuously scanned medium-resolution measurements (<3 cm-1) across the whole VUV and XUV spectral ranges. This innovation enables broader coverage without the need to access synchrotron facilities. Furthermore, rapid mode switching allows for maintaining optimized radical production conditions from mid-resolution to high-resolution operation mode, enhancing spectroscopy capabilities significantly. The new capabilities of the VULCAIM setup are illustrated on two showcases of photoionization studies: the nitric oxide (NO) stable molecular species and the benzyl (C6H5CH2) free radical produced by pyrolysis.

Phenomenological theory on refrigeration effect of practical type-I superconductor.

In accordance with the phenomenological theory of thermodynamics, we discussed the Magnetocaloric effect of type-I superconductors, which are exposed to a varying magnetic field. It is concluded theoretically that the refrigeration effect is closely associated with demagnetization effect for practical specimens, which is different from the situation for ideal superconductor sample having no demagnetization effect. From the thermodynamic formulation of superconductivity, we deduced the integrating function of the thermal effect. By numerical calculation, we found a quantitative relation between the refrigeration effect and the demagnetizing factor which is determined by the shape of the sample.

[A study of the relationship between expression of IGF-II, IGF-IIR, HBxAg and the DNA ploidy, cell cycle of hepatocytes in hepatocarcinoma].

In order to study the role of insulin-like growth factor II (IGF-II) in the development of hepatocarcinoma (HCC), the expression of IGF-II, IGF-II receptor (IGF-IIR) and HBxAg in HCC was studied with immunohistochemistry (PAP method). Meanwhile DNA ploidy and S-phase fraction of hepatocytes were analyzed with flow cytometry. The results were as follows: (1) IGF-II, IGF-IIR and HBxAg showed positive staining simultaneously in the tumor tissues of 93% (n = 15) of the HCC cases with chronic liver disease and with positive evidence of HBV; (2) The mean S-phase incidence in tissues of IGF-II positive HCC was 28.6 +/- 6.4%; this was higher than 12.8 +/- 2.4% in the IGF-II negative tumors (P < 0.05); (3) The incidence of DNA-aneuploidy in IGF-II positive liver tissues was 100% (10/10); this was higher than 60% (6/10) in IGF-II negative liver tissues (P < 0.05). It is suggested that IGF-II might play an important role in the development of HCC when there is evidence of HBV and chronic liver disease involvement. IGF-II positive staining HCC have increased proliferative activity as compared with IGF-II negative staining tumors.

[An analysis of HCV infection by using recombinant HCV antigen C11 and C7].

The recombinant protein C11 derived from the C region of HCV genome and C7 derived from the nonstructural region NS3 of the HCV genome were used in ELISA to study 442 cases of liver diseases, including chronic hepatitis, cirrhosis and hepatocellular carcinoma in Beijing District. It was found that HBV infection was more prevalent than HCV infection in this district. Both liver cirrhosis and hepatocellular carcinoma were more related to the superinfection of HBV and HCV rather than HBV infection alone or HCV infection alone. It is suggested that there may be some interaction between the HBV and HCV to worsen the prognosis of these patients.

[Chronic active hepatitis with superinfection of delta virus and hepatitis B virus: treatment with Chinese traditional medicine].

Among the 136 patients of HBsAg positive chronic hepatitis admitted from November 1986 to June 1988, 110 patients gave consent to have liver biopsy and out of the 110 liver biopsies 86 were confirmed histologically to be chronic active hepatitis. After screening the 86 patients twice with ELISA (ABBOTT ANTI-DELTA EIA), 26 (30.23%) showed positive results twice. Though it was reported that the incidence of delta hepatitis infection is very low in the HBsAg carriers in Beijing area, the incidence of superinfection of delta hepatitis on chronic active hepatitis B seems to be considerably high (30.23%) as shown in this study. Histological examination revealed that in the liver of patients with superinfection of delta hepatitis on chronic active hepatitis (26 cases) there were more severe changes and more eosinophilic degeneration than in the liver of patients without superinfection (58 cases). The patients were allocated to 3 groups at random. Eleven cases of chronic active hepatitis, with superinfection were treated with Chinese traditional medicine Xiao Chai Hu Tang (XCHT), 5 cases with biphenyl dimethyl dicarboxylate (BDD) and 10 cases with XCHT + BDD. It was noted that after 3 months of treatment, in the XCHT group, HBeAg became negative in 2/3, anti-HBe converted to positive in 2/8 and HBV-DNA converted to negative in 2/2. SGPT became normal in 8/8. XCHT showed a fairly good result and deserves further study.

Inapparent infection of hepatitis A virus.

To detect inapparent infection with hepatitis A virus, serial sera were collected from patients with hepatitis A and their contacts in two waterborne epidemics in China. Epidemic 1 occurred in a rural village near Hangzhou during August 1978-January 1979, and epidemic 2 took place in a rural primary school in Pinghu County in Zhejiang in April-May 1985. These sera were tested for antibodies against hepatitis A virus (anti-HAV), serum glutamic pyruvic transaminase (SGPT) activity, and icteric index. Feces also were collected in epidemic 1 to test for hepatitis A virus antigen. Both anti-HAV immunoglobulin M (IgM) and total anti-HAV were assayed in sera from "healthy persons" (symptomless persons without icterus and with normal SGPT level) who were in close contact with hepatitis A patients. In epidemic 1, among 18 "healthy persons", 12 were anti-HAV IgM positive, two were immune, and four susceptibles escaped infection. In epidemic 2, among 32 "healthy children", three were anti-HAV IgM positive, five had been infected by hepatitis A virus in the past, and 24 were not infected. These results demonstrate that inapparent infections occur along with overt and subclinical infections during epidemics of hepatitis A. The proportions of inapparent, subclinical, and overt infections were, respectively, 34.3%, 45.7%, and 20% in epidemic 1, and 25%, 50%, and 25% in epidemic 2. In addition, hepatitis A virus particles were demonstrated in the feces of all infected subjects who were examined and who included all levels of clinical response. These particles were identified with immuno-electron microscopy and enzyme-linked immunoassay.

Patterns of shedding of hepatitis A virus antigen in feces and of antibody responses in patients with naturally acquired type A hepatitis.

Serial stools and sera from 13 patients with hepatitis A were collected during an epidemic in 1978 in a rural village near Hangzhou, China, and were studied to determine the patterns of shedding of hepatitis A antigen (HAAg) and of antibody response in some cases. Of 44 stool specimens, 31 were HAAg-positive by a radioimmunoprecipitation-polyethylene glycol assay. The highest percentage of HAAg positivity was in stools collected one week before and one week after the peak elevation of serum glutamic pyruvic transaminase (SGPT) levels, and peak HAAg shedding in each patient usually occurred in the early stools. Fecal shedding of HAAg was detected as early as day 19 before peak elevation in SGPT level and as late as day 11 afterward and continued for at least 25 days. The pattern of HAAg shedding in feces and of complement-fixation and immune adherence antibody response in relation to the change in SGPT activity and jaundice in four patients with hepatitis A was demonstrated.

Studies in monkeys of attenuated hepatitis A variants.

Three HAV variants, H2M20(35 degrees C), H2M20(35 degrees C) and H2M20K5(32 degrees C), were developed by passage in different tissue culture cells and at different temperatures. Virulence for monkeys was assessed by inoculating each of the variants into four monkeys. Weekly bleeding through 16 weeks post-inoculation was assayed for anti-HAV titers and SGPT as well as LDH5 activities. And in some monkeys liver biopsies were also studied. Seroconversion was induced in all of the inoculated monkeys. The anti-HAV titers tested at 16 weeks post-inoculation were: 40-640 with H2M20(35 degrees C), 40-160 with H2M20(32 degrees C) and 20-40 with H2M20K5(32 degrees C). These variants showed different levels of virulence/attenuation for monkeys. Variant H2M20(35 degrees C) showed no evidence of attenuation, variant H2M20(32 degrees C) retained slight virulence and variant H2M20K5(32 degrees C) showed no evidence of virulence for monkeys. Criteria are proposed for assay of HAV virulence tested in monkeys.

Further evaluation of the safety and protective efficacy of live attenuated hepatitis A vaccine (H2-strain) in humans.

A study on the possibility of transmission of live hepatitis A vaccine (H2-strain) from vaccinees to nonvaccinees was conducted. As a result, no seroconversion was found among 87 seronegative nonvaccinees, who had a close contact with their 141 subcutaneously vaccinated classmates nor was it found among 101 seronegative children administered the vaccine orally. The above fundings suggest that by losing the ability to be transmitted orally the vaccine virus may result in a decreasing possibility of dissemination among contacts. A 4-year study on the protective efficacy of the H2-strain vaccine was done at 11 primary schools starting at 1991 in Shaoxing County. Since then, there has been no hepatitis A reported among 18102 cumulative person-years in the vaccination group, while 495 cases occurred among 242168 cumulative person-years in the control groups. A large scale vaccination with a cumulative vaccination coverage of 89.45% was carried out in Jiaojiang City among children 1-15 years old. Hepatitis A in this age group in the city, which had 12-87 cases per annum with an average of 32 for 8 years before vaccination, decreased drastically to 0-1 cases after vaccination. The protective efficacy of H2-strain vaccine proved to be satisfactory.

Primary study of attenuated live hepatitis A vaccine (H2 strain) in humans.

Strain H2, an attenuated live hepatitis A virus (HAV), was derived from the fecal specimen of a patient with hepatitis A in Hangzhou, China. After isolation and passage in a culture of newborn monkey kidney cells, adaptation to grow in human lung diploid cells (KMB17), and serial passage at a low temperature (32 degrees C) in KMB17 cells, this strain became the master seed virus for H2-strain vaccine. Twelve human volunteers received the experimental vaccine subcutaneously and were closely observed for 20 w. None of the subjects developed any local or systemic reactions, and there were no elevations of serum glutamic-pyruvic transaminase, type 5 isoenzyme of lactate dehydrogenase, or isocitrate dehydrogenase. Seroconversion occurred in all subjects at a mean time of 3 w after inoculation. ELISA competitive test for titer of antibody to HAV showed values ranging from 1:2 to 1:8 with a geometric mean titer of 1:3.48 at 20 w after inoculation. No marked decrease in titer of HAV antibody was found in the subjects tested at 1 y. These antibodies were proved to be neutralizing antibodies.

Studies on the transmission of human hepatitis A virus to stump-tailed monkey.

The newly-caught stump-tailed monkeys (Macaca speciosa) with negative antibody to hepatitis A were inoculated with human hepatitis A virus. The following findings were observed in the monkeys after inoculation: (i) the elevation of activities of the serum glutamic-pyruvic transaminase, lactate dehydrogenase and its isoenzyme (LDH5), (ii) the seroconversion of antibody to hepatitis A virus. (iii) the shedding of hepatitis A antigen in feces. These findings show that the stump-tailed monkey (Macaca speciosa) is susceptible to infection of human hepatitis A virus. The virus recovered from the feces of the infected monkey, named as Hang-zhou A-1A strain of hepatitis A virus, has experienced two generations of successful transmission in monkeys.

Susceptibility of monkeys to human hepatitis A virus.

A stump-tailed monkey, newly caught and without antibody to hepatitis B virus (HAV), was successfully infected with human HAV. The following alterations were observed in the monkey's functions: (1) elevation in activities of serum glutamic pyruvic transaminase, lactate dehydrogenase, and its type 5 isoenzyme (electrophoretically the fastest moving); (2) development of antibody to HAV; and (3) shedding of HAV antigen in feces. The virus isolated from the monkey, designated the Hangzhou A-1A strain of HAV, was serially transmitted to two other stump-tailed monkeys. Thus, the stump-tailed monkey (Macaca speciosa) is susceptible to infection with human HAV.