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As a financial product, gold is one of the more important spot and futures trading products in the commodity market. Based on the time series model, the gold price can be fitted and predicted, in order to explore the law of gold price changes. It has positive implications for investors and government managers. This article selects the Prime Day price in 2018 as the research object. Combined with domestic and foreign research content on financial time series. First, through the time series diagram test and the unit root test, it is obtained that the gold daily price series is a cycle-free and non-stationary series. Therefore, the time series needs to be differentiated. Second, a new stationary sequence is obtained by making second-order differences. Third, after the time sequence diagram test, ADF test, and white noise test, the sequence is a non-white noise sequence. Comparing the AIC values of multiple time series models, the most ideal model for the series should be the ARIMA (2,2,2) model. The significance test of the model shows that the fitted model is significantly effective. And the significance test of the model parameters is also passed. Then make predictions with this model. Comparing the predicted value with the future real gold price, it is found that the predicted value is close to the real value. This is a good reference for the country to formulate relevant economic policies.

本文介绍1例全口重度磨耗患者在Broadrick咬合平面分析仪辅助下确定(牙合)平面并完成全口牙列功能与美学重建的过程。患者治疗后12个月复诊，咬合功能良好，无关节或咀嚼肌不适，对修复效果满意。.

In the present work, treatment with AMP-PCP (β,γ-methyleneadenosine-5'-triphosphate - a competitive inhibitor of the extracellular ATP pool) or apyrase (an ATP-degrading enzyme) decreased the PSII operating efficiency (ΦPSII), photochemical quenching (qp), and maximum quantum efficiency of PSII photochemistry (Fv/Fm) of Arabidopsis leaves illuminated with high light intensity. Mutation of extracellular ATP receptor, DORN1, also caused decreases of ΦPSII, qp, and Fv/Fm when the leaves were exposed to high light. Either the treatment with AMP-PCP and apyrase or the mutation in DORN1 increased the salicylic acid content in the illuminated leaves. Salicylic acid deficiency in NahG transgenic mutant made the PSII photochemistry more sensitive to AMP-PCP or apyrase. These results indicate that extracellular ATP depletion can affect the PSII photochemistry, whereas salicylic acid can relieve this effect.

OBJECTIVE: To evaluate the potential effectiveness of different screening strategies for cardiovascular diseases prevention in a community-based Chinese population from economically developed area of China. METHODS: Totally 202 179 adults aged 40 to 74 years without cardiovascular diseases at baseline (January 1, 2010) were enrolled from the Chinese electronic health records research in Yinzhou (CHERRY) study. Three scenarios were considered: the screening strategy based on risk charts recommended by the 2020 Chinese guideline on the primary prevention of cardiovascular diseases in Chinese adults aged 40-74 years (Strategy 1); the screening strategy based on the prediction for atherosclerotic cardiovascular disease risk in China (China-PAR) models recommended by the 2019 Guideline on the assessment and management of cardiovascular risk in China in Chinese adults aged 40-74 years (Strategy 2); and the screening strategy based on the China-PAR models in Chinese adults aged 50-74 years (Strategy 3). According to the guidelines, individuals who were classified into medium- or high-risk groups after cardiovascular risk assessment by the corresponding strategies would be introduced to lifestyle intervention, while high-risk population would take medication in addition. Markov model was used to simulate different screening scenarios for 10 years (cycles), using parameters mainly from the CHERRY study, as well as published data, Meta-analyses and systematic reviews for Chinese populations. The life year gained, quality-adjusted life year (QALY) gained, number of cardiovascular disease events/deaths could be prevented and number needed to be screened (NNS) were calculated to compare the effectiveness between the different strategies. One-way sensitivity analysis on uncertainty of cardiovascular disease incidence rate and probabilistic sensitivity analysis on uncertainty of distributions for the hazard ratios were conducted. RESULTS: Compared with non-screening strategy, QALYs gained were 1 433 [95% uncertainty interval (UI): 969-1 831], 1 401 (95%UI: 936-1 807), and 716 (95%UI: 265-1 111) for the Strategies 1, 2, and 3; and the NNS per QALY in the above strategies were 141 (95%UI: 110-209), 144 (95%UI: 112-216), and 198 (95%UI: 127-529), respectively. The Strategies 1 and 2 based on different guidelines showed similar effectiveness, while more benefits were found for screening using China-PAR models in adults aged 40-74 years than those aged 50-74 years. The results were consistent in the sensitivity analyses. CONCLUSION: Screening for cardiovascular diseases in Chinese adults aged above 40 years seems effective in coastal developed areas of China, and the different screening strategies based on risk charts by the 2020 Chinese guideline on the primary prevention of cardiovascular diseases or China-PAR models by the 2019 Guideline on the assessment and management of cardiovascular risk in China may have similar effectiveness.

OBJECTIVE: To analyze the clinical features and prognosis in patients with primary Sjögren's syndrome (pSS) and autoimmune liver diseases (ALD). METHODS: A retrospective analysis of clinical manifestation and prognosis was performed in patients with ALD or without ALD during the three years (February 2014 to December 2017). RESULTS: Totally, 203 patients with pSS were included in this study, 68 patients had ALD (31 patients with autoimmune hepatitis, 37 patients with primary biliary cholangitis), while 135 patients did not have ALD. There were no differences between the two groups regarding age, gender, clinical manifestations, such as dry mouth, dry eyes, pain, fatigue, lymphadenopathy, glandular swelling, cutaneous involvement, lung involvement, and renal involvement, and the incidence rate of other autoimmune diseases, such as autoimmune thyroid disease, rheumatoid arthritis, and vasculitis. There were also no differences in the titer of antinuclear antibody (ANA), the positive rates of anti-Sjögren's syndrome A antibody (SSA), SSA52, and anti-Sjögren's syndrome B antibody (SSB), and at the levels of erythrocyte sedimentation rate and C-reactive protein between the two groups. Most importantly, the pSS patients with ALD had a shorter disease course, a higher positive rate of anti-mitochondrial M2 antibody (AMA-M2) and anti-centromere antibody, a higher level of IgG and IgM, a lower level of complement 3, and a decreased number of blood cells. They also had a higher level of liver related serum index, such as alanine aminotransferase, aspartate aminotransferase, gamma-glutamyl transferase, alkaline phosphatase and total bilirubin, direct bilirubin, indirect bilirubin, a higher incidence rate of liver cirrhosis, an increased death incident (the mortality was 13.24% in the pSS patients with ALD, while 2.96% in the controls, P=0.013), and a worse prognosis. Binary Logistic regression analysis revealed that liver cirrhosis, the EULAR Sjögren's syndrome disease activity index (ESSDAI) scores and the level of total bilirubin were the prognostic factors of mortality in the pSS patients with ALD. The survival curve was estimated by the Kaplan-Meier method. It demonstrated that the pSS patients with ALD had a lower survival rate when compared with the controls. CONCLUSION: The patients with both pSS and ALD will suffer from a more severe disease and a higher death incident. We should pay more attention to these patients and provide a better symptomatic treatment for them during clinical practice.

Acclimation to excess light is required for optimizing plant performance under natural environment. The present work showed that the treatment of Arabidopsis leaves with exogenous H2O2 can increase the acclimation of PSII to excess light. Treatments with H2O2 also enhanced the capacity of the mitochondrial alternative respiratory pathway and salicylic acid (SA) content. Our work also showed that the lack in alternative oxidase (AOX1a) in AtAOX1a antisense line and the SA deficiency in NahG (salicylate hydroxylase gene) transgenic mutant attenuated the H2O2-induced acclimation of PSII to excess light. It indicates that the H2O2-induced acclimation of PSII to excess light could be mediated by the alternative respiratory pathway and SA.

In 1884, Kong Qinggao translated Huxley's1884年由孔庆高译、嘉约翰校正出版的《体用十章》，是中国近代第一部生理学译著，其底本是赫胥黎所著《生理学基础教程》，然而这部译著长期被生理学史研究者所忽视。《体用十章》的内容系统而丰富，有较强的专业性；与底本相比，内容基本符合原著，仅少量未译出，个别次序做了调整，附图85幅，绘制水平不逊于原著；创译了众多生理学术语，在当时产生了一定影响；作为中国最早的西医学教育机构博济医校的教材，《体用十章》培养了中国最早的现代医学专门人才，对西方生理学在中国的传播产生了重要作用。.

The aim of this study was to compare the enhancement pattern of intrahepatic cholangiocarcinoma (ICC) on contrast-enhanced ultrasound (CEUS) with that on contrast-enhanced computed tomography (CECT). 40 pathologically proven ICC lesions in 40 patients were evaluated retrospectively with both CEUS and CECT. The enhancement level and pattern in the dynamic phases on both CEUS and CECT were analysed. The diagnostic results of CEUS and CECT before pathological examination were also recorded. During arterial phases, the number of lesions that appeared as (i) peripheral irregular rim-like hyperenhancement, (ii) diffuse heterogeneous hyperenhancement, (iii) diffuse homogeneous hyperenhancement and (iv) diffuse heterogeneous hypoenhancement were 19 (47.5%), 9 (22.5%), 5 (12.5%) and 7 (17.5%), respectively, on CEUS, and 22 (55.0%), 3 (7.5%), 2 (5.0%) and 13 (32.5%), respectively, on CECT (p = 0.125). In the portal phase, the number of lesions showing hyperenhancement and hypoenhancement were 1 (2.5%) and 39 (97.5%), respectively, on CEUS, and 15 (37.5%) and 25 (62.5%) on CECT (p = 0.0001). CEUS made a correct diagnosis in 32 (80.0%) lesions before pathological examination; CECT made a correct diagnosis in 27 (67.5%) lesions (p = 0.18). In conclusion, the enhancement patterns of ICC on CEUS were consistent with those on CECT in the arterial phase, whereas in the portal phase ICC faded out more obviously on CEUS than on CECT. CEUS had the same accuracy as CECT in diagnosing ICCs, and so can be used as a new modality for the characterization of ICC.

The objective of this study was to evaluate the correlation between the enhancement pattern of hepatocellular carcinoma (HCC) on contrast-enhanced ultrasound (CEUS) and tumour cellular differentiation on histopathology. 189 HCC lesions in 189 patients were retrospectively evaluated with CEUS and histopathological examination. CEUS was performed with SonoVue and contrast pulse sequencing. Histopathological diagnoses were made according to the Edmonson grading system. Significant differences were shown between the time that the HCC became hypoenhancing or remained echogenic in late phase and tumour cellular differentiation (p = 0.006; p = 0.036), but not with the time of commencement of hyperenhancing or commencement of isoenhancing in arterial phase and portal phase (p = 0.164, p = 0.113; p = 0.186, p = 0.070). The timing of HCC becoming hypoenhancing on CEUS is correlated with tumour cellular differentiation; well differentiated tumours wash out more slowly than poorly differentiated ones.

Thyroid hormone is known to play a pivotal role in the regulation of prepuberal rat testes development and function with specific influence on the differentiation of Sertoli cells, the only cell type that expresses thyroid hormone receptors in testes. To explore in vivo effects of thyroid hormone on testes development and the regulation of testicular gene expression, the hyper- and hypothyroid rat models were established by T3 injection to pups (ip 100 microg/kg bw) and by oral administration of 6-N-propyl-2-thiouracil (PTU) to the lactating mother from days 1 to 21 post-delivery. Half of the rats from each group were sacrificed at 21 days of age, and the other half were allowed to recover with discontinued treatments from day 22 to day 50. At 21 days of age, a significantly elevated serum T3 level was observed in hyperthyroid rats (179.5 ng/dl) vs controls (97.5 ng/dl), and in hypothyroid rats a significantly lower level of T3 was detected (26.1 ng/dl). However, serum T4 concentration was significantly lower in both hyper- (0.105 microg/dl) and hypothyroid (0.058 microg/dl) rats compared to the controls (2.48 microg/dl). In recovered rats in which the serum T3 and T4 were restored to normal, the serum T levels remained remarkably lower in both hyper- and hypothyroid rats. The significantly decreased body and testes weights observed in both hyper- and hypothyroid rats at 21 days of age were not restored by the time they were 50 days old. Histological analyses of testes of 21-day-old hypothyroid rats revealed smaller-sized seminiferous tubules, incomplete lumen formation and delayed germ cell differentiation and in hyperthyroid rats an increased number of early stage spermatocytes was found. Testicular mRNA levels of follicle-stimulating hormone receptor (FSH-R), luteinizing hormone receptor (LH-R) and androgen binding protein (ABP) were studied by Northern blot hybridization. At 21 days of age data showed that FSH-R mRNA levels were significantly higher in both hyper- and hypothyroid rat testes compared to controls, but no differences were detected in recovered 50-day-old rats. Significantly decreased ABP mRNA levels were detected only in hypothyroid rat testes compared to those in both the hyperthyroid and control groups at 21 days of age, but no significant change was observed in recovered 50-day-old rats. To further evaluate the effect of thyroid hormone on the Leydig cell function, the 2.3/2.6 kb specific LH-R hybridization bands were detected with rat LH-R cRNA probe. Significant suppression of LH-R mRNA levels was only observed in the hypothyroid rat testes at 50 days of age. The testicular thyroid hormone receptors (TRs) and the regulation of TR by thyroid hormone were investigated using semi-quantitative reverse transcription-polymerase chain reaction (RT-PCR) assays. Both TRalpha and TRbeta mRNAs were identified in the testes from 21- and/or 50-day-old rats. TRalpha mRNA levels were significantly increased in hypothyroid rat testes and were suppressed in hyperthyroid rats at 21 days of age and no changes of TRalpha mRNA were found in recovered animals. Our in vivo data strongly suggest that the thyroid hormone directly affects the development of prepuberal testes and the regulation of FSH-R and ABP gene expression in Sertoli cells, as well as the LH-R mRNA levels in Leydig cells, which may lead to further modulating the effect of gonadotropins on testes function.

Rough set data analysis is one of the main application techniques arising from rough set theory. In this paper we introduce a concept of inclusion degree into rough set theory and establish several important relationships between the inclusion degree and measures on rough set data analysis. It is shown that the measures on rough set data analysis can be reduced to the inclusion degree.

In this study, the free and forced vibrations of postbuckled delaminated beam-plates have been investigated. If a beam-plate is under a postbuckled state, the natural frequencies, mode shapes of the structure will be substantially affected by the changes of the size and location of the delamination and by the magnitude of the axial compression. Based on the revised boundary conditions and governing partial differential equations, the natural frequencies and mode shapes of the postbuckled delaminated beam-plates are calculated by using the separation of variables. Once the natural frequencies and mode shapes are accomplished, the dynamic responses of the postbuckled delaminated beam-plate can be obtained readily.

Congenital insensitivity to pain with anhidrosis (CIPA; MIM 256800) is a rare autosomal recessive disorder characterized by absence of reaction to noxious stimuli, recurrent episodes of fever, anhidrosis, and mental retardation. It is caused by mutations in the gene coding for neurotrophic tyrosine kinase receptor type 1 (NTRK1; MIM# 191315). We screened two Chinese CIPA cases for mutations in the NTRK1 gene and examined their phenotype. Two novel mutations of the NTRK1 gene and two known mutations were identified. Including our two novel mutations, there are now 62 different NTRK1 gene mutations reported in patients with CIPA. We find that a combination of two null alleles usually leads to the severe phenotype, while the mild form of the CIPA disease is associated with at least one mild allele. Thirty-four among the 62 mutations (55%) are located within the tyrosine kinase domain of the NTRK1 protein. We concluded that the tyrosine kinase domain is a hot spot for mutations.

The molecular structure of human liver fructose-1,6-bisphosphatase complexed with AMP was determined by x-ray diffraction using molecular replacement, starting from the pig kidney enzyme AMP complex. Of the 34 amino acid residues which differ between these two sequences, only one interacts with AMP; Met30 in pig kidney is Leu30 in human liver. From this analysis, six sites in which side chains of amino acid residues are in contact with AMP, Ala24, Leu30, Thr31, Tyr113, Arg140, and Met177, were mutated by polymerase chain reaction. The wild-type and mutant forms were expressed in Escherichia coli, purified, and their kinetic properties determined. Circular dichroism spectra of the mutants were indistinguishable from that of the wild-type enzyme. Kinetic analyses revealed that all forms had similar turnover numbers, Km values for fructose 2,6-bisphosphate, and inhibition constants for fructose 2,6-bisphosphate. Apparent Ki values for AMP inhibition of the Leu30 --> Phe and Met177 --> Ala mutants were similar to those of the wild-type enzyme, but the apparent Ki values for the Arg140 --> Ala and Ala24 --> Phe mutants were 7-to 20-fold higher, respectively. The Thr31 --> Ser mutant exhibited a 5-fold increase in apparent Ki for AMP, while mutation of Thr31 to Ala increased the apparent Ki 120-fold. AMP inhibition of the Tyr113 --> Phe mutant was undetectable even at millimolar AMP concentrations. Fructose 2,6-bisphosphate potentiated AMP inhibition of the mutants to the same extent as for the wild-type enzyme, except in the case of the Thr31 --> Ala and Tyr113 --> Phe mutants. Thus, the Met177 --> Ala mutant suggests that the side chain beyond C alpha is not needed for AMP binding, and that the Leu30 --> Phe mutant preserves the AMP contacts with these side chains. Thr31, Tyr113, and Arg140 form key hydrogen bonds to AMP consistent with strong side chain interactions in the wild-type enzyme. Finally, the absence of any effect of fructose 2,6-bisphosphate on AMP inhibition observed in the Thr31 --> Ala mutant may be an important clue relating to the mechanism of synergism of these two inhibitors.

This Letter presents a novel type of integrated optical temperature sensor which is based on a single waveguide with a reflecting mirror at the rear end. The experimental results achieve a half-wave temperature of 0.14 C and an extinction ratio of 76%. The reflecting mode sensor shows advantages over the Mach-Zehnder structure in terms of high sensitivity and good extinction ratio. © 1993 John Wiley & Sons, Inc.

To compare pharmacokinetics of domestic and imported tablets of anastrozole.Twenty male Chinese volunteers were enrolled in a randomized crossover study with a single oral dose of 1 mg of the two formulations respectively. The anastrozole in plasma was measured by gas chromatography with electron-captured detector. Area under the drug concentration-time curve was evaluated by variance analysis and two one-side t-test.A two-compartment model was adopted in anastrozole plasma concentration-time data analysis. The paramaters such as Cmax, Tmax, T1/2beta, and AUC(0-infinity) were (10 +/- 3) and (10.2 +/- 2.5) microg/L, (1.2 +/- 0.5) and (1.3 +/- 0.4) h, (42 +/- 14) and (41 +/- 26) h, (443 +/- 141) and (429 +/- 121) microg . h . L-1, respectively, and there were no significant differences between the two formulations.Domestic and imported anastrozole were of bioequivalence. The relative bioavailability of the domestic tablet was 100 % +/- 9 %.

Prostate secretory epithelial cells have the unique function and capability of accumulating extremely high intracellular levels of zinc. One of the effects of this accumulation is inhibition of cell growth due, in part, to an increase in apoptosis. The present studies were conducted to determine if this zinc-induced apoptosis involves stimulation of mitochondrial apoptogenesis.The PC-3 a human malignant prostate cell line, which is zinc accumulating, was exposed to medium supplemented with physiologic levels of zinc.By 24 h, zinc treatment resulted in the translocation of cytochrome c from the mitochondria to the cytosol, the activation of caspase-9 and caspase-3, and eventually, the cleavage of nuclear poly(ADP)-ribose polymerase (PARP). Under similar conditions, exposure of freshly prepared rat ventral prostate cells (which are also zinc accumulating) resulted in increased apoptosis following translocation of cyochrome c and activation of caspases-9 and 3. The human prostate PZ-HPV-7 cells, which do not accumulate zinc, did not exhibit any apoptotic effect from zinc treatment.The accumulation of high intracellular levels of zinc by prostate cells induces mitochondrial apoptogenesis. This represents a newly identified physiological effect of zinc in the regulation of prostate cell growth.

Exposure of prostate carcinoma cell lines to retinoids, which function through the classical retinoic acid nuclear receptor, (RARs) or retinoid X receptors (RXRs), results in minimal cytostatic inhibition of cell proliferation.Growth inhibition and various regulatory responses were investigated in two human prostate carcinoma cell lines (LNCaP and PC-3) treated with or without a synthetic retinoid, CD 437.Incubation of prostate carcinoma cell lines with a novel retinoid CD437 resulted in the marked inhibition of proliferation. LNCaP and PC-3 possessed IC50 values for CD437 of 375 nM and 550 nM, respectively. Incubation with 1 microM CD437 for 24 hr resulted in 100% and 60% inhibition of growth in LNCaP and PC-3 cells, respectively. Simultaneously, cell flow cytometric analyses revealed a dramatic increase of the cell population in S phase, in both LNCaP (from 38.6% up to 86.7%) and PC-3 (27.9% to 55.7%), and a decreased proportion of cells in G2 phase, in LNCaP (from 23.7% down to 1.2%) and PC-3 (14.9% to 2.2%), indicating a significant S-phase arrest. The cell growth inhibition and S-phase arrest in these cells were followed by apoptosis, as revealed by the acquisition of the characteristic cell morphology including the appearance of apoptotic bodies, and further confirmed by cellular DNA fragmentation. CD437-induced-S phase arrest was associated with upregulated mRNA levels of p21waf1/cip1/sdi1 in both LNCaP (p53+/+) and PC-3 (53-/-) cells.CD437 represents a unique retinoid that induces S-phase arrest and apoptosis in both androgen-dependent (LNCaP) and -independent (PC-3) human prostate cancer cells, suggesting a potential role of CD437 in the treatment of human prostate cancer.

The molecular structure of human liver fructose-1,6-bisphosphatase complexed with AMP was determined by x-ray diffraction using molecular replacement, starting from the pig kidney enzyme AMP complex. Of the 34 amino acid residues which differ between these two sequences, only one interacts with AMP; Met30 in pig kidney is Leu30 in human liver. From this analysis, six sites in which side chains of amino acid residues are in contact with AMP, Ala24, Leu30, Thr31, Tyr113, Arg140, and Met177, were mutated by polymerase chain reaction. The wild-type and mutant forms were expressed in Escherichia coli, purified, and their kinetic properties determined. Circular dichroism spectra of the mutants were indistinguishable from that of the wild-type enzyme. Kinetic analyses revealed that all forms had similar turnover numbers, Km values for fructose 2,6-bisphosphate, and inhibition constants for fructose 2,6-bisphosphate. Apparent Ki values for AMP inhibition of the Leu30 --Phe and Met177 --Ala mutants were similar to those of the wild-type enzyme, but the apparent Ki values for the Arg140 --Ala and Ala24 --Phe mutants were 7-to 20-fold higher, respectively. The Thr31 --Ser mutant exhibited a 5-fold increase in apparent Ki for AMP, while mutation of Thr31 to Ala increased the apparent Ki 120-fold. AMP inhibition of the Tyr113 --Phe mutant was undetectable even at millimolar AMP concentrations. Fructose 2,6-bisphosphate potentiated AMP inhibition of the mutants to the same extent as for the wild-type enzyme, except in the case of the Thr31 --Ala and Tyr113 --Phe mutants. Thus, the Met177 --Ala mutant suggests that the side chain beyond C alpha is not needed for AMP binding, and that the Leu30 --Phe mutant preserves the AMP contacts with these side chains. Thr31, Tyr113, and Arg140 form key hydrogen bonds to AMP consistent with strong side chain interactions in the wild-type enzyme. Finally, the absence of any effect of fructose 2,6-bisphosphate on AMP inhibition observed in the Thr31 --Ala mutant may be an important clue relating to the mechanism of synergism of these two inhibitors.

A new taxane diterpene and three known taxane diterpenes were isolated from the heartwood of Taxus mairei grown in Fujian province of China and identified as 1-dehydroxy-baccatin VI, baccatin VI, 1-dehydroxybaccatin IV, and taxinne J on the basis of spectral data.

The energy barrier for the intramolecular proton transfer between zinc-bound water and His 64 in the active site of human carbonic anhydrase II (HCA II) has been studied at the partial retention of diatomic differential overlap (PRDDO) level. The most important stabilizing factor for the intramolecular proton transfer is the zinc ion, which lowers the pKa of zinc-bound water and electrostatically repels the proton. The energy barrier of 127.5 kcal/mol for proton transfer between a water dimer is completely removed in the presence of the zinc ion. The zinc ligands, which donate electrons to the zinc ion, raise the barrier slightly to 34 kcal/mol for a 4-coordinated zinc complex including three imidazole ligands from His 94, His 96, and His 119 and to 54 kcal/mol for the 5-coordinated zinc complex including the fifth water ligand. A few model calculations indicate that these energy barriers are expected to be reduced to within experimental range (approximately 10 kcal/mol) when large basis set, correlation energies, and molecular dynamics are considered. The proton-transfer group, which functions as proton receiver in the intramolecular proton transfer, helps to attract the proton; and the partially ordered active site water molecules are important for proton relay function.

Proton transfer within HCO3- has been examined under various conditions through molecular orbital methods: partial retention of diatomic differential overlap and 4-31G self-consistent field programs. These conditions include the absence or presence of Zn2+, Zn2+(NH3)3, or a water ligand on Zn2+. In addition, 4-31G+ and some MP2/4-31G results are obtained. The use of Be2+ to simulate Zn2+ reproduces reaction pathways and energy barriers, except for marginal cases. The barrier of 35.6 kcal/mol for direct internal proton transfer is reduced to 3.5 kcal/mol when one water molecule, not bound to Zn2+, is included for proton relay and to 1.4 kcal/mol when two such water molecules are included. In the enzyme, either Thr-199 or solvent molecules could perform this relay function. Our results favor this facilitated proton transfer over a mechanism in which Zn2+-bound OH- attacks CO2, a bidentate intermediate forms, and the OH moiety of the resulting HCO3- dissociates from Zn2+, thus leaving one of the oxygens of the original CO2 as a ligand to Zn2+.

original project In particular with interested non-experts in SFL in mind, the first section of the chapter will be dedicated to systematically but accessibly defining/describing what the SFL take on literature and the analysis of the language in literature consists in. Hasan’s expression ‘verbal art’ will be adopted and the definition provided will be hers, as will be the double-articulation descriptive and analytical model of verbal art also presented in the section (1985/1989; 2007). It will also immediately be emphasized that, in contrast to mainstream theoretical-methodological approaches to stylistics, the verbal art framework derives from the conviction that literature is a ‘special’ text type: “[…] language for its own sake: the only use of language, perhaps, where the aim is to use language.” (Halliday 1964: 245), and that, as a result, the framework for its analysis must be ‘special’ too. To ensure that readers are briefed in the ostensible strengths and relative weaknesses of diverse approaches, the framework and its rationale will be juxtaposed with Simpson (2014) as representative of those mainstream approaches to stylistics mentioned above. Section 2 will attempt to map out the central inspirations of the model. The Social Semiotic Stylistics perspective, as Hasan also calls it, is not ‘new’: “[…] it actually predates the 1960s’ structural stylistics” (Hasan 2007: 21). The initial approach to the perspective was made by the Russian Neo-Formalists and Prague Circle scholars, especially Mukařovský in his 1928 discussion of ‘foregrounding’ (1977, 1978). There will be no space for tracing a comprehensive history of the discipline of stylistics and its various ‘stages’ (but see, e.g., Introduction to Miller and Turci 2007), yet, while what is often dubbed ‘British’ stylistics was emerging and defining itself in these early years, Hasan – and also Halliday – were actively contributing to that definition. This section would reveal how. Attention will be drawn here to Halliday’s complementary role in the ‘history’ of the framework of verbal art with his like-minded theoretical and methodological stances on the linguistic study of literature and in well-known applications of these in analyses of various literary texts (cf. Lukin 2014). Section 3 will give a brief sample illustration of verbal art analysis in action, exemplifying the basic analytical steps by means of my own unpublished analysis of D. H. Lawrence’s ‘Lonely, Lonesome, Loney – O!’, a poem replete with linguistic mechanisms that can be shown to ‘mean’ in the ways the model foresees. Section 4 will take brief note of recent research within the framework, as well as to indicate possible directions for future work. The studies of many scholars would by rights be mentioned here: foremost among these being Butt, Lukin, Webster in particular on the Australian scene and, in Italy, Taylor Torsello and myself, but also Turci and Luporini. Special mention should also go to Manfredi and Pagano and Lukin for their work on the translation of verbal art. A brief pitch for slotting Jakobson into model, to which much of my recent work has been dedicated (e.g., Miller 2012, in press) will also be made, along with some considerations on the space that a CL approach to the analysis of verbal art can be seen to have – and not have (e.g., Miller and Luporini, in press). The final section will offer some parting thoughts. Select References (cited in abstract only) Halliday M.A.K, MacIntosh A., Strevens P. 1964. The Linguistic Sciences and Language Teaching. London: Longman. Hasan R. (1985 [1989]) Linguistics, Language and Verbal Art. Geelong, Vic., Australia: Deakin University Press; Oxford: OUP. Hasan R. 2007. ‘Private pleasure, public discourse: reflections on engaging with literature’, in D.R. Miller and M. Turci (eds), pp. 41-67. Lukin A. 2014. ‘A linguistics of style: Halliday on literature’, in J.J. Webster (ed.), The Bloomsbury Companion to M.A.K. Halliday. London and New York: Bloomsbury. Miller D.R. 2012. ‘Slotting Jakobson into the social semiotic approach to “verbal art”: A modest proposal’, in F. Dalziel, S. Gesuato, M.T. Musacchio (eds.), A Lifetime of English Studies: Essays in Honour of Carol Taylor Torsello. Padua: Il Poligrafo, pp. 215-26. Miller D.R. in press. ‘Jakobson’s place in Hasan’s Social Semiotic Stylistics: “pervasive parallelism” as symbolic articulation of theme’, in W. Boucher and J. Liang (eds), Society in Language, Language in Society: Essays in Honour of Ruqaiya Hasan. London: Palgrave Macmillan. Miller D.R. and Turci M. (eds.) (2007) Language and Verbal Art Revisited: Linguistic Approaches to the Study of Literature, London: Equinox. Miller D.R and Luporini A. in press. ‘Social Semiotic Stylistics and the corpus: How do-able is an automated analysis of verbal art?’, in A. Duguid, A. Marchi, A. Partington & C. Taylor (eds.), Gentle Obsessions: Literature, Linguistics and Learning: In Honour of John Morley (in Alto 2, University of Siena), Roma: Artemide Edizioni. Mukařovský J. 1964. ‘Standard language and poetic language’, in P.L. Garvin (ed. and trans.), The Prague School Reader on Esthetics, Literary Structure and Style. Washington, D.C.: Georgetown University Institute of Languages and Linguistics, pp. 17-30. Mukařovský J. 1977. The Word and Verbal Art: Selected Essays by Jan Mukarovsky. J. Burbank and P. Steiner (eds. and trans.). London: Yale University Press. Mukařovský J. 1978. Structure, Sign and Function: Selected Essays by Jan Mukarovsky, J. Burbank and P. Steiner (eds. and trans.). London: Yale University Press. Simpson P. 2014. Stylistics, 3rd edition. London: Routledge.