微量热法比较黄连中四种生物碱的抗菌作用

采用微量热法研究和比较中药黄连中四种生物碱(BAs)的抗菌(大肠杆菌)作用。这四种生物碱分别为小檗碱、黄连碱、巴马汀和药根碱。用LKB-2277生物活性检测系统,以停留法测定了37 ℃时大肠杆菌在BAs作用下的热流功率-时间曲线,并记录生长速率常数k, 指数生长期和稳定期的最大热功率Pm, log、Pm, stat, 生长抑制率I, 传代时间tg,指数生长期的总产热量Qt, log,半数抑菌浓度IC50等热动力学参数。结果显示这四种生物碱具有相异的抗大肠杆菌生长代谢的作用,k, Pm, log和Qt, log值随BAs浓度的增加而相应的减少。综合分析k, Pm, log, Qt, log, I 和IC50值可以看出,BAs抑制大肠杆菌生长代谢强度按小檗碱、黄连碱、巴马汀、药根碱的顺序依次减弱。构效关系研究表明,母环C-2和C-3上连接的亚甲二氧基比甲氧基更能显著增强相应化合物的抗菌作用,而C-9和C-10上连接的亚甲二氧基或甲氧基对这种抗菌作用影响不大。     

Microcalorimetric investigation on antibacterial activity of the peptide from Plutella xylostella

The antibacterial activities of a kind of novel peptide from Plutella xylostella (pxCECA1) on methicillin-resistant staphylococcus aureus (MRSA) and Escherichia coli (E. coli) growth were investigated by microcalorimetry. The heat flow power–time curves of MRSA and E. coli growth in the presence of pxCECA1 were recorded using the 3114/3115 Thermal Activity Monitor Air Isothermal Calorimeter based on ampoule mode at 37 °C. Some parameters including growth rate constant k, maximum power output P _max, total heat output Q_t, generation time t _g, growth inhibitory ratio I, and half-inhibitory concentration of the drugs IC₅₀ were obtained to elucidate the antibacterial activity of pxCECA1. The results showed that k, P _max, and Q _t decreased, but I and t _g increased or delayed with the increase in pxCECA1 concentration. The IC₅₀ of pxCECA1 on E. coli was 6.122 μg mL^?1 and MRSA was 7.809 μg mL^?1. It could be concluded that pxCECA1 had stronger inhibitory effect on E. coli than MRSA. In vivo test was simultaneously performed using an E. coli and MRSA infection model to validate the antibacterial activity of pxCECA1. The results revealed that pxCECA1 with broad spectrum antimicrobial activities hopefully represented a class of promising substitute of antimicrobial agents.     

Thermal properties of ternary systems: The calculation of the standard enthalpy of solution for compounds in binary mixtures

An equation free of fitting parameters is proposed for calculating the standard heats of solution for compounds in nonaqueous binary mixtures. The parameters of the equation are the standard heats of solution of a compound in the components of the mixed solvent. Nonlinear ΔH ⁰(x) trends are reconstructed for solutions of water in i-PrOH + MeOH and MeCN + MeOH, t-BuOH in MeCN + MeOH, squalane in CHCl₃ + CCl₄ and C₆H₆ + CHCl₃, and hexadecane in MeOH + i-Pr₂O and in mixtures of butyl acetate, ethyl acetate, and 1,4-dioxane with 1-octanol. The standard heats of solutions are calculated for water in alcohol + alcohol, alcohol + aprotic solvent, and aprotic solvent + aprotic solvent mixtures     

Two acridones and two coumarins from the roots of Paramignya trimera

Two acridones, paratrimerins C (1) and D (2), and two coumarins, paratrimerins E (3) and F (4), were isolated from the CHCl₃ and EtOAc extracts of Paramignya trimera (Rutaceae), together with twelve known compounds (5–16). Their structures were elucidated on the basis of spectroscopic data. All isolated compounds possessed significant α-glucosidase inhibitory activity in a concentration-dependent manner, and showed more potent inhibitory activity, with IC₅₀ values ranging from 14.6 to 112.2 μM, than the positive control acarbose (IC₅₀, 214.5 μM). The biosynthesis of the isolated coumarins and acridones was proposed.     

Novel illudalane sesquiterpenes from Encephalartos villosus Lehm. antimicrobial activity

Phytochemical investigation of Encephalartos villosus Lehm. leaves afford two new illudalane sesquiterpenes namely Encephaldiene 1 and Encephaldiene 2 together with four known flavone glycosides, Luteolin-7-rutinoside, Luteolin-7-glucoside, Luteolin-7-rhamnoside and Apigenin-7-glucoside. The structures of the isolated compounds were elucidated by means of spectroscopic methods including 1D and 2D NMR experiments along with HRESIMS spectrometry. Antimicrobial activity of CHCl₃ and MeOH extracts was investigated. Both extracts showed antibacterial activity against Gram-positive bacteria Streptococcus pneumonia and Bacillus subtilis, and antifungal activity against Aspergillus fumigatus. While CHCl₃ extract showed additional activity against Gram-negative bacteria Escherichia coli.     

The effect of zinc(II) on the growth of <Emphasis Type="Italic">E . coli</Emphasis> studied by microcalorimetry

By using an LKB2277 Bioactivity Monitor, stop-flow mode, the power-time curves of E . coli at 37°C effected by zinc(II) were determined. Some parameters, such as growth rate constants k, inhibitory ratio I, the maximum heat production rate P _max heat output Q and the time in the maximum heat production t _max were obtained. According these parameters, we found that a low concentration of zinc(II) had a promoting action on the growth of E. coli, but a high concentration of zinc(II) had an inhibitory action. The toxicity of zinc(II) can also be expressed as half inhibitory concentration IC ₅₀ of zinc(II), i.e., 50% effective in this inhibition. The value of IC ₅₀ of zinc(II) on E. coliis 28.09 µg mL^-1. The assay is quantitative, inexpensive and versatile.     

Kinetics and Mechanism of Monomolecular Heterolysis of Commercial Organohalogen Compounds: XLI. Solvent Effect on the Rate of 3-Methyl-3-chloro-1-butene Solvolysis. Correlation Analysis of Solvation Effects and Role of Solvent Nucleophilicity

The kinetics of 3-methyl-3-chloro-1-butene solvolysis at 25°C in MeOH, EtOH, BuOH, i-BuOH, PentOH, 2-PrOH, 2-BuOH, HexOH, OctOH, t-BuOH, t-PentOH, cyclohexanol, and allyl alcohol was studied by the verdazyl method; v = k[C₅H₉Cl], SN1 + E1 mechanism. The reaction rate shows a satisfactory correlation with the parameter of the solvent ionizing power E _T and is independent of the solvent nucleophilicity.     

Cluster Formation of 1-Butanol–Water Mixture Leading to Phase Separation

Microscopic structures of 1-butanol (1-BuOH)–water mixtures in the presence and absence of salts are studied through the mass spectrometric analysis of clusters generated from the fragmentation of liquid droplets. The analysis of cluster structures provides information on the phase separation of 1-BuOH–water mixtures from the microscopic viewpoint. In a saturated solution of 1-BuOH in water, 1-BuOH exists as hydrated 1-BuOH clusters and self-associated 1-BuOH clusters. With further addition of 1-BuOH, a 1-BuOH rich phase is generated. When the salt (LiCl, NaCl, MgCl₂, etc.) coexists in the 1-BuOH–water mixtures, the cation is preferentially solvated by the 1-BuOH to form M ⁺(1-BuOH) _m or M ²⁺(1-BuOH) _m clusters: M ⁺ = Li⁺, Na⁺, Mg²⁺ = Mg²⁺, etc., m = 1, 2, 3, ... Since the formation of M ⁺(1-BuOH) _m corresponds to an increase of the self-associated 1-BuOH clusters in water, the presence of the salt induces the phase separation at lower 1-BuOH concentrations.     

Biomedical Applications of Scutellaria edelbergii Rech. f.: In Vitro and In Vivo Approach

In the current study, in vitro antimicrobial and antioxidant activities and in vivo anti-inflammatory and analgesic activities of Scutellaria edelbergii Rech. f. (crude extract and subfractions, i.e., n-hexane, ethyl acetate (EtOAc), chloroform, n-butanol (n-BuOH) and aqueous) were explored. Initially, extraction and fractionation of the selected medicinal plant were carried out, followed by phytochemical qualitative tests, which were mostly positive for all the extracts. EtOAc fraction possessed a significant amount of phenolic (79.2 ± 0.30 mg GAE/g) and flavonoid (84.0 ± 0.39 mg QE/g) content. The EtOAc fraction of S. edelbergii exhibited appreciable antibacterial activity against Gram-negative (Escherichia coli and Klebsiella pneumoniae) strains and significant zones of inhibition were observed against Gram-positive bacterial strains (Bacillus subtilis and Staphylococcus aureus). However, it was found inactive against Candida Albicans and Fusarium oxysporum fungal strains. The chloroform fraction was the most effective with an IC₅₀ value of 172 and 74 µg/mL against DPPH (1,1-Diphenyl-2-picryl-hydrazyl) and ABTS assays, in comparison with standard ascorbic acid 59 and 63 µg/mL, respectively. Moreover, the EtOAc fraction displayed significant in vivo anti-inflammatory activity (54%) using carrageenan-induced assay and significant (55%) in vivo analgesic activity using acetic acid-induced writing assay. In addition, nine known compounds, ursolic acid (UA), ovaul (OV), oleanolic acid (OA), β-sitosterol (BS), micromeric acid (MA), taraxasterol acetate (TA), 5,3′,4′-trihydroxy-7-methoxy flavone (FL-1), 5,7,4′-trihydroxy-6,3′-dimiethoxyflavone (FL-2) and 7-methoxy catechin (FL-3), were isolated from methanolic extract of S. edelbergii. These constituents have never been obtained from this source. The structures of all the isolated constituents were elucidated by spectroscopic means. In conclusion, the EtOAc fraction and all other fractions of S. edelbergii, in general, displayed a significant role as antibacterial, free radical scavenger, anti-inflammatory and analgesic agents which may be due to the presence of these constituents and other flavonoids.     

Spectrum-effect relationships between ultra performance liquid chromatography fingerprints and anti-bacterial activities of Rhizoma coptidis

The fingerprints of Rhizoma coptidis from various sources were established by ultra performance liquid chromatography (UPLC) and the anti-bacterial activities of R. coptidis on Escherichia coli (E. coli) growth was studied by microcalarimetry. The UPLC fingerprints were evaluated using similarity analysis (SA) and hierarchical clustering analysis (HCA). Some quantitative parameters obtained from the thermo-genic curves of E. coli growth affected by R. coptidis were analyzed using principal component analysis (PCA). The spectrum-effect relationships between UPLC fingerprints and anti-bacterial activities were investigated using canonical correlation analysis (CCA). The results showed that close correlation existed between the spectrum-effect relationships. Berberine, jateorrhizine and palmatine in the UPLC fingerprints might be the main anti-bacterial components. The anti-bacterial activities of R. coptidis were related with the main active constituents, along with the production place and the harvesting time of this herb, the latitude and longitude of the place. This work provides a general model of the combination of UPLC and microcalorimetry to study the spectrum-effect relationships of R. coptidis, which can be used to discover principle components of it on bioactivity.     

Microcalorimetry study on the microbial activity of permafrost on the Tibetan plateau of China

Microcalorimetric techniques had been used to study the influence of different physicochemical parameters on microbial growth in different permafrosts on the Tibetan plateau. The total heat evolution of the permafrost samples amended with glucose, Q _T , the values of microbial growth rate constant, k, and the heat output power, P _t , were calculated from the power–time (P–t) curves. It is observed that the same coverage vegetation show similar P–t curves, which strongly suggest that the permafrost microorganisms of the homology vegetation coverage have similar structures of community. Furthermore, the vegetation degradation turns out to have significant influence, that is, the better the status of vegetation is, the higher the values of k, CFU and Q _T are.     

Study of the growth of <Emphasis Type="Italic">Enterococcus faecalis</Emphasis>, <Emphasis Type="Italic">Escherichia coli</Emphasis> and their mixtures by microcalorimetry

In a majority of environments, microbes live as interacting communities. Microbial communities are composed of a mix of microbes with often unknown functions. Polymicrobial diseases represent the clinical and pathological manifestations induced by the presence of multiple infectious agents. These diseases are difficult to diagnose and treat and usually are more severe than monomicrobial infections. The interaction relationship between Enterococcus faecalis and Escherichia coli was researched using a Calvet calorimeter. Three mixtures of both bacteria were prepared in the following proportions: 20 + 80 % (0.2 mL E. faecalis + 0.8 mL E. coli), 50 + 50 % (0.5 mL E. faecalis + 0.5 mL E. coli) and 80 + 20 % (0.8 mL E. faecalis + 0.2 mL E. coli). Experiments were carried out at concentration of 10⁶ CFU mL^?1 and a constant temperature of 309.65 K. The differences in shape of graph of E. faecalis, E. coli and their mixtures were compared. Also, the thermokinetic parameters such as detection time (t _d), growth constant (k), generation time (G) and the amount of heat released (Q) were calculated.     

Experimental determination of k 0 nuclear data for the cesium radionuclides

The current (official) k ₀ nuclear data for the cesium radionuclides was determined circa 1987 and was partially adopted from older literature. In this work we aimed at the redetermination of experimental k ₀, Q ₀ and $\bar{E}$ _r factors with metrological care. The results are in good agreement with more recent results from other authors. Our Q ₀ and $\bar{E}$ _r values were 2–15 and 25 % different, respectively. The k ₀ factors were determined according to the cadmium subtraction technique, resulting in values 3–7 % different than the official ones. Our precision and accuracy is discussed.     

β-Helical structures of Boc-(L-Val-D-Val)6-OMe in the crystalline state and in chloroform

A conformational study was carried out on Boc-(L -Val-D -Val)₆-OMe in the crystalline state by X-ray and IR. and by ¹H-NMR. in chloroform. The dodecapeptide crystallizes from CHCl₃/EtOAc with a left-handed helical structure of the type ↑↓ β^5.6, and from CHCl₃/MeOH (or MeOH) with a different structure. In chloroform it forms three slowly interconverting species: one is a ↑↓ β^5.6 left-handed helical species, and the other two are most likely single-stranded β^4.4 helical species of opposite handedness. The double-stranded helical species is predominant in fresh solutions of samples obtained from CHCl₃/EtOAc. Because of the slow conversion or formation of this species some hours are needed to reach the conformational equilibrium in chloroform at 25°.     

Chemical Evaluation,In Vitro and In Vivo Anticancer Activity of Lavandula angustifolia Grown in Jordan

Lavandula angustifolia is the most widely cultivated Lavandula species for medicinal use. In this study, chemical and biological evaluation of L. angustifolia aqueous, methanol (MeOH), ethanol (EtOH), ethyl acetate (EtOAc), and chloroform (CHCl₃) extracts were conducted. Phytochemically, the extracts’ total phenol and flavonoid contents and their antioxidant potential were evaluated. Ethanol extract was analyzed by LC-MS. All extracts were screened in vitro for their antitumor potential using human breast cancer cell lines MCF-7 and MDA-MB-23. For the first time, the antiproliferative potential of the EtOH extract was tested in vivo using mice with induced breast cancer. Ethanol extract exhibited the best cytotoxicity and safety profile of the tested extracts, with IC₅₀ values of 104.1 µg/mL on MCF-7 and 214.5 µg/mL on MDA-MB-231 cell lines, respectively. In vivo, this extract revealed a reduction in tumor size by 43.29% in the treated group, compared to an increase in the tumor growth by 58.9% in the control group. Moreover, undetected tumor was found in 12.5% of the sample size. In conclusion, this study provides novel insight and evidence on the antiproliferative efficacy of L. angustifolia ethanol extract against breast cancer with potent anti-oxidant potential.     

Structural and thermodynamic consequencies of the interaction of conformational degrees of freedom of azomethines in the nematic phase

The interaction of the conformational degrees of freedom of azomethines in the nematic phase, which is induced by electronic donor-acceptor properties of the terminal substituents of the benzylideneaniline core is studied. These degrees of freedom related to the rotation angles φ _k around the bonds between the substituent and the aniline ring (φ₁) and also between the CH=N bridge and the aniline ring (ω₂) are characterized by the parameters Q _k = 〈cos²φ _k 〉. It is found that the interaction of these degrees of freedom is manifested in the linear dependence Q ₂(Q ₁). Within the phenomenological theory the effect of this interaction on changes δ _k in the Q _k values during the nematic liquid crystal-isotropic liquid phase transition is revealed along with the temperature T _NI and character of this transition. The derivation of previously established empirical dependences T _NI(Q _k ) is presented in the presence of direct and indirect steric effects of side substituents affecting the Q _k values. A diverse combination of δ _k signs in the nematic phase, which is a prerequisite for the conformational polymorphism of the nematic phases of azomethines, is shown.     

Experimental determination of k 0 , Q 0 , \bar{E}_{r} factors and neutron cross-sections for 41 isotopes of interest in Neutron Activation Analysis

The k ₀ -literature has been reviewed every decade but some of its nuclear data is still more than 30 years old. Sometimes Q ₀ values were adopted from the nuclear data at that time or were experimentally determined by only 1 laboratory. Other isotopes were listed with accurate pairs of (k ₀ , Q ₀ ) values but were also quoted as candidates for redetermination for different reasons (i.e. imprecise cadmium transmission factors, half-lives). In this work we aim at the experimental re-determination of k ₀ and Q ₀ values for 41 isotopes of analytical interest while introducing a methodology for simultaneous $ \bar{E}_{r} $ and Q ₀ determination employing N irradiation channels. In order to satisfy the metrological level required, up to 12 repeats per standard were irradiated in up to 4 irradiation channels of the Belgian Reactor 1 (BR1, SCK?CEN) having a wide spread in neutron characteristics. Our relative percentile differences to the literature values were usually ≤10 % for Q ₀ factors, ≥25 % for $ \bar{E}_{r} $ values and ≤4 % for k ₀ values. Our precision and accuracy are discussed thoroughly.     

Influences of levofloxacin salts on the metabolism of Escherichia coli by microcalorimetry

A microcalorimetric technique was used to evaluate the influence of both Levofloxacin lactate in sodium chloride injection (drug A) and Levofloxacin hydrochloride in sodium chloride injection (drug B) on the metabolism of Escherichia coli. By means of an isothermal calorimeter and ampoule method at 37 °C, the power-time curves of E. coli growth were obtained under different conditions. The parameters such as the growth rate constant k, maximum power output P _m, time t _m corresponding to the maximum power output and inhibitory ratio I of these two drugs were obtained. The results reveal that the inhibitory abilities enhance with increasing concentrations of the two drugs. The critical growth concentration and the half-inhibitory concentration IC₅₀ were 0.15 and 0.079 μg mL^?1 (for drug A), 0.13 and 0.061 μg mL^?1 (for drug B), respectively. These results show the drug A has slightly better inhibitory effect on E. coli than that of drug B.