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1.
To increase the biocatalytic activity of Escherichia coli CCZU-T15 whole cells, choline chloride/glycerol ([ChCl][Gly]) was firstly used as biocompatible solvent for the effective biotransformation of ethyl 4-chloro-3-oxobutanoate (COBE) into ethyl (S)-4-chloro-3-hydroxybutanoate [(S)-CHBE]. Furthermore, L-glutamine (150 mM) was added into [ChCl][Gly]–water ([ChCl][Gly] 12.5 vol%, pH 6.5) media instead of NAD+ for increasing the biocatalytic efficiency. To further improve the biosynthesis of (S)-CHBE (>99 % e.e.) by E. coli CCZU-T15 whole cells, Tween-80 (7.5 mM) was also added into this reaction media, and (S)-CHBE (>9 % e.e.) could be effectively synthesized from 2000 and 3000 mM COBE in the yields of 100 and 93.0 % by whole cells of recombinant E. coli CCZU-T15, respectively. TEM image indicated that the cell membrane was permeabilized and lost its integrity and when the cell was exposed to [ChCl][Gly]–water media with Tween-80. Clearly, this bioprocess has high potential for the effective biosynthesis of (S)-CHBE (>99 % e.e.).  相似文献   

2.
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.  相似文献   

3.
The reaction on 8-hydroxy quinoline-7-aldehyde azo compounds (HL n ) (where n = 1–5) with 4-amino-1,2-dihydro-2,3-dimethyl-1-phenylpyrazol-5-one to obtain HL n (where n = 6–10) have been characterized by means of TLC, melting point and spectral data, such as IR, 1H NMR, mass spectra and thermal studies. The X-ray diffraction patterns of two starting materials 8-hydroxy quinoline-7-aldehyde (start 1), 4-amino-1,2-dihydro-2,3-dimethyl-1-phenylpyrazol-5-one (start 2) and the ligands (HL5,10) are investigated in powder form. All the ligands have been screened for their antimicrobial activity against four local bacterial species, two Gram-positive bacteria (Bacillus cereus and Staphylococcus aureus) and two Gram-negative bacteria (Escherichia coli and Klebsiella pneumoniae) as well as against four local fungi; Aspergillus niger, Alternaria alternata, Penicillium italicum and Fusarium oxysporium. The results show that the azo ligands (HL n ) (where n = 1–5) have no antimicrobial activity against bacteria and fungi while most azomethine ligands (HL n ) (where n = 6–10) are good antibacterial agents against E. coli and K. pneumoniae as well as antifungal agents against P. italicum and A. alternata. The results were compared to standard substances (start 1) and (start 2). Among the azomethine ligands, HL10 was the most effective against the most microorganisms tested. The size of clear zone was ordered as p-(OCH3 < CH3 < H < Cl < NO2) as expected from Hammett’s constant (σ R ). Also, the ultrastructure study of the affected bacteria confirmed that HL8 is good antibacterial agent against E. coli and S. aureus.  相似文献   

4.
The kinetics of the hydrolysis of methyl cellulose (MC, DS 1.27 and 1.95) was studied by a two-step procedure, comprising partial hydrolysis in 1 M TFA in water and water/acetone at 120 °C for various time periods, labeling of generated reducing ends by reductive amination, complete depolymerization by methanolysis followed by trimethylsilylation, and gas chromatographic analysis of the two sets of partially O-methylated glucose derivatives. Rate constants of MCs were all in the order of 10?4 s?1. In aqueous TFA, overall rate of hydrolysis of the MC with lower DS was faster than of the MC with higher DS. When substituting half of the water by acetone, reaction was slowed down while selectivity regarding different O-methyl glucosyl residues increased. Compared to the parent glucosyl unit methylation at O-2 and at O-6 decreased rate of hydrolysis, while 3-O-methyl favored it especially in the early stage of the conversion of the macromolecules. Beside slight differences between the two MCs and reaction conditions, rate constants k i (i = position of methyl) followed the order k 36 ≈ k 3 > k 0 ≈ k 23 > k 6 > k 2 ≥ k 236 > k 26. For the higher substituted MC2 an initial slow phase with more pronounced differences of k i, followed by a faster less selective period was observed. Regioselectivity of hydrolysis with respect to methyl positions was expressed as standard deviation of k i and was between 16 and 46% depending on MC and conditions. Findings are discussed with respect to electronic effects, solvent-effect, H-bonding pattern and solution state.  相似文献   

5.
In an attempt to find single-source precursors, a series of small clusters of inorganic azides of indium (Br2InN3) n (n = 1–6) were studied using the dispersion correction density functional theory (wB97XD). The obtained (Br2InN3) n (n = 2–6) clusters have the core structures of 2n-membered ring with alternating indium and α-nitrogen atoms. The influences of cluster size (oligomerization degree n) on the structures, energies, IR spectra, and thermodynamic properties of clusters were discussed. The computed binding energies indicate the stability: 3A > 3B, 4B > 4C > 4A > 4D, 5E > 5D > 5B = 5C > 5A and 6I > 6C > 6D > 6G ≥ 6H > 6F > 6E > 6B > 6A. It is also found that (Br2InN3)2 and (Br2InN3)4 clusters possess higher stability than their neighbor sizes judged by the calculated second-order difference of energies (Δ2 E). Meanwhile, thermodynamic properties for (Br2InN3) n (n = 1–6) clusters increase with the increasing temperature and oligomerization degree n, and the oligomerizations are thermodynamically favorable at temperatures up to 800 K.  相似文献   

6.
Co-doped BiVO4, a visible-light-responsive photocatalytic semiconductor, was synthesized using a microwave hydrothermal method. The doped sample exhibited much higher photocatalytic activity for malachite green degradation under visible light irradiation than undoped BiVO4. Similarly, improved inactivation efficiency toward Escherichia coli and Chlamydomonas pulsatilla (green tide) were observed with Co-doped BiVO4. The degradation of malachite green by Co-doped BiVO4 reaches 99% within 90 min irradiation to visible light. Similarly, the inactivation of Escherichia coli reaches 81.3% in 5 h and Chlamydomonas pulsatilla reaches 65.6% in 1 h irradiation to visible light. The enhanced photoactivity is believed to be due to the increment of the visible light absorption range by narrowing the band gap energy. In addition, the highly exposed reactive (010) facets can efficiently capture the photoinduced electrons, promote charge separation, and reduce recombination probability. Thus, these findings provide mechanistic insight into the effectiveness of Co-doped BiVO4 semiconductors for the treatment of wastewater that contains industrial effluents and microorganisms.  相似文献   

7.
The antimicrobial effects of the cold plasma for the dental pathogenic microorganism propose a promising approach to the Denture Stomatitis (DS) treatment. However, it is crucial to understand that the complexity of the biofilm microenvironment may compromise the efficiency of the therapy. As one of the major issue for DS, Candida albicans biofilms (ATCC10231) formed on denture base resins were treated by cold Ar/O2 (2 %) plasma jet. Spatial viability of the biofilms was investigated with confocal scanning laser microscopy through evaluating their inside cross-section properties. Results showed Candida albicans biofilms with thickness of ~100 µm was completely inactivated by 8 min plasma treatment. Morphology change of the fungi was also observed by the scanning electron microscopy. Drug susceptibilities, the sessile minimum inhibitory concentration (SMIC50) of the biofilm for amphotericin B and fluconazole were decreased from >32 and >256 µg/mL to 8 and 64 µg/mL after 1 min’s plasma treatment, respectively. The reactive species produced from plasma were monitored by optical emission spectroscopy. The successfully inactivation of Candida albicans biofilms and the significant enhancement of its drug susceptibilities induced by the plasma released reactive species propose a promising strategy for the treatment of DS caused by drug-resistant Candida albicans biofilms.  相似文献   

8.
Oxygen surface exchange kinetics and diffusion were studied in Pr2NiO4?+?δ (PNO) by the isotope exchange method with gas phase equilibration in the temperature range of 600–800 °C and oxygen pressure range of 0.33–1.62 kPa. The oxygen heterogeneous exchange rate (rH), oxygen diffusion coefficient (D), rates of oxygen dissociative adsorption (ra), and oxygen incorporation (ri) were calculated along with the apparent activation energies of oxygen surface exchange and diffusion processes. The temperature dependence of rH was found to benon-linear in Arrhenius coordinates. The apparent activation energy changed from 1.4?±?0.2 eV at T?>?700 °C to 2.0?±?0.1 eV. This might be attributed to the change in the rate-determining stage of oxygen exchange for Pr2NiO4?+?δ at T ~?700 °C, because of a shift in the ratio between ra and ri caused by the difference in their activation energies. Possible reasons for the observed changes in the rate-determining stage are discussed.  相似文献   

9.
Controlled chemical transformation of water vapor in dielectric barrier discharge (DBD) of argon into hydrogen and hydrogen peroxide for its usability as in situ or ex situ H2 and H2O2 source are reported. Online analysis of the product gas mixture by conventional wet-chemical colorimetric method using buffered KI absorber solution revealed typical H2O2 G-value = 6.4 × 10?3 µmol J?1 (G-value defines as the number of molecules produced/consumed per 100 eV of energy; in SI unit G-value is expressed in µmol J?1) in the absence of ozone. On the other hand, H2 in product mixture analyzed in gas chromatograph-thermal conductivity detector (GC-TCD) with argon carrier revealed its G-value = 0.134 µmol J?1. Enhancements in products’ yields were explored by varying gas residence time inside the plasma zone, and applied voltage and frequency on the dielectric surfaces. Employing a double-DBD reactor, at applied high voltage ~2.5 kV mm?1 @50 Hz and gas residence time ~20 s resulted in the highest yields of H2O2. However, the H2 yield increased continuously with increase in gas residence time. On the other hand, the single-dielectric barrier surface reactors were more efficient for high and exclusive generation of ex situ H2 (e.g. maximum 1260 ppm; G-value typically 0.498 µmol J?1).  相似文献   

10.
A novel cyclopropane derivative, 1-cyano-N-p-tolylcyclopropanecarboxamide (C12H12N2O, Mr = 200.24) was synthesized and its structure was studied by X-ray diffraction, FTIR, 1H and 13C NMR spectrum and MS. The crystals are monoclinic, space group P2_1/c with a = 7.109 (4), b = 13.758 (7), c = 11.505 (6) Å, α = 90.00, β = 102.731 (8), γ = 90.00 °, V = 1097.6 (9) Å3, Z = 4, F(000) = 312, D c  = 1.212 g/cm3, μ = 0.0800 mm?1, the final R = 0.0490 and wR = 0.1480 for 1,375 observed reflections with I > 2σ(I). A total of 6,109 reflections were collected, of which 2,290 were independent (R int = 0.0290). Theoretical calculation of the title compound was carried out with HF/6-31G (d,p), B3LYP/6-31G (d,p), MP2/6-31G (d,p). The full geometry optimization was carried out using 6-31G(d,p) basis set, and the frontier orbital energy. Atomic net charges were discussed, and the structure-activity relationship was also studied. The preliminary biological test showed that the synthesized compound is bioactive against the KARI of Escherichia coli.  相似文献   

11.
The N-(2-pyridyl) 4-toluene sulfonamide as a free ligand (PTS) was prepared from the reaction of 2-amino pyridine and 4-toluenesulfonyl chloride in the presence of potassium hydroxide solution 1 M as a base and THF was used as a solvent. The complex tetrakis [N-(2-pyridyl) sulfonamide] di palladium (1) (Pd2L4) was also prepared from the reaction of PdCl2(CH3CN)2 using (PTS) in the presence of NaOH 0.5 M and its application in Heck and Suzuki reactions. This complex consists of a binuclear unit consisting of four ligands linked to two palladium atoms via the nitrogen of pyridines ring and the nitrogen of sulfonamides. These compounds were confirmed by FT-IR and 1H NMR spectroscopy. Moreover, the structure of the complex was studied by single-crystal X-ray diffraction method. The green crystal of Pd2L4 [L = N-(2-pyridyl) sulfonamide](1) was found to crystallize in the monoclinic space group C2/c with a = 18.2013(19), b = 19.7544(16), c = 17.2898(19) Å, β = 120.179(8) °; V = 5374.0(9) Å3; Z = 4; the final R 1 = 0.0894, wR 2 = 0.1754 (or 5867 observed reflections and 318 variables). The Pd–Pd distance is 2.567(2) Å. In addition, PTS and Pd2L4 presented different antibacterial behaviors. The free ligand was active against Staphylococcus aureus and Escherichia coli, but the complex was inactive against them.  相似文献   

12.
A simple, semi-empirical, generalized expression was developed for the LDF mass transfer coefficient k as a function of the half cycle time θ c that encompasses and transitions between the well-known regions governed by the long cycle time constant Glueckauf k and the short cycle time dependent k. This new expression can be used to estimate k = f(θ c ) for any system, irrespective of the loading and irrespective of θ c , no matter if k is in the cycle time dependent region or not. A three times wider transition region between the Glueckauf k and the cycle time dependent k was also established, with the Glueckauf LDF limit now valid for θ c  > 0.3 and the short cycle time limit now valid for θ c  < 0.01. When evaluating this region for several adsorbate-adsorbent systems, the minimum Glueckauf θ c spanned three orders of magnitude from thousands of seconds to just a few seconds, indicating a cycle time dependent k is not necessarily limited to what is normally considered a short cycle time. For virtually any θ c less than this minimum Glueckauf θ c , this new first-of-its-kind expression can be used to readily provide an accurate value of k = f(θ c ). Since the widely accepted half cycle time concept does not apply to the actual simulation of a multi-step, unequal step time, pressure swing adsorption process, the value of k = f(θ c ) from this new expression can be based on either the shortest cycle step in the cycle or a different value of k = f(θ c ) for each cycle step time in the cycle, with validity confirmed either by experiment or by process simulation using the exact solution to the pore diffusion equation.  相似文献   

13.
Effects of a cold atmospheric pressure plasma (CAPP) treatment on the germination, production of biomass, vigor of seedlings, uptake of water of wheat seeds (Triticum aestivum L. cv. Eva) were investigated. The CAPP treatment influence on the inactivation of microorganisms occurring on the surface of wheat seeds was investigated also. The so-called Diffuse Coplanar Surface Barrier Discharge generating a cold plasma in ambient air with high power volume density of some 100 W/cm3 was used for the treatment of seeds at exposure times in the range of 10–600 s. The optical emission spectroscopy and the electrical measurements were used for estimation of CAPP parameters. The obtained results indicate that the germination rate, dry weight and vigor of seedlings significantly increased for plasma treatment from 20 to 50 s. The plasma treatment of seeds led to an extensive increase in wettability and faster germination comparing with the untreated seeds. The growth inhibition effect of CAPP on the surface microflora of wheat seeds increased with the increase of the treatment time. The efficiency of the treatment of wheat seeds artificially contaminated with pure cultures of filamentous fungi decreased in the following order: Fusarium nivale > F. culmorum > Trichothecium roseum > Aspergillus flavus > A. clavatus.  相似文献   

14.
15.
The molecular and crystal structures of 1,2-bis(3,4-dimethoxyphenyl)ethane-1,2-dione (TMBZ = tetramethoxybenzil) were determined by a single-crystal X-ray diffraction, 1H NMR, and FT-IR spectroscopy. The compound TMBZ (C18H18O6, M r = 330.32) crystallized in the orthorhombic Fdd2 space group wherein: a = 39.145(4), b = 18.167(2), c = 4.3139(5) Å and β = 90°, Z = 8. The packing of the molecules in the crystal lattice is stabilized by intermolecular C–H?O contacts in the herringbone arrangement. The molecular geometry and harmonic frequencies of TMBZ in the ground state were calculated utilizing density functional (B3LYP) method with the 6-311++G(d, p)-basis set. The density functional theory optimized the geometric structure, and vibrational wave numbers of TMBZ in gas phase were compared with the experimental data. A complete assignment of the fundamentals was proposed based on the total energy distribution calculation.  相似文献   

16.
Calculations are made using the equations Δr G = Δr H ? TΔr S and Δr X = Δr H ? Δr Q where Δr X represents the free energy change when the exchange of absorbed thermal energy with the environment is represented by Δr Q. The symbol Q has traditionally represented absorbed heat. However, here it is used specifically to represent the enthalpy listed in tabulations of thermodynamic properties as (H T  ? H 0) at T = 298.15 K, the reason being that for a given substance TS equals 2.0 Q for solid substances, with the difference being greater for liquids, and especially gases. Since Δr H can be measured, and is tangibly the same no matter what thermodynamics are used to describe a reaction equation, a change in the absorbed heat of a biochemical growth process system as represented by either Δr Q or TΔr S would be expected to result in a different calculated value for the free energy change. Calculations of changes in thermodynamic properties are made which accompany anabolism; the formation of anabolic, organic by-products; catabolism; metabolism; and their respective non-conservative reactions; for the growth of Saccharomyces cerevisiae using four growth process systems. The result is that there is only about a 1% difference in the average quantity of free energy conserved during growth using either Eq. 1 or 2. This is because although values of TΔr S and Δr Q can be markedly different when compared to one another, these differences are small when compared to the value for Δr G or Δr X.  相似文献   

17.
The lowest energy structures and electronic properties of ErSi n (n = 3–10) and their anions were probed using the ABCluster global search technique combined with the PBE, TPSSh and B3LYP schemes. The lowest energy energies of neutral ErSi n (n = 3–10) can be regarded as substituting a Si atom of the lowest energy structure of Sin+1 with a Er atom. The additional electron effects on the geometries are very strong, resulting the lowest energy structures of ErSi n ? with n > 6 are different from their neutral counterparts. Starting from n = 7, the potential energy surfaces of ErSi n ? are very flat, resulting isomeric arrangements occur and functional dependence of the predicted most stable structures exist. The AEAs, VDEs and simulated PES of ErSi n (n = 3–10) are reported. Introducing Er to Si cluster can significantly improve photochemical reactivity of the cluster. The 4f electron of Er atom in ErSi4, ErSi n ? (n = 4, 7–10) prefers to take part in bonding. The total magnetic moments of ErSi n and their anions are mainly provided by the 4f electrons of Er atom. The dissociation energies of Er from ErSi n and their anions were evaluated to inspect relative stability.  相似文献   

18.
Recombinant Escherichia coli cells harboring nitrilase from Alcaligenes faecalis were immobilized using tris(hydroxymethyl)phosphine (THP) as the coupling agent. The optimal pH and temperature of the THP-immobilized cells were determined at pH 8.0 and 55 °C. The half-lives of THP-immobilized cells measured at 35, 40, and 50 °C were 1800, 965, and 163 h, respectively. The concentration of R-mandelic acid (R-MA) reached 358 mM after merely 1-h conversion by the immobilized cells with 500 mM R,S-mandelonitrile (R,S-MN), affording the highest productivity of 1307 g L?1 day?1 and the space-time productivity of 143.2 mmol L?1 h?1 g?1. The immobilized cells with granular shape were successfully recycled for 60 batches using 100 mM R,S-MN as substrate at 40 °C with 64% of relative activity, suggesting that the immobilized E. coli cells obtained in this study are promising for the production of R-MA.  相似文献   

19.
LRM (Low Rank Modification) is a mathematical method that produces eigenvalues and eigenstates of generalized eigenvalue equations. It is similar to the perturbation expansion in that it assumes the knowledge of the eigenvalues and eigenstates of some related (unperturbed) system. However, unlike perturbation expansion, LRM produces correct results however large the modification of the original system. LRM of finite-dimensional systems is here generalized to the combined (external and internal) modifications. Parent n-dimensional system A n containing n eigenvalues λ i and n eigenstates \({| {\Phi_i}\rangle}\) is described by the generalized n × n eigenvalue equation. In an external modification system A n interacts with another ρ-dimensional system B ρ which is situated outside the system A n . In an internal modification relatively small σ-dimensional subsystem of the parent system A n is modified. Modified system C n+ρ that contains external as well as internal modifications is described by the generalized (n + ρ) × (n + ρ) eigenvalue equation. This system has (n + ρ) eigenvalues \({\varepsilon_s}\) and (n + ρ) corresponding eigenstates \({| {\Psi_s}\rangle}\) . In LRM this generalized (ρn) × (ρn) eigenvalue equation is replaced with a (nonlinear) (ρ + σ) × (ρ + σ) equation which produces all eigenvalues \({\varepsilon_s \notin \left\{ {\lambda_i}\right\}}\) and all the corresponding eigenstates \({| {\Psi_s}\rangle }\) of C n + ρ. Another equation produces remaining solutions (if any) that satisfy \({\varepsilon_s \in \left\{ {\lambda_i}\right\}}\) . Those two equations produce exact solution of the modified system C n + ρ. If (ρσ) is small with respect to n, this approach is numerically much more efficient than a standard diagonalization of the original generalized eigenvalue equation. Unlike perturbation expansion, LRM produces exact results, however large modification of the parent system A n .  相似文献   

20.
The use..... of aqueous leaf extract of Lavandula × intermedia for biosynthesis of silver nanoparticles (AgNPs) is presented. The plant extract was obtained by boiling dried leaves and using the obtained filtrate for the synthesis of AgNPs. The study was conducted to investigate an ecofriendly approach to metal nanoparticle synthesis and to evaluate the antimicrobial potential of both the aqueous plant extract and resulting silver nanoparticles against different microbes using the disc diffusion method. The synthesis of silver nanoparticles was monitored using ultraviolet–visible (UV–v is) spectroscopy, which showed a localized surface plasmon resonance band at 411 nm and a shift of the band to higher wavenumber of 422 nm after 90 min of reaction. Powder X-ray diffraction analysis and transmission electron microscopy of the obtained AgNPs revealed their crystalline nature, with average size of 12.6 nm. Presence of elemental silver was further confirmed by energy-dispersive X-ray spectroscopy. Fourier-transform infrared spectroscopy confirmed presence of phytochemicals from Lavandula × intermedia leaf extract on the AgNPs. The AgNPs showed good antimicrobial activity with inhibition zone ranging from 10 to 23 mm; the largest inhibition zone (23 mm) occurred against Escherichia coli. Generally, the AgNPs displayed more antimicrobial activity against all investigated pathogens compared with Lavandula × intermedia leaf extract, and were also more active than streptomycin against Klebsiella oxytoca and E. coli at the same concentration. The silver nanoparticles showed prominent antimicrobial activity with a lowest minimum inhibitory concentration (MIC) value of 15 μg/mL against E. coli, K. oxytoca, and Candida albicans.  相似文献   

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