Impact and Friction Sensitivity of Energetic Materials:Methodical Evaluation of Technological Safety Features

Key methods developed and used in the USSR and in the Russian Federation to determine the impact and friction sensitivity of energetic materials and explosives have been discussed.Experimental methodologies and instruments that underlie the assessment of their production and handling safety have been described.Studies of a large number of compounds have revealed relationships between their sensitivity parameters and structure of individual compounds and compositions.The range of change of physical and chemical characteristics for the compounds we examined covers the entire region of their existence.Theoretical methodology and equations have been formulated to estimate the impact and friction sensitivity parameters of energetic materials and to evaluate the technological safety in use.The developed methodology is characterized by high-accuracy calculations and prediction of sensitivity parameters.     

Interaction of antipsychotic drug with novel surfactants: Micellization and binding studies

The interaction of cationic gemini surfactants(alkanediyl-α,ω-bis(alkyl dimethylammonium bromide)) with an antipsychotic drug(chlorpromazine hydrochloride(CPZ)) has been investigated. Various micellar and interfacial parameters have been deliberated by surface tension measurement to report the nature of interactions between drug and novel surfactant mixtures. The behavior of mixed systems, their compositions and activities of components have been analyzed in the light of Rubingh's theory. The results indicate synergism in the binary mixtures.The binding study between CPZ and surfactants has been done by spectroscopic techniques such as UV–visible and fluorescence. The results are discussed in the light of the use of gemini surfactants as promising drug delivery agents for phenothiazine drugs, and hence, improve their bioavailability.     

Efficient elimination and detection of phenolic compounds in juice using laccase mimicking nanozymes

Residual phenols in the juice can cause turbidity and affect its sensory quality.Laccase is used to remove phenolic compounds from fruit juice s.In order to overcome the shortcomings of natural laccase instability and high cost,in this work,we prepared a laccase mimic enzyme based on copper ion and adenosine monophosphate(AMP-Cu nanozymes).At the same mass concentration(1 mg·ml~(-1)), the catalytic activity of the nanozyme is about 15 times that of laccase.The AMP-Cu nanozymes had a higher V_(max) and a lower Km than laccase.The laccase mimic enzyme had a good stability under the condition of 30-90 ℃ and pH 6.It also maintained high catalytic activity at high salt concentrations and 9 days storage time.Furthermore,the AMP-Cu nanozyme s maintained an initial catalytic activity of about 80% after six consecutive cycles of reaction.The linear range of detection of phenolic compounds by AMP-Cu nanozymes was 0.1-100 μmol·L~(-1) with a detection limit of 0.033 μmol·L~(-1).The phenol removal rate of AMP-Cu nanozymes was much higher than that of laccase under different reaction times.When the reaction was performed for 5 h,the phenol removal rate of the fruit juice by AMP-Cu nanozymes was about 65%.The efficient removal of phenolic compounds from different juices by AMP-Cu nanozymes indicate s that they have good application prospect in the food juice industry.     

Synthesis and analysis of optically active triglycerides

Physical-chemical methods for steric analysis of asymmetrical triglycerides and 1,3-diglycerides have been investigated. Aliphatic triglycerides exhibit optical rotation at the D line and in the ultraviolet to 313 mμ when they contain greatly different fatty acid substituents, such as isobutyric, sorbic or others contrasted with plamitic and similars. However, optical rotation is not demonstrable with triglyceride antipodes which have only palmitic, oleic and similar component acids. Since their optical rotation is not apparent, they are called cryptoactive glycerides. Presence or absence of the piezoelectric effect permits diagnosis of antipode or racemate with crystalline tri- and diglycerides. Mixed melting point diagrams of one antipode and/or of the racemate with the triglyceride of unknown configuration can be used to identify the latter. X-ray diffraction patterns of antipode and racemic glycerides are different, and configuration assignment is possible by making comparisons. The optical rotation, α _d = +0.19°, of dolphin oil was found to be due to S(+)-methylethylacetic acid which occurs as a component acid in the triglycerides. The optical activity ofeuphorbiaceae triglycerides is discussed and some pertinent model compounds have been prepared. 2-Oleo-palmitostearin from fresh cocoa beans was found to be the racemic compound. Application of the Cahn-Ingold-Prelog R,S nomenclature to glycerides is outlined. Numerous glycerides have been synthesized in stereospecific form and their physical data are given. Some comments are made on stereospecific analysis of triglycerides without separating them.     

Interaction of cetyltrimethylammonium bromide with cefixime trihydrate drug at different temperatures and compositions: Effect of different electrolytes

Herein,conductivity measurements have been carried out to explore the interaction between cetyltrimethylammonium bromide(CTAB,a cationic surfactant) and antibiotic drug(cefixime trihydrate(CMT)) in water and also in occurrence of inorganic salts(NaCl,Na_2 SO_4 and Na_3 PO_4) over the temperature range of 303.15-323.15 K with an interval of 5 K.In all cases,two critical micelle concentrations(c~*) were achieved for the CMT-surfactant system.Addition of CMT drug to CTAB solution decreases the values of c~*which indicates the interaction between CMT and CTAB.Both values of c~*for CMT-CTAB mixture in the presence of salts are lower in magnitude compared to the aqueous medium which indicates that micellization of the CMT-CTAB mixed system is favorable in salt solution.The values of △G_m~0 were obtained to be negative indicating the spontaneity of the micellization process and the extent of spontaneity further increases by means of rising temperature.The obtained outcomes from the ΔHm0 and ΔSm0 values disclose that the interactions between CMT and CTAB are mostly electrostatic along with hydrophobic in nature.The thermodynamic parameters of transfer and enthalpy-entropy compensation phenomenon were also determined and discussed in detail.     

Interaction of cetyltrimethylammonium bromide with drug in aqueous/ electrolyte solution: A combined conductometric and molecular dynamics method study

Interaction between beta-lactum antibiotic drug ciprofloxacin hydrochloride(CFH)and cationic surfactant cetyltrimethylammonium bromide(CTAB)was performed conductometrically in aqueous as well as in the occurrence of different salts(NaCl,KCl as well as NH_4Cl)over the temperature range of 298.15–323.15 K at the regular interval of 5 K.CFH drug has been suggested for the treatment of bacterial infections such as urinary tract infections and acute sinusitis.A clear critical micelle concentration(CMC)was obtained for pure CTAB as well as(CFH+CTAB)mixed systems.The decrease in CMC values of CTAB caused by the addition of CFH reveals the existence of the interaction between the components and therefore it is the indication of micelle formation at lower concentration of CTAB and their CMC values further decrease in attendance of salts.A nonlinear behavior in the CMC versus T plot was observed in all the cases.The ΔG_m~0 values are found to be negative in present study systems demonstrated the stability of the solution.The values of ΔH_m~0 and ΔS_m~0 reveal the existence of hydrophobic and electrostatic interactions between CFH and CTAB.The thermodynamic properties of transfer for the micellization were also evaluated and discussed in detail.Molecular dynamic simulation disclosed that environment of water and salts have impact on the hydrophobic interaction between CFH and CTAB.In water and salts,CTAB adopts spherical micelle in which charged hydrophilic groups are interacted with waters whereas hydrophobic tails form the core of the micelle.This hydrophobic core region is highly conserved and protected.In addition,micelle formation is more favorable in aqueous Na Cl solution than other solutions.     

Variations in microbial populations in soils with different methane uptake rates

The rate of methane oxidation has been measured from under a variety of land uses and management practices on Rothamsted Experimental Station. All these sites have their management histories well documented, in many cases over centuries, and experience the same atmospheric inputs. We have found consistent patterns in methane oxidation rates associated with land use, where the rate of methane oxidation in unfertilized arable soil (c. 30 μg CH₄ m^-2 d^-1) is only 15 % that in undisturbed grassland and woodland soils (c. 200 μg CH₄ m^-2 d^-1). Investigation of the mechanisms regulating these differences have shown that they are microbially mediated. The microbial basis for differences in methane uptake rates are unclear, but probably involve three groups of microorganism, methanogens, methanotrophs and ammonia oxidisers. Using traditional enumeration techniques we show that soils under grassland and woodland have similar numbers of bacteria and also similar numbers of putative methane oxidisers (organisms of unknown identity, that can oxidise methane), but that an unfertilized arable soil has significant lower total bacterial numbers and also putative methane oxidisers. This study is extended to compare the capacities of the soils under the different land uses to metabolise multi-carbon compounds in addition to methane. Using a modification of the Biolog<reg> technique we demonstrate that the microbial populations in the soil under the woodland and grassland can metabolise a greater range of carbon compounds compared to the arable soil, as well as having higher methane oxidising capabilities. This revised version was published online in August 2006 with corrections to the Cover Date.     

Determination of physical properties for the mixtures of [BMIM]Cl with different organic solvents

Physical properties including refractive index, density, viscosity and conductivity for binary mixtures of 1-butyl-3-methyl imidazolium chloride ([BMIM]Cl) and different organic solvents at 298.15 K have been investigated. Ex-cess molar volumes have been calculated and obtained data has been fitted by the Redlich–Kister equation. The density and refractive index were found to increase with increasing concentration of [BMIM]Cl, however, excep-tions do exist as in the case of dimethyl sulfoxide (DMSO)/[BMIM]Cl. For DMSO/[BMIM]Cl, the density decreases with increasing concentration. The addition of different organic solvents was able to disrupt the interactions within mixtures, leading to free mobility of ions. The free mobility of ions has been found to enhance conductivity and decrease viscosity to varying extents in al mixtures studied. It has been observed that solubility parameters, dielectric constants and composition of the solvents used play a vital role in determining the resultant properties. The data obtained wil play an important role in understanding the effect of the addition of organic solvents in ILs to enhance their applicability.     

Controlled release and enhanced antibacterial activity of salicylic acid by hydrogen bonding with chitosan☆

Microcapsules of salicylic acid(SA)with chitosan were prepared by spray drying method.Various analytical methods were used to characterize the nature of microcapsules.Fourier-transform infrared spectroscopy(FTIR)confirmed the presence of intermolecular interactions between chitosan and SA.Particle size analysis showed that the average size of microcapsules ranged from 2 to 20 μm.Scanning electron microscopy(SEM)studies indicated that the microspheres were spherical and had a relatively smooth surface.Microbiological assay of antibacterial activity for SA and its microcapsules was measured using different bacterial strains.It was found that the antibacterial activity of SA was improved after the formation of microcapsules.The in vitro release profile showed that the microcapsules could control SA release from 1 h to 4 h.Kinetic studies revealed that the release pattern follows Korsmeyer–Peppas mechanism.Enhanced antibacterial activity of the SA microcapsules was attributed to the synergistic effects of intermolecular hydrogen-bonding interactions N–H?O and O–H?O_C between SA and chitosan.It was also confirmed by quantum chemical calculation.     

吲哚席夫碱类衍生物的合成及其抗HIV-1活性研究

设计、合成吲哚席夫碱类衍生物并研究其抗HIV-1活性。以3-吲哚甲醛衍生物为原料,在碱催化下与芳香胺发生缩合反应合成吲哚席夫碱类化合物,并采用通过 MTT 法测试了目标化合物在MT-4 细胞内的抗 HIV-1病毒株的活性。 合成了32个吲哚席夫碱类衍生物,其结构均通过1H NMR和MS加以确证。初步的生物活性结果测试表明,所合成的吲哚席夫碱类化合物对HIV-1均有优秀的抑制活性,并具有广谱的抗HIV-1活性。其中化合物31 (EC50 = 0.06 mol/L)展现出了最强的抗HIV-1活性,与阳性药物地拉韦啶 (DLV, EC50 = 0.57 mol/L)相当;同时,化合物31具有非常低的毒性,选择指数 (SI)高达2500,明显高于地拉韦啶 (DLV, SI = 1272.9)和依法韦仑 (EFV, SI = 321)。将吲哚和席夫碱两个药效团,能够得到高效、低毒的HIV-1逆转录酶抑制剂,为今后发展新型的HIV-1抑制剂提供了新思路。