Elevated performances of SnS anodes with MWNTs as conductive agent for rechargeable lithium-ion batteries

SnS nanoparticles were mechanochemically synthesized and fabricated into electrodes with two kinds of conductive agents, acetylene black and multi-wall carbon nanotubes (MWNTs), respectively. The morphology and structure of as-synthesized SnS powder were characterized by scanning electron microscopy and X-ray diffraction. The electrochemical properties of as-prepared electrodes were investigated by discharge–charge test, cyclic voltammogram, and electrochemical impedance spectrum. By comparing the variation of the charge-transfer impedance R _ct at different discharge states, it was found that the value of R _ct of the electrode with MWNTs as conductive agent was less than that of the electrode with acetylene black as conductive agent. The electrode with MWNTs as conductive agent had preferable cycling performances, which was believed to be attributed to the tenacity and good conductivity of MWNTs.     

Modeling cup-burner minimum extinguishing concentration of halogenated agents

The minimum extinguishing concentration (MEC) of a fire suppression agent is usually determined by the standard cup-burner tests. Recently, a simple model based on extinction of Perfectly Stirred Reactors (PSR) was developed and validated in the prediction of the MECs for inert fire suppressants. The results show good agreement between the model predictions and the experimental data. Furthermore, the results confirmed that the MECs of inert agents are directly correlated to agent integrated heat capacities. In this paper, the model is extended to halogenated agents by adding detailed chemical kinetics of the halogenated agents to a detailed chemical mechanism of n-heptane. The consideration of reactive halogenated species as fire suppression agents increases the complexity in computing the stoichiometry, yet the use of the PSR approach simplifies interpretations relative to 1-d and 2-d simulations. Using this approach, the MEC of halogenated agents are computed and compared against experimental data. Two methods of computation were employed. In the first, “inert PSR” case, only the heptane reaction chemistry was included; so the agent acts solely as an inert and the solution provides a reference point for expected behavior if the agent acted as an inert. In the second, or “reactive PSR” case, agent-related chemistry was included. Good agreement is achieved for Halon 1301 (CF₃Br) and R-32 (CH₂F₂). The computed “inert PSR” values agreed very well with the experimental MEC data for most fluorinated agents, suggesting that chemical inhibition by these fluorinated agents is counter-balanced by the exothermic HF formation and some competing chemical reactions; thus the “net” inhibition is small. In contrast, the “reactive PSR” results show good agreement with brominated agents and are consistent with the known strong catalytic effect of such compounds. The causes for differences between experiment and predicted values are explored and discussed while strengths and limitations are considered.     

Chitosan Nanoparticles: Preparation and Application in Antibacterial Paper

Chitosan nanoparticles (CSNP) were obtained by H₂O₂ degradation of chitosan. Their morphology and size were determined by atomic force microscope (AFM), and the particles were found smooth and approximately 36 nm in size. CSNP-0.5% HAc solutions (1, 2, 5, and 10 mg/mL) were used in antibacterial paper by addition in pulp, impregnation, dispersion coating on the handsheets, and insufflation. The antibacterial activity of CSNP against Escherichia coli and Staphylococcus aureus was measured by the inhibition zone and bacterial reduction methods. Results showed that the antibacterial activity of CSNP was improved with the increase in concentration. For E. coli, at a CSNP concentration of 5 mg/mL, the antibacterial rate reached approximately 95%. However, for S. aureus, the antibacterial rate only reached 81%. In addition, the antibacterial activity of the antibacterial paper was determined by inhibition zone method. The paper prepared by insufflation had the greatest activity. For E. coli, at a CSNP concentration of 10 mg/mL, the inhibition zone reached 8.0 mm. For S. aureus, the inhibition zone was 6.8 mm.     

Unwanted combustion enhancement by C6F12O fire suppressant

Several agents are under consideration to replace CF₃Br for use in suppressing fires in aircraft cargo bays. In a Federal Aviation Administration (FAA) performance test simulating the explosion of an aerosol can, however, the replacements, when added at sub-inerting concentrations, have all been found to create higher pressure rise than with no agent, hence failing the test. Thermodynamic equilibrium calculations as well as perfectly-stirred reactor (PSR) simulations with detailed reaction kinetics, are performed for one of these agents, C₆F₁₂O (Novec 1230), to understand the reasons for the unexpected enhanced combustion rather than suppression. The high pressure rise with added agent is shown to depend on the amount of agent, and can only occur if a large fraction of the available oxidizer in the chamber is consumed, corresponding to stoichiometric proportions of fuel, oxygen, and agent. A kinetic model for the reaction of C₆F₁₂O in hydrocarbon–air flames has been developed. Stirred-reactor simulations predict that at higher agent loadings, the inhibition effectiveness of C₆F₁₂O is relatively insensitive to the overall stoichiometry, and the marginal inhibitory effect of the agent is greatly reduced, so that the mixture remains flammable over a wide range of conditions corresponding to those of the FAA test. The present findings are consistent with and support the earlier analyses for C₂HF₅ and CF₃Br, which were also evaluated in the FAA test.     

Porous rod-like MgO complex membrane with good anti-bacterial activity directed by conjugated linolenic acid polymer

The problem of infection in the tissue engineering substitutes is driving us to seek new coating materials. We previously found that conjugated linolenic acid (CLnA) has well biocompatibility and excellent membrane-forming property. The objective of this study is to endow the anti-bacterial activity to CLnA membra ne by linking with MgO. The results showed that the CLnA polymer membrane can be loaded with porous rod-like MgO and such complex membrane showed anti-bacterial sensitivity against gram-positive bacteria (Staphylococcus aureus) even at the low concentration (0.15 μg/mm²). In the present study, the best zone of inhibition got to 18.2 ± 0.8 mm when the amount of MgO reach 2.42 ± 0.58 μg/mm². It was deduced that the porous rod-like structure of MgO was directed by CLnA in its polymerization process. Such CLnA/MgO complex membrane can be helpful in the tissue engineering, medicine, food engineering, food preservation, etc. on the basis of its good anti-bacterial activity.     

Neutron-neutron correlation approach for 11Li halo structure investigation

The preemission of neutrons from ¹¹Li halo nuclei is considered. The present problems of investigation of ¹¹Li halo nucleus structure by means of the C _nn correlation function are briefly presented. The influence of the target screening on the halo neutron preemission is described. It is shown that, owing to the diminishing of the screening effect, the yield of preemission neutron pairs is expected to be much larger in the case of ¹²C than in the case of Si target. It is shown that a new experiment on a ¹²C target will allow one to solve the standing problems of C _nn and to test experimentally a recent new theory of C _nn. The text was submitted by the authors in English.     

Green Synthesis,Spectrofluorometric Characterization and Antibacterial Activity of Heterocyclic Compound from Chalcone on the Basis of in Vitro and Quantum Chemistry Calculation

2-amino-4-(4-bromophenyl)-8-methoxy-5,6-dihydrobenzo[h]quinoline-3-carbonitrile (ABDC) was synthesized by the reaction of (2E)-2-(4 bromobenzylidene) - 6 -methoxy-3,4-dihydronaphthalen-1(2H)-one (Chalcone) with malononitrile and ammonium acetate under microwave irradiation. Chalcone was synthesised by the reaction 4-bromobenzaldehyd, 6-methoxy-1,2,3,4-tetrahydro-naphthalin-1-one under the same condition. Structure of ABDC was conformed by ¹H and ¹³C NMR, FT-IR, EI-MS spectral studies and elemental analysis. The electronic absorption and fluorescence spectra of ABDC have been studied in solvents of different polarities, and the data were used to study the solvatochromic properties such as excitation coefficient, stokes shift, oscillator strength, transition dipole moment and fluorescence quantum yield. The absorption maximum and fluorescence emission maximum was observed red shift when increase solvent polarity n-Hexane to DMSO. ABDC undergoes solubilization in different micelles and may be used as a probe and quencher to determine the critical micelle concentration (CMC) of CTAB and SDS. The anti-bacterial activity of chalcone and its cyclized product ABDC was tested in vitro by the disk diffusion assay against two Gram-positive and two Gram-negative bacteria was determined with the reference of standard drug Tetracycline. Results showed that the ABDC is better anti-bacterial agent as compared to chalcone. The anti-bacterial activity was further supported by the quantum chemistry calculation.     

Universal properties and structure of halo nuclei

The universal properties and structure of halo nuclei composed of two neutrons (2n) and a core are investigated within an effective quantum mechanics framework. We construct an effective interaction potential that exploits the separation of scales in halo nuclei and treat the nucleus as an effective three-body system. The uncertainty from higher orders in the expansion is quantified through theoretical error bands. First, we investigate the possibility to observe excited Efimov states in 2n halo nuclei. Based on the experimental data, ²⁰C is the only halo nucleus candidate to possibly have an Efimov excited state, with an energy less than 7 keV below the scattering threshold. Second, we study the structure of ²⁰C and other 2n halo nuclei. In particular, we calculate their matter form factors, radii, and two-neutron opening angles.     

Synergistic Effect of Phosphorus-Containing Montmorillonite with Intumescent Flame Retardant in Polypropylene

Phosphorus-containing montmorillonite (P-MMT) was successfully prepared via intercalating resorcinol bis(diphenyl phosphate) (RDP) into montmorillonite (MMT) layers, and was utilized as a synergistic agent in the polypropylene/melamine pyrophosphate/pentaerythritol (PP/MPP/PER) intumescent flame retardant (IFR) system. The synergistic effect of P-MMT and IFR was investigated by dynamic mechanical analysis (DMA), thermogravimetry (TG), limiting oxygen index (LOI), UL-94 test, cone calorimeter test (CCT), and scanning electron microscopy (SEM). It was found that P-MMT could significantly improve the thermostability and flame retardancy of the PP/IFR composite. When 2.0 wt% P-MMT replaced the same amount of IFR in the composite, both the onset decomposition temperature (T _onset) and the maximum-rate decomposition temperature (T _max) of the PP/IFR composite were increased by more than 14°C. Meanwhile, the LOI value was increased from 29.5% to 32.5%, the UL-94 rating was enhanced from V-1 to V-0, and the heat release rate (HRR), total heat release (THR), and mass lose rate (MLR) were decreased dramatically, which proved that P-MMT had a good synergistic effect with IFR in flame retardant PP.     

Integration-mediated prediction enrichment of quantitative model for Hsp90 inhibitors as anti-cancer agents: 3D-QSAR study

The present study describes a systematic 3D-QSAR study consisting of pharmacophore modeling, docking, and integration of ligand-based and structure-based drug design approaches, applied on a dataset of 72 Hsp90 inhibitors as anti-cancer agents. The best pharmacophore model, with one H-bond donor (HBD), one H-bond acceptor (HBA), one hydrophobic_aromatic (Hy_Ar), and two hydrophobic_aliphatic (Hy_Al) features, was developed using the Catalyst/HypoGen algorithm on a training set of 35 compounds. The model was further validated using test set, external set, Fisher’s randomization method, and ability of the pharmacophoric features to complement the active site amino acids. Docking analysis was performed using Hsp90 chaperone (PDB-Id: 1uyf) along with water molecules reported to be crucial for binding and catalysis (Sgobba et al. ChemMedChem 4:1399–1409, 2009). Furthermore, an integration of the ligand-based as well as structure-based drug design approaches was done leading to the integrated model, which was found to be superior over the best pharmacophore model in terms of its predictive ability on internal [integrated model 2: R _(train) = 0.954, R _(test) = 0.888; Hypo-01: R _(train) = 0.912 and R _(test) = 0.819] as well as on external data set [integrated model 2: R _(ext.set) = 0.801; Hypo-01: R _(ext.set) = 0.604].     

Curing Behavior and Mechanism of Diglycidyl Ether of Bisphenol-A in the Presence of Poly (Amide–Amidic Acid) and 4,4′-Diaminodiphenylsulfone

Poly (amide-amidic acid) (PAA) and 4, 4′-diaminodiphenylsulfone (DDS) with varying molar ratios were used as co-curing agents to cure diglycidyl ether of bisphenol-A (DGEBA). The curing process was investigated. The differences between PAA and the conventional curing agents are discussed relative to the curing behavior and mechanism when cured with DGEBA. It was found that a lower temperature was needed to cure DGEBA when PAA was used as co-curing agent with DDS. There was only one step during the curing process of DGEBA and PAA, compared with the conventional curing agents (two steps). The activation energy (E) of the curing process of DGEBA with the co-curing agents, computed using model free estimations, was lower than that with DDS and PAA individually.     

Helicobacter Pylori in Vivo Diagnosis after Food Intake: Results of Simultaneous [15N]Urea Urine and [13C]Acetate Breath Tests

Abstract

The protocols for ¹³C and ¹⁵N H. pylori tests stipulate that the diagnostic agent should be taken on an empty stomach. It is presumed that food intake prior to the tests leads to less reliable test results due to a prolongation of the gastric residence time of the diagnostic agent urea. This might allow the bacteria to split a higher proportion of urea, resulting in an increased number of false positives. 12 probands received 150mg [¹⁵N]urea and 75 mg sodium [¹³C]acetate in 75 ml orange juice as a test drink. [¹⁵N]Urea served as an agent to diagnose gastric H. pylori colonization. The ¹⁵N tests were evaluated using a urine sample of the second hour after test start. [¹³C]Acetate served as a marker of the gastric emptying of water-soluble food including the urea under the influence of food intake. Breath air samples were taken to calculate the gastric emptying half life (EHL) and the apparent resorption time (RT) of the urea. The double tests were carried out four times within four weeks using identical test protocols but different     

Halo Structure of 19C via the (p,d) Reaction

 We have investigated the heaviest one-neutron halo candidate, the ¹⁹C nucleus. Few-body model calculations of cross-section angular distributions for the ¹⁹C(p,d)¹⁸C reaction together with test calculations carried out for the ¹⁷C(p,d)¹⁶C reaction at a low incident energy are presented for different possible halo-neutron configurations. We show that there is a clear distinction in particular between l _n  = 0 and l _n  = 2 halo transfers. The sensitivity of the cross sections to the assumed ¹⁹C single-neutron separation energy is discussed. Received October 13, 1999; revised November 25, 1999; accepted for publication April 29, 2000     

X‐ray fluorescent CT imaging of cerebral uptake of stable‐iodine perfusion agent iodoamphetamine analog IMP in mice

Using X‐ray fluorescent computed tomography (XFCT), the in vivo and ex vivo cerebral distribution of a stable‐iodine‐labeled cerebral perfusion agent, iodoamphetamine analog (¹²⁷I‐IMP), has been recorded in the brains of mice. In vivo cerebral perfusion in the cortex, hippocampus and thalamus was depicted at 0.5 mm in‐plane spatial resolution. Ex vivo XFCT images at 0.25 mm in‐plane spatial resolution allowed the visualisation of the detailed structures of these regions. The quality of the XFCT image of the hippocampus was comparable with the ¹²⁵I‐IMP autoradiogram. These results highlight the sensitivity of XFCT and its considerable potential to evaluate cerebral perfusion in small animals without using radioactive agents.     

Application of supercritical fluid extraction to the development of new potential biocides on the basis of garlic (<Emphasis Type="Italic">Allium sativum</Emphasis> L.)

Garlic (Allium sativum L.) extracts were obtained using CO₂-supercritical extraction. The extracts were separated into individual components by the preparative HPLC and GC methods. Some of the isolated substances (allicin, ajoene, diallyl disulfide, and diallyl trisulfide), along with their two synthetic analogues with disulfide structure, were tested as potential biocides using a number of test objects (Candida utilis, Bacillus cereus, Pseudomonas aurantiaca, and Escherichia coli). Some of the tested substances exhibited a high efficiency as biocides, in particular, against gram-negative cultures. The results obtained are indicative of good prospects of using sulfur-containing garlic components and their synthetic analogues as potential antimicrobial agents.     

Amphiphilic Core–Shell Nanocomposite Particles for Enhanced Magnetic Resonance Imaging

A scalable synthesis of magnetic core–shell nanocomposite particles, acting as a novel class of magnetic resonance (MR) contrast agents, has been developed. Each nanocomposite particle consists of a biocompatible chitosan shell and a poly(methyl methacrylate) (PMMA) core where multiple aggregated γ‐Fe₂O₃ nanoparticles are confined within the hydrophobic core. Properties of the nanocomposite particles including their chemical structure, particle size, size distribution, and morphology, as well as crystallinity of the magnetic nanoparticles and magnetic properties were systematically characterized. Their potential application as an MR contrast agent has been evaluated. Results show that the nanocomposite particles have good stability in biological media and very low cytotoxicity in both L929 mouse fibroblasts (normal cells) and HeLa cells (cervical cancer cells). They also exhibited excellent MR imaging performance with a T₂ relaxivity of up to 364 mM_Fe^?1 s^?1. An in vivo MR test performed on a naked mouse bearing breast tumor indicates that the nanocomposite particles can localize in both normal liver and tumor tissues. These results suggest that the magnetic core–shell nanocomposite particles are an efficient, inexpensive and safe T₂‐weighted MR contrast agent for both liver and tumor MR imaging in cancer therapy.     

Stabilizer specific interaction of gold nanoparticles with a thermosensitive polymer hydrogel

We report the experimental results on temperature-dependent studies of interactions between a novel biocompatible thermosensitive polymer hydrogel and different stabilizing agent capped gold nanoparticles (Au NPs) with particle size ranging from 5 to 20 nm. Stabilizing agents such as thioglycolic acid, tryptophan, and phenylalanine have been used as capping agents for Au NPs. The poly-N-isopropyl acrylamide-co-acrylic acid (pNIPAm-AAc) with 3.0 ± 0.7 μm in size was synthesized by radical polymerization of a selected mixture of N-isopropyl acrylamide (NIPAm), methylene-bis-acrylamide and acrylic acid (AAc). The capped Au NPs were mixed with a solution of pNIPAm-AAc hydrogel. The temperature-dependent properties of the mixture were studied by UV–vis spectroscopy, dynamic light scattering based particle size analysis, and transmission electron microscopy (TEM). The observations indicated change in the lower critical solution temperature (LCST) depending on the nature of the stabilizer, with hydrophobic ones lowering the value while hydrophilic stabilizers increasing the same. Also, the optical absorption due to Au NPs, when stabilized with hydrophobic groups, reduced significantly at above LCST along with significant blue shift of wavelength maximum.     

TEM observation of oxide scale formed on TiC single crystals with different faces

Cross-sectional observation of the oxide scale formed by oxidation of TiC single crystals with (100), (110) and (111) faces at 1500 °C for 30 min in a mixed gas of Ar/O₂ (P_O2=0.08 kPa) was performed by transmission electron microscope (TEM). The oxide scale was composed of outer (zone 2) and inner (zone 1) subscales. TEM and selected area electron diffraction combined with X-ray energy dispersion analysis showed that the zone 2 consists of rutile and pores and the zone 1 of carbon and titanium oxide, identified as Ti₃O₅ in the oxide scale formed on the (110) face. Zone 1 formed on the (100) and (111) faces showed crisscross patterns, in contrast to the (110) with the wavy lamellar pattern.     

Carbonic anhydrase inhibition with natural products: novel chemotypes and inhibition mechanisms

Five genetically distinct classes of carbonic anhydrases (CAs, EC 4.2.1.1) are present in organisms all over the phylogenetic tree (α-, β-, γ-, δ-, and ζ-families). These metalloenzymes catalyze CO₂ hydration to bicarbonate and protons. Inhibition of α-CAs from vertebrates, including humans, with sulfonamides was exploited clinically for decades for various classes of diuretics and systemically acting antiglaucoma agents, whereas newer inhibitors are used as topically acting antiglaucoma drugs, anticonvulsants, antiobesity, antipain and antitumor agents/diagnostic tools. Recently, novel interesting chemotypes, in addition to the sulfonamide and sulfamate were discovered, many of which are based on natural products, such as phenols/polyphenols, phenolic acids, and coumarins. Their detailed mechanism of inhibition has been explained by means of kinetic and X-ray crystallographic studies, and can be used for the rational drug design of other agents. Possible applications for these new chemotypes in drug design of CA inhibitors are envisaged and discussed in detail in this review.     

Quasifree proton scattering on halo nuclei as a tool for studying the neutron-halo structure

An experimental method is proposed for investigating the structure of the two-neutron halo in quasifree proton scattering on clusters of halo nuclei. This scattering process is studied in inverse kinematics by using a ⁶He beam incident to a stack of track emulsions. Preliminary data on the reaction ⁶He + p → ⁴He + p + X are compared with the results of simple kinematical calculations for quasifree proton scattering on the clusters forming the halo of the ⁶He nucleus.