Ion Abundance Ratios of Qualitative Analysis by GC-MS of 4 Common Drugs （Poisons / 法医学杂志

Objective To investigate the maximum allowable deviation of ion abundance ratios of characteristic fragment ions in common drugs （poisons） in blood by gas chromatography-mass spectrometry （GC-MS） method. Methods Four common drugs （poisons） （dichlorvos, phorate, diazepam and estazolam） were detected by GC-MS full scan mode after liquid-liquid extraction in two laboratories and under three chromatographic conditions. The deviations of ion abundance ratios of the four common drugs （poisons） in marked blood samples with concentrations of 0.5, 1.0, 2.0, 5.0 and 10.0 μg/mL were analyzed. At the same time, the false negative rates of ion abundance ratios were analyzed when the mass concentration was limit of detection （LOD）, 2LOD, limit of quantitation （LOQ） and 2LOQ, and the false positive rates of ion abundance ratios were analyzed with blank blood samples. Results Under the two laboratories, four common drugs （poisons） and three kinds of chromatography conditions, the differences in deviations of the ion abundance ratios of marked blood samples were not statistically significant （P>0.05）. More than 95% of the absolute deviations of the ion abundance ratios of the marked blood samples were within the range of ±10%, and more than 95% of the relative deviations were within the range of ±25%. In cases of low concentration （concentration less than 2LOQ） or low signal to noise ratio （3-15）, the false negative rate was less than 5% and the false positive rate was 0% when the relative deviation was greater than 50%. Conclusion The absolute deviations of ion abundance ratios of four common drugs （poisons） in marked blood samples are advised to have a determination range within ±10%, and the determination range of relative deviations within ±25%.

Supplementation of soft drinks with metallic ions reduces dissolution of bovine enamel

OBJECTIVE: The aim of this study was to evaluate the effect of the addition of metallic ions to carbonated drinks on their erosive potential. MATERIAL AND METHODS: Powdered enamel was added to carbonated beverages (Coca-ColaTM or Sprite ZeroTM and shaken for 30 s. The samples were then immediately centrifuged and the supernatant removed. This procedure was repeated 5 times with the beverages containing Cu2+, Mg2+, Mn2+ or Zn2+ (1.25-60 mmol/L). For Coca-ColaTM, the concentration of each ion that exhibited the highest protection was also evaluated in combination with Fe2+. The phosphate or calcium released were analyzed spectrophotometrically. Data were analyzed using ANOVA and Tukey's test (p<0.05). RESULTS: For Coca-ColaTM, the best protective effect was observed for Zn2+ alone (10 mmol/L) or in combination (1 mmol/L) with other ions (12% and 27%, respectively, when compared with the control). Regarding Sprite ZeroTM, the best protective effect was observed for Cu2+ at 15 and 30 mmol/L, which decreased the dissolution by 22-23%. Zn2+ at 2.5 mmol/L also reduced the dissolution of powdered enamel by 8%. CONCLUSIONS: The results suggest that the combination of metallic ions can be an alternative to reduce the erosive potential of Coca-ColaTM. Regarding Sprite ZeroTM, the addition of Cu2+ seems to be the best alternative. .

Evaluation of ionic degradation and slot corrosion of metallic brackets by the action of different dentifrices

OBJECTIVE: To evaluate the in vitro ionic degradation and slot base corrosion of metallic brackets subjected to brushing with dentifrices, through analysis of chemical composition by Energy Dispersive Spectroscopy (EDS) and qualitative analysis by Scanning Electron Microscopy (SEM). METHODS: Thirty eight brackets were selected and randomly divided into four experimental groups (n = 7). Two groups (n = 5) worked as positive and negative controls. Simulated orthodontic braces were assembled using 0.019 x 0.025-in stainless steel wires and elastomeric rings. The groups were divided according to surface treatment: G1 (Máxima Proteção Anticáries®); G2 (Total 12®); G3 (Sensitive®); G4 (Branqueador®); Positive control (artificial saliva) and Negative control (no treatment). Twenty eight brushing cycles were performed and evaluations were made before (T0) and after (T1) experiment. RESULTS: The Wilcoxon test showed no difference in ionic concentrations of titanium (Ti), chromium (Cr), iron (Fe) and nickel (Ni) between groups. G2 presented significant reduction (p < 0.05) in the concentration of aluminium ion (Al). Groups G3 and G4 presented significant increase (p < 0.05) in the concentration of aluminium ion. The SEM analysis showed increased characteristics indicative of corrosion on groups G2, G3 and G4. CONCLUSION: The EDS analysis revealed that control groups and G1 did not suffer alterations on the chemical composition. G2 presented degradation in the amount of Al ion. G3 and G4 suffered increase in the concentration of Al. The immersion in artificial saliva and the dentifrice Máxima Proteção Anticáries® did not alter the surface polishing. The dentifrices Total 12®, Sensitive® and Branqueador® altered the surface polishing.

OBJETIVO: avaliar in vitro a degradação iônica e corrosão do fundo do slot de braquetes metálicos submetidos à escovação com dentifrícios, realizando análises da composição química por Espectroscopia de Energia Dispersiva (EDS) e qualitativa por Microscopia Eletrônica de Varredura (MEV). MÉTODOS: foram selecionados 38 braquetes divididos aleatoriamente em quatro grupos experimentais (n = 7). Dois grupos (n = 5) funcionaram como controles positivo e negativo. Aparelhos ortodônticos simulados foram confeccionados com fios de aço inoxidável 0,019" x 0,025" e anéis elastoméricos. Os grupos foram divididos de acordo com o tratamento de superfície: G1 (Máxima Proteção Anticáries®); G2 (Total 12®); G3 (Sensitive®); G4 (Branqueador®); Controle Positivo (saliva artificial) e Controle Negativo (sem tratamento). Foram realizados 28 ciclos de escovação e avaliações antes (T0) e após (T1) o experimento. RESULTADOS: o teste de Wilcoxon indicou não existir diferença nas concentrações iônicas de titânio (Ti), cromo (Cr), ferro (Fe) e níquel (Ni) entre os grupos. O grupo G2 apresentou redução significativa (p < 0,05) na concentração do íon alumínio (Al) e os grupos G3 e G4 apresentaram aumento significativo (p < 0,05) nas concentrações do íon alumínio. A análise em MEV mostrou aumento nas características indicativas de corrosão dos grupos G2, G3 e G4. CONCLUSÃO: a análise por EDS revelou que os grupos controle e G1 não sofreram alterações na composição química. O grupo G2 apresentou degradação na quantidade de íons Al, e G3 e G4 sofreram aumento na concentração de Al. A imersão em saliva artificial e o dentifrício Máxima Proteção Anticáries® não alteraram o polimento de superfície. Os dentifrícios Total 12®, Sensitive® e Branqueador® alteraram o polimento de superfície.

Ion release from a composite resin after exposure to different 10% carbamide peroxide bleaching agents

OBJECTIVE: This in vitro study evaluated the influence of two 10% carbamide peroxide bleaching agents - a commercial product (Opalescence PF; Ultradent Products, Inc.) and a bleaching agent prepared in a compounding pharmacy - on the chemical degradation of a light-activated composite resin by determining its release of ions before and after exposure to the agents. MATERIAL AND METHODS: Thirty composite resin (Filtek Z250; 3M/ESPE) samples were divided into three groups: group I (exposed to Opalescence PF commercial bleaching agent), group II (exposed to a compounded bleaching agent) and group III (control - Milli-Q water). After 14 days of exposure, with a protocol of 8 h of daily exposure to the bleaching agents and 16 h of immersion in Milli-Q water, the analysis of ion release was carried out using a HP 8453 spectrophotometer. The values were analyzed statistically by ANOVA, Tukey's test and the paired t-tests. The significance level was set at 5%. RESULTS: After 14 days of the experiment, statistically significant difference was found between group II and groups I and III, with greater ion release from the composite resin in group II. CONCLUSIONS: The compounded bleaching agent had a more aggressive effect on the composite resin after 14 days of exposure than the commercial product and the control (no bleaching).

Ion-specific thermodynamical properties of aqueous proteins

Ion-specific interactions between two colloidal particles are calculated using a modified Poisson-Boltzmann (PB)equationandMonteCarlo(MC)simulations. PBequationspresentgoodresultsofionicconcentration profiles around a macroion, especially for salt solutions containing monovalent ions. These equations include not only electrostatic interactions, but also dispersion potentials originated from polarizabilities of ions and proteins. This enables us to predict ion-specific properties of colloidal systems. We compared results obtained from the modified PB equation with those from MC simulations and integral equations. Phase diagrams and osmotic second virial coefficients are also presented for different salt solutions at different pH and ionic strengths, in agreement with the experimental results observed Hofmeister effects. In order to include the water structure and hydration effect, we have used an effective interaction obtained from molecular dynamics of each ion and a hydrophobic surface combined with PB equation. The method has been proved to be efficient and suitable for describing phenomena where the water structure close to the interface plays an essential role. Important thermodynamic properties related to protein aggregation, essential in biotechnology and pharmaceutical industries, can be obtained from the method shown here.

Interações íon-específicas (dependentes do tipo de íon presente em solução) entre duas partículas coloidais são calculadas usando a equação de Poisson-Boltzmann (PB) modificada e simulações de Monte Carlo (MC). As equações de PB apresentam bons resultados de perfis de concentração nas proximidades de um macro-íon, principalmente para soluções salinas contendo íons monovalentes. Estas equações incluem não só interações eletrostáticas, mas também potenciais de dispersão, que têm origem nas polarizabilidades de íons e proteínas, permitindo a predição de propriedades íon-específicas de sistemas coloidais. Os resultados obtidos a partir da equação de PB modificada são comparados com outros obtidos por simulação de MC e por equações integrais. Diagramas de fase e o segundo coeficiente de virial são obtidos para diferentes sais e diferentes valores de pH e força iônica, em concordância com efeitos de Hofmeister observados experimentalmente. Interações efetivas obtidas por dinâmica molecular entre cada íon e uma superfície hidrofóbica foram incluídas na equação de PB, a fim de considerar a estrutura da água e efeitos de hidratação. O método mostrou-se eficiente e adequado para descrever fenômenos onde a estrutura da água nas proximidades da interface desempenha papel essencial. Propriedades termodinâmicas importantes, relacionadas com a agregação de proteínas, essenciais em biotecnologia e indústrias farmacêuticas, podem ser obtidas pelo método aqui apresentado.

Constitutive acetonitrile hydrolysing activity of Nocardia globerula NHB-2: Optimization of production and reaction conditions.

Nocardia globerula NHB-2 exhibited an intracellular acetonitrile hydrolysing activity (AHA) when cultivated in nutrient broth supplemented with glucose (10.0 g/l) and yeast extract (1.0 g/l), at pH 8.0, 30 degrees C for 21 hr. Maximum AHA was recorded in the culture containing 0.1 M of sodium phosphate buffer, (pH 8.8) at 45 degrees C for 15 min with 600 micromol of acetonitrile and resting cells of N. globerula NHB-2 equivalent to 1.0 ml culture broth. This activity was stable up to 40 degrees C and was completely inactivated at or above 60 degrees C. About five-fold increase in AHA was observed after optimization of culture and reaction conditions. Under the optimized conditions, this organism hydrolyzed various nitriles and amides such as propionitrile, benzonitrile. acetamide, and acrylamide to corresponding acids. This nitrile/amide hydrolysing activity of N. globerula NHB-2 has potential applications in enzymatic synthesis of organic acids and bioremediation of nitriles and amides contaminated soil and water system.

Influence of metal ions on pellet morphology and polygalacturonase synthesis by Aspergillus niger 3T5B8

The effects of cations addition on pellet morphology and polygalacturonase (PG) synthesis by Aspergillus niger 3T5B8 were studied and compared with a control system. Fe(II), Cu(II), Zn(II) and Mn(II) were added to the fermentation medium separately, and also as combined groups of cations. The addition of Fe2+ and/or Zn2+ ions was significantly positive to the enzyme production. A positive effect in the biomass content, however, was only obtained when the same metal ions were added separately. On the other hand, Cu2+ and Mn2+ ions had almost no effect on these parameters. The morphology of the pellets was studied by image processing techniques. Small pellets with small cores were usually obtained when Fe2+ and Zn2+ ions were individually or collectively added to the medium. The pellets produced in media containing Fe2+ or Zn2+ ions were compact, while the ones produced in a medium containing both cations were considered diffuse. Autolysis of the core was observed for large control pellets, due to the deficient nutrient transfer to the interior of the pellet. The pellets obtained in a medium containing both Fe2+ and Zn2+ ions were high enzyme producers, probably due to a loose morphology, induced by the presence of combined groups of metal ions in the medium, favoring the nutrient transfer.