Quantitative determination of duloxetine and its metabolite in rat plasma by HPLC‐MS/MS

The major metabolite of duloxetine is a glucuronide conjugate of 4‐hydroxy duloxetine (4‐HD). However, interestingly, there have been no reports determining concentrations of 4‐HD and no fully validated method has been established for measuring duloxetine and 4‐HD in rat plasma. We developed a method for the simultaneous quantification of duloxetine and its metabolite in rat plasma using high‐performance liquid chromatography tandem mass spectrometry. Duloxetine and 4‐HD were analyzed on a reverse‐phase C₁₈ analytical column after protein precipitation of the plasma sample with methanol, using carbamazepine as an internal standard. The isocratic mobile phase of 5 mm ammonium acetate–methanol (4:6, v/v) was eluted at 0.4 mL/min. Quantification was performed on a triple‐quadrupole mass spectrometer using electrospray ionization, and the ion transition monitored in selective reaction monitoring mode. The coefficient of variation for assay precision was <18.0%, and the accuracy was 84.0–118.0%. This method was successfully used to measure the concentrations of duloxetine and its metabolite in plasma following the oral administration of a single 40 mg/kg dose in rats. Copyright © 2013 John Wiley & Sons, Ltd.     

以葡萄糖为碳源合成生物降解性聚酯的研究

利用从油田土壤中筛选的菌种ＤＧ１７ 以葡萄糖为碳源通过微生物发酵法合成了具有不同结构单元的新型生物可降解性聚合物———聚羟基脂肪酸酯（ＰＨＡｓ） ．初步研究了ＤＧ１７ 以葡萄糖为碳源的生物合成规律,并借助ＧＣ、ＮＭＲ 等分析手段对合成的聚合物进行了结构的分析表征,另外还研究了ＰＨＡｓ 的活性污泥降解情况．研究表明,在限氮条件下,只有碳氮比高于５后,ＤＧ１７ 才能在其体内合成ＰＨＡｓ．在过量碳源的存在下,氮磷比低,得到的聚合物是一种具长侧链的聚（ 羟基辛酸 ｃｏ 羟基癸酸） 的共聚物,为一种热塑性弹性体．在硫酸铵浓度为０－５ｇ／Ｌ,碳氮比为２０ 条件下合成的Ｐ（ＨＯ ｃｏ ＨＤ） 热塑性弹性体的数均分子量为１－１６ ×１０ － ５ ,分子量分散指数为２－４３ ．其玻璃化温度及熔融温度分别为Ｔｇ ＝ － ５２ ℃,Ｔｍ ＝ ５０ ℃．氮磷比高,则合成热塑性塑料ＰＨＢ．结果表明培养基中氮源与磷酸盐的相对浓度是影响ＤＧ１７ 生物合成路径的重要条件．     

舌体高光谱的高血压患者中合并冠心病的筛查方法

高血压合并冠心病是高血压疾病的一类严重合并症.目前高血压患者对合并冠心病的情况检测不及时,容易导致严重事件的发生,其致残率、致死率极高,严重影响患者的生活质量.因此对高血压患者合并冠心病的早期发现对预防更严重事件的发生显得尤为重要.舌体信息与心血管功能关系密切,为此,提出一种基于舌体高光谱用于高血压患者中合并冠心病筛查...     

The characteristics of O＋HD （v = 0, j = 0） reaction dynamics

The analytical potential energy function of HDO is constructed at first using the many-body expansion method.The reaction dynamics of O+HD(v = 0,j = 0) in five product channels are all studied by quasi-classical trajectory(QCT) method.The results show that the long-lived complex compound HDO is the dominant product at low collision energy.With increasing collision energy,O+HD → OH+D and O+HD → OD+H exchange reactions will occur with remarkable characteristics,such as near threshold energies,different reaction probabilities,and different reaction cross sections,implying the isotopic effect between H and D.With further increasing collision energy(e.g.,up to 502.08 kJ/mol),O+HD → O+H+D will occur and induce the complete dissociation into single O,H,and D atoms.     

The NMR indirect nuclear spin–spin coupling constant of the HD molecule

We present new calculated and experimental values of the NMR indirect nuclear spin–spin coupling constant in HD. In the quantum-chemical ab initio calculations, the full configuration-interaction (FCI) method is used, yielding an equilibrium value of 41.22?Hz in the basis-set limit. Adding a calculated zero-point vibrational correction of 1.89?Hz and a temperature correction of 0.20?Hz at 300?K, we obtain a total calculated spin–spin coupling constant of J _FCI(HD)?=?43.31(5)?Hz at 300?K. This result is within the error bars of the experimental gas-phase NMR value, J _exp(HD)?=?43.26(6)?Hz, obtained by extrapolating values measured in HD–He mixtures to zero density.     

High Resolution Crossed Beams Scattering Study of the F＋HD→DF＋H Reaction

Crossed beams scattering study was carried out on the F＋HD→DF＋H reaction using high- resolution H-atom Rydberg tagging time-of-flight technique. Vibrational state-resolved differential cross sections were measured, with partial rotational state resolution, at eight collision energies in the range of 2.51-5.60 kJ/mol. Experimental results indicated that the product angular distributions are predominantly backward scattered. As the collision energy increases, the backward scattered peak becomes broader gradually. Dependence of product vibration branching ratios on the collision energy was also determined. The experimental results show that the DF products are highly inverted in the vibrational state distribution and the DF （v＇=3） product is the most populated state. Furthermore, the DF （v＇=l） product has also been observed at collision energy above 3.97 kJ/mol.     

Nuclear dynamics in the vicinity of a crossing seam: Vibrational spectrum of HD2 revisited

So far, most studies of the geometric phase effect have presumed that the phase is path‐independent; hence, one must supply another restriction concerning the boundary condition on the nuclear wave functions when dealing with nonsymmetric isotopomers of X₃ systems. We report calculations of the vibrational spectra of HD₂ using a recently proposed generalized Born–Oppenheimer (GBO) formalism. The calculations demonstrate that there are significant differences between the results calculated from the present GBO method and those based on the preceding presumption. © 2001 John Wiley & Sons, Inc. Int J Quant Chem 83: 279–285, 2001     

IM－DD SCM光波系统的非线性分析

本文在简要分析了激光器非线性机理的基础上,采用计算机模拟及数学归纳的方法,着重分析了IM-DDSCM光纤通信系统中各种非线性失真项的数目、幅度及其抑制方法,归纳出了落入各个信道中的各种非线性失真项的数目的数学表达式,推导出了非线性失真项的功率之和的计算公式;通过对计算结果的比较得知,激光器P-I曲线的非线性是影响系统非线性失真的主要因素,指出了利用预失真的方法补偿激光器P-I曲线非线性的影响。     

Comparison of different sampling heads applied for investigation of welding fume

Welding fume samples were collected in two Hungarian welding plants, where different types of steels were welded with metal active gas (MAG) welding. Welding fumes were sampled with “fixed point” and personal sampling techniques applying different sampling heads: Institute of Occupational Medicine (IOM) sampler and conical inhalable sampler (CIS) for the inhalable aerosol fraction and the Higgins-Dewell (HD) cyclone for the respirable fraction. When sampled, the welding fume samples were digested with the mixture of nitric acid and hydrogen peroxide in a closed vessel microwave digestion system. The Cr, Mn, Ni and Co contents of the solutions were determined by inductively coupled plasma atomic emission spectrometry (ICP-AES) and inductively coupled plasma mass spectrometry (ICP-MS). Iron was analysed only by the ICP-AES method. Metal concentrations of the workplace air were calculated for the three samplers, and the results were compared to each other. The differences of the metal concentrations determined by the different inhalable sampling heads, which were paired during the sampling, proved not to be significant. Therefore, the IOM and CIS heads can be equally used for the sampling of welding fume. Finally, the distributions of metals were determined between the inhalable and respirable fractions. Metal concentrations in the respirable aerosol fraction were 57-98% of the concentrations in the inhalable fraction. These high rates of metals in the respirable aerosol call the attention to the increased health risk of the welding fume.     

Application des orbitales atomiques perturbées au calcul de la constante de couplage entre les spins nucléaires de la molécule HD

Nuclear spin-spin coupling constant J _HD of the deuterated hydrogen molecule is determined by minimizing the self-coupling energy evaluated with the Gregson, Hall and Rees operator. The family of variational functions used is suggested by the form of the hydrogen-like atomic orbitals perturbed by this operator.The comparison of the results with those previously obtained with a different family of functions shows that it is necessary for those calculations to use a perturbated function which is as perfectly adapted to the perturbation in the immediate neighbourhood of the nucleus, as in the remainder of the molecular domain.