Ab initio relativistic self-consistent-field (RSCF) wavefunctions for the diatomics Li2 and Be2

RSCF wavefunctions are calculated using the formalism of the authors. The results essentially agree with the non- relativistic calculations as expected because relativistic effects are negligible for these light atom diatomics.     

Determination of purines and pyrimidines in beer samples by capillary zone electrophoresis

Ten purine and pyrimidine bases were separated using capillary zone electrophoresis (CZE) with direct UV detection at 254 nm as well as mass spectrometric (MS) detection using an electrospray ionization (ESI) interface. For this purpose a carrier electrolyte composition compatible with both methods of detection containing 300 mM diethylamine (DEA) was selected. Limits of detection were in the range between 0.1 and 0.3 mg l⁻¹ and calibration plots were found to be linear over at least two orders of magnitude. The applicability of the developed method for the analysis of real samples was demonstrated for some beer samples. A series of “Lager” beer samples from different breweries in Europe as well as a number of completely different types of beers were investigated with respect to their content in the selected purine and pyrimidine bases using the developed CE method with UV detection at 254 nm.     

Fractionation analysis of manganese and zinc in beers by means of two sorbent column system and flame atomic absorption spectrometry

In the present article, a method of operational fractionation of Mn and Zn in beer using flame atomic absorption spectrometry was developed. The proposed fractionation scheme was based on use of a hydrophobic adsorbing resin Amberlite XAD7 (first column, 2 g resin bed) connected in a series with a strong cation exchanger Dowex 50Wx4 (second column, 1 g resin bed). After passing the samples of beers through the columns, distinct groupings of Mn and Zn species retained on the sorbents, i.e., hydrophobic fraction of polyphenols bound metal species and cationic metal species fraction, respectively, were determined in respective eluates obtained after complete recovery of Mn and Zn species with 10 ml of 2.0 mol l⁻¹ HNO₃ (first column) and 10 ml of 4.0 mol l⁻¹ HCl (second column). In addition, the effluents collected were analyzed prior to the evaluation of the third, residual fraction, presumably attributed to any hydrophilic anionic and inert metal species. The established fractionation patterns for Mn and Zn were discussed in reference to likely associations of metals with endogenous food bioligands and possible availability of the distinguished metal species classes. The quality of the results was proved by the recovery experiments.     

Preparation and Recognition Properties of Vanillin‐Imprinted Polymers

Some new molecularly imprinted polymers (MIPs) were prepared by different protocols involving vanillin as the imprinted molecule, methacrylic acid (= 2‐methylprop‐2‐enoic acid; MAA) as the functional monomer, and ethylene glycol dimethacrylate (EGDMA = 2‐methylprop‐2‐enoic acid ethane‐1,2‐diyl ester) as the cross‐linking agent. The adsorption property of the imprinted polymers was studied by UV spectrophotometry and HPLC. The results indicated that the porogen solvent had a certain influence on the adsorption performance of the polymer. The vanillin‐imprinted polymer MIP₁ prepared with MeOH as porogen, exhibited advantageous characteristics, i.e., a high binding activity, a good selectivity, and a rapid adsorption equilibrium. The binding parameters studied by Scatchard analysis established that there are two types of binding sites in MIP₁. Finally, by packing an SPE column (SPE = solid‐phase extraction) with the polymer MIP₁, the vanillin was separated and enriched successfully by this sorbent from the samples of Vanilla fragrans and beer.     

Understanding supply chain dynamics: A chaos perspective

Variability in orders or inventories in supply chain systems is generally thought to be caused by exogenous random factors such as uncertainties in customer demand or lead time. Studies have shown, however, that orders or inventories may exhibit significant variability even if customer demand and lead time are deterministic. In this paper, we investigate how this class of variability, chaos, may occur in a multi-level supply chain and offer insights into how to manage relevant supply chain factors to eliminate or reduce system chaos. The supply chain is characterized by the classical beer distribution model with some modifications. We observe the supply chain dynamics under the influence of various factors: demand pattern, ordering policy, demand-information sharing, and lead time. Through proper decision-region formation, the effect of various factors on system chaos is investigated using a factorial design. The degree of system chaos is quantified using the Lyapunov exponent across all levels of the supply chain. This study shows that, to reduce the degree of chaos in the supply chain system, the adjustment parameters for both inventory and supply line discrepancies should be more comparable in magnitude. Counter-intuitively, in certain decision regions, sharing demand information can do more harm than good. Similar to the bullwhip effect observed previously in demand, we discover the phenomenon of “chaos-amplification” in inventory across supply chain levels.     

啤酒主要成分的近红外光谱法测定

根据近红外光谱的振动吸收强度与有机分子官能团含量的线性关系,用偏最小二乘法,对啤酒的近红外光谱与其中的酒精度、原麦汁浓度以及总酸含量等3种主要成分进行了线性回归,并建立起相关的模型。用该模型对未知啤酒样品中的上述3种成分的含量进行预测,取得了令人非常满意的结果。可望作为啤酒厂的一种快捷而准确的检测方法予以推广。     

Improved analysis by liquid chromatography of iso-alpha acids

This paper shows that the liquid chromatography (LC) methods so far described in the literature for iso-alpha acids analysis are unsatisfactory. The main reasons for this are the failure of the advocated eluent systems to completely suppress trace metal activity of commercial LC columns and the lack of a stable reference iso-alpha acid. The trace metal problem can be solved by using a column packing material specifically designed for “Hop Acid” analysis and by adding ethylenediaminetetraacetate (EDTA) to the eluent. The reference problem is more difficult, but possibly a formulation of the iso-alpha acids in their acid form may be the answer. Chromatographic conditions changing the elution pattern of the individual iso-alpha acids are studied. This leads to better control of their co-elution in the analytical procedure.     

杂散光对分光光度计的影响

介绍了杂散光产生的原因以及杂散光的测试方法,并指出杂散光对光学系统的一些影响和危害,提出了减小及消除杂散光的措施.     

Voltammetric Electronic Tongue for the Qualitative Analysis of Beers

This paper deals with the application of a voltammetric electronic tongue (ET) towards beers classification. For this purpose, samples were analyzed using cyclic voltammetry without performing any sample pretreatment, albeit its dilution with distilled water. The voltammetric signals were first preprocessed employing Fast Fourier Transform (FFT). Then, using the obtained coefficients, responses were evaluated using three different clustering techniques: Principal Component Analysis (PCA), Partial Least Squares Discriminant Analysis (PLS‐DA) and Linear Discriminant Analysis (LDA). In this case, the ET has demonstrated a good capability to correctly discriminate and classify the different beer samples according to its type (Lager, Stout and IPA) and manufacture process (commercial and craft).     

Study of Chromatographic Fingerprint of the Flavor in Beer by HS-SPME-GC

The chromatographic fingerprint of the flavor in beer, which was obtained by analyzing 28 beer samples (6 tastes) from 4 breweries, was established by Headspace Solid-phase Microextraction coupled with Gas Chromatogram Flame Ionization Detector (HS-SPME-GC-FID). After Principal Component Analysis (PCA) and Hierarchical Clustering Analysis (HCA) were used to process the GC data, not only could 28 beer samples be classified into three main types (draft beer, traditional beer, and dark beer), but also the same main type of beer samples could be further classified individually according to the breweries and tastes. In addition, 18 volatile compounds were identified by Gas Chromatogram Mass Spectrum (GC-MS). The results showed that HS-SPME-GC-FID was convenient, rapid, and precise in classifying beer samples according to different main types, breweries, and even tastes. Therefore, the method established in this paper was potential to be used for the identification of beer types and even the quality control of beer.