Paneth,IUPAC, and the Naming of Elements

The procedure for assigning names to elements by the International Union of Pure and Applied Chemistry involves establishing priority of discovery, then inviting the discoverers to suggest a name. This protocol is in contrast with the suggestions of Friedrich A. Paneth form 1947, who believed that the discoverers of an element have the undisputed right to name it. This difference in philosophy came to light during a workshop convened 10 years ago for the purpose of naming elements 104–109, when the discoverers of these elements contended that they were solely entitled to name them. During the debate, and in support of the name seaborgium for element 106, it was argued that gadolinium, samarium, gallium, einsteinium and fermium had been named after living scientists. The history of the naming of these elements demonstrates that this is not the case; Glenn T. Seaborg is the first scientist for whom an element was named during his lifetime.     

Wolfram oder Tungsten? Die Namen der chemischen Elemente

For unifying the chemical nomenclature the International Union of Pure and Applied Chemistry (IUPAC) has given actual recommendations which already influence our daily use in the naming of the elements. As a typical example taken the naming of element 74 – wolfram or tungsten – the historical delevopment of this more than two hundred years lasting controversy is highlighted.     

解读《有机化合物命名原则-2017》 ——新老命名原则的比较及常见取代基的命名

The differences between "Nomenclature of Organic Compounds-2017" and "Nonmenclature of Organic Chemistry (1980)" issued by Chinese Chemical Society are described. The general principles and numbering methods for naming substituent groups commonly used in organic chemistry for undergraduates are analyzed and explained; the proper systematic names are recommended to benefit classroom teaching and academic communication. Moreover, the principles such as systemization, standardization, simplification, uniformization, and "looking afterward" are proposed. Some recommendations are further presented:1) numbering the carbon skeleton of the substituent without compulsory numbering rule always begins at the point of attachment; 2) only preserving a minority of trivial names (common names); 3) naming methanoyl (formyl)-analogue groups following the name of methanoyl.     

Survey of the teaching and applications in radiochemistry in Latin American countries

Summary Missouri University, a recipient of a U.S. Department of Energy Radiochemistry Education Award Program (REAP) grant in 1999, has significantly expanded its education and research mission in radiochemistry. While MU had a viable radiochemistry program through existing faculty expertise and the utilization of the Missouri University Research Reactor, the REAP award allowed MU to leverage its resources in significantly expanding capabilities in radiochemistry. Specifically, the grant enabled the: (1) hiring of a new faculty member in actinide radiochemistry (Dr. Paul Duval); (2) support of six graduate students in radiochemistry; (3) purchase of new radiochemistry laboratory equipment; (4) more extensive collaboration with DOE scientists through interactions with faculty and graduate students, and (5) revised radiochemical curriculum (joint courses across disciplines and new courses in actinide chemistry). The most significant impact of this award has been in encouraging interdisciplinary education and research. The proposal was initiated by a joint effort between Nuclear Engineering and Chemistry, but also included faculty in biochemistry, radiology, and molecular biology. Specific outcomes of the REAP grant thus far are: (1) increased educational and research capabilities in actinide chemistry (faculty hire and equipment acquisition); (2) increased integration of biochemistry and radiochemistry (e.g., radiochemical analysis of uranium speciation in biological systems); (3) stronger interdisciplinary integration of molecular biology and radiochemical sciences (alpha-emitters for treating cancer); (4) new and more extensive interactions with national laboratory facilities (e.g., student internships at LANL and LLBL, faculty and lab scientist exchange visits, analytical measurements and collaboration with the Advanced Photon Source), and (7) new research funding opportunities based on REAP partnership.     

An N-heterocyclic carbene adduct of diatomic tin, :Sn[double bond, length as m-dash]Sn:

Reduction of an N-heterocyclic carbene (NHC) adduct of SnCl(2), viz. [(IPr)SnCl(2)] (IPr = :C{N(Dip)C(H)}(2); Dip = 2,6-diisopropylphenyl), with a magnesium(i) dimer, has afforded the first NHC complex of a row 5 element in its diatomic form, [(IPr)Sn[double bond, length as m-dash]Sn(IPr)]; a computational analysis of the complex indicates that it comprises a singlet state, doubly bonded tin(0) fragment, :Sn[double bond, length as m-dash]Sn:, datively bonded by two NHC ligands.     

Off the Beaten Track—A Hitchhiker's Guide to Beryllium Chemistry

This Minireview aims to give an introduction to beryllium chemistry for all less‐experienced scientists in this field of research. Up to date information on the toxicity of beryllium and its compounds are reviewed and several basic and necessary guidelines for a safe and proper handling in modern chemical research laboratories are presented. Interesting phenomenological observations are described that are related directly to the uniqueness of this element, which are also put into historical context. Herein we combine the contributions and experiences of many scientist that work passionately in this field. We want to encourage fellow scientists to reconcile the long‐standing reservations about beryllium and its compounds and motivate intense research on this spurned element. Who on earth should be able to deal with beryllium and its compounds if not chemists?     

A pharmaceutical information manager's viewpoint on R & D information resource management

An overview of the environment (from my perspective) related to information resource management in pharmaceutical R & D has been presented. Some notions of organizational preference (functional), employee selection (chemist turned information scientist), automation (user friendly, cost effective), and the value of project teams (information transfer) have been noted. Difficulties associated with keeping our innovative tools sharp were observed. Finally, we noted that our bottom line--productivity--should first consider what is useful (effectiveness) and then learn how to do it well--efficiency. Success in the management of information resources depends on the proactive delivery of information packets which find their way into problem solving and decision support for scientists or line managers.     

The first 'banana phase' found in an original Vorländer substance

D. Vorländer was the leading scientist in liquid crystal chemistry in the first half of the 20th century who discovered many of the building principles for liquid crystalline compounds. It was known that Vorländer also synthesized some compounds with a bent molecular shape. In this paper we show that one of these compounds indeed forms a mesophase (B₆) which is characteristic for the banana-shaped molecular structure.     

The role of chemometrics in single and sequential extraction assays: a review. Part II. Cluster analysis, multiple linear regression, mixture resolution, experimental design and other techniques

Single and sequential extraction procedures are used for studying element mobility and availability in solid matrices, like soils, sediments, sludge, and airborne particulate matter. In the first part of this review we reported an overview on these procedures and described the applications of chemometric uni- and bivariate techniques and of multivariate pattern recognition techniques based on variable reduction to the experimental results obtained. The second part of the review deals with the use of chemometrics not only for the visualization and interpretation of data, but also for the investigation of the effects of experimental conditions on the response, the optimization of their values and the calculation of element fractionation. We will describe the principles of the multivariate chemometric techniques considered, the aims for which they were applied and the key findings obtained. The following topics will be critically addressed: pattern recognition by cluster analysis (CA), linear discriminant analysis (LDA) and other less common techniques; modelling by multiple linear regression (MLR); investigation of spatial distribution of variables by geostatistics; calculation of fractionation patterns by a mixture resolution method (Chemometric Identification of Substrates and Element Distributions, CISED); optimization and characterization of extraction procedures by experimental design; other multivariate techniques less commonly applied.     

Determination of non-toxic and potentially toxic elements concentration and antioxidant capacity in selected natural and essential oils with high market values

Natural oils (NOs) and essential oils (EOs) are widely used in the food and beverage, medical, aromatherapy and cosmetic industries, but little is known about their elemental composition or antioxidant ability. Microwave-assisted acid digestion and inductively coupled plasma-optical emission spectroscopy were used to determine the non-toxic elements (Al, Ca, Cu, Fe, K, Mg, Na, Se and Zn) and potentially toxic elements (As, Cr, Cd, Mn, Ni and Pb) concentrations in 13 selected NOs and EOs. The per cent recoveries of laboratory-fortified blanks analysed for quality control were 94–110%. The elemental concentrations varied widely in NO and EO samples, as demonstrated by the large standard deviation obtained for some elements. The average levels of non-toxic elements (Al (14.5 ± 3.7 μg/g); Ca (278 ± 138 μg/g); Cu (7 ± 14 μg/g); Fe (16 ± 5 μg/g); K (36 ± 31 μg/g); Mg (56 ± 27 μg/g); Na (266 ± 277 μg/g); Se (0.7 ± 0.3 μg/g) and Zn (6.1 ± 2.6 μg/g)) were determined in NOs and EOs. Comparatively, low levels of potentially toxic elements (As (0.1 ± 0.2 μg/g); Cd (0.1 ± 0.0 μg/g); Cr (0.2 ± 0.1 μg/g); Mn (0.8 ± 0.1 μg/g); Ni (4.5 ± 2.2 μg/g); and Pb (0.3 ± 0.2 μg/g)) were obtained in the oils. Principal component analysis (PCA) revealed that the first two principal components explained 100% of the variability in the elemental concentrations. Na, Ca, Mg and K were the main contributors to PCA. Non-toxic element pairs were strongly correlated (R² > 0.9440) indicating a common source in these oils, but toxic element pairs were poorly correlated. Although toxic element concentrations were low, routine monitoring in oils is recommended. The antioxidant ability of NOs and EOs to potentially reduce free radicals, which are often involved in several degenerative diseases, such as ageing, stroke, diabetes and cancers was determined by DPPH (2,2-di(4-tert-octylphenyl)-1-picrylhydrazyl) free radical scavenging assay and ultraviolet-visible spectroscopy. Jasmine, castor and tea tree lemon oils were the best antioxidants. The oils in this study have the potential to replace artificial antioxidants used in foods, cosmetics and other products.     

Atsuhiro osuka

"If I were not a scientist, I would be a painter. The most significant scientific advance of the last 100 years has been the Haber-Bosch process for ammonia synthesis …?" This and more about Atsuhiro Osuka can be found on page 9970.     

Pushing the frontiers of hard and soft scorpionate chemistry

The preparation and structure of the first scorpionate complex of a group 16 element, [Te(kappa(2)-Tm(Me))(2)], is reported. It displays square planar geometry at the Te atom and two distinct ligand conformations. In addition, the first pyrazolylborate complex of a group 15 element, [Bi(Tp)(2)(pzH)Cl], has been synthesized and characterized.     

In memory of Mikhail V. Volkenshtein

Dedicated to the 90^th anniversary of his birth and to 10 years after his death. Professor and Associated Member of the USSR Academy of Sciences Mikhail V. Volkenshtein was an outstanding scientist well known by his work in physics, chemistry, and biophysics. Two scientific sessions of this Symposium were dedicated to the memory of this great scientist and opened with the lecture of Tatiana M. Birshtein. In the archive of T. M. Birshtein there is a letter by M. V. Volkenshtein, which was written in 1982 in reply on her request to present some necessary information for the paper in Polymer Science (Russia) dedicated to the 70^th anniversary of his birth. This letter gives one a good idea about both the scientific activity and bright personality of the author. T. M. Birshtein and A. A. Mercurieva translated the document and prepared this publication. The main text of the letter is below, it is typed by Italic to be distinguished from the comments.     

Speciation and legislation – Where are we today and what do we need for tomorrow?

In international legislation concerning trace elements in food, in the environment or in occupational health most regulations are based on the total element contents, and are frequently given as maximum limits or guideline levels. In contrast, only few regulations pay attention to the molecular species in which the elements are bound. The international legislation concerning contaminants in food is presently being established in the Codex Alimentarius, which is an independent United Nations organisation under the joint FAO/WHO Food Standards Programme. Development of the Codex General Standard for Contaminants and Toxins in Food provides the framework for future international legislation on metals as contaminants in food. For certain food additives, which include some essential minerals, speciation is an integral part of the set of specification criteria, because only certain defined chemical compounds are permitted as sources of the essential element. The development of more species-specific analytical and toxicological data, and improved communication with legislators will be necessary before it will become possible to lay down species-specific regulations in all the cases where the specialised scientist will consider it reasonable.     

Mikhail Kucherov: “The Experiment Confirmed my Hypothesis”

Named reactions are key points in the development of chemistry. Any competent chemist easily identifies the reaction named after Wittig, or Grignard, Diels–Alder, or Friedel–Crafts, Michael, or Favorsky. But how much do we can say about scientist who discovered it? This Essay is devoted to the transition‐metal‐catalyzed hydration of acetylenic hydrocarbons discovered by Russian chemist Mikhail Kucherov. This reaction is one of the most straightforward methods for the synthesis of carbonyl compounds. With it, in industry for a long time acetaldehyde was essentially manufactured from accessible unsaturated raw material—acetylene. This reaction is one of the first steps in the establishment of homogenous metal complex catalysis in organic synthesis. Herein, we described the history of this discovery and the role of many scientists in the development of research in this field. We would also like to show the life of Russian scientists in the latter half of the 19th century.     

Sadi Carnot: His Life and Achievements. Against the Historical Period–a Short Bibliographical Sketch

The life and work of Sadi Carnot are presented against the historical and political background existing in Europe before and after his birth. His achievements are analyzed and shown to reflect the influence that his family and education had on his development as a scientist, engineer, and military officer. In spite of his short life, the scientific consequences of his work have set the foundations of thermodynamics as we know it today.     

826例儿童发铅、锌、铜、铁、钙含量分析

探讨了东乡县儿童体内微量元素情况。对826例儿童发铅、锌、铜、铁、钙检测结果分各年龄组进行了分析。结果表明,826例儿童中发铅含量超标512例,占61．99％;发锌含量低标604例,占73．1％;发铜含量低标46例,占5．6％;发铁含量低标95例,占11．5％;发钙含量低标116例,占19．6％,占19．6％。5种元素含量与年龄有关,随着年龄增大,发铅、锌、铜、钙含量下降,发铁含量上升。分析表明,儿童铅污染、锌、钙缺乏程度相当普遍且严重。在儿童生长发育期进行常规的微量元素检测非常必要。     

Enhanced metabolite identification with MS(E) and a semi-automated software for structural elucidation

The identification of metabolites is almost exclusively done with liquid chromatography/tandem mass spectrometry (LC/MSMS) and despite the enormous progress in the development of these techniques and software for handling of data this is a time-consuming task. In this study the use of quadrupole time-of-flight (QTOF)-generated MS(E) and MS/MS data were compared with respect to rationalization of metabolites. In addition Mass-MetaSite, a semi-automated software for metabolite identification, was evaluated. The program combines the information from MS raw data, in the form of collision-induced dissociation spectra, with a prediction of the site of metabolism in order to assign the structure of a metabolite. The aim of the software is to mimic the rationalization of fragment ions performed by a biotransformation scientist in the process of structural elucidation. For this evaluation, metabolite identification in human liver microsomes was accomplished for 19 commercially available compounds and 15 in-house compounds. The results were very encouraging and for 96% of the metabolites the same structures were assigned using MS(E) compared with MSMS acquired data. The possibility of using MS(E) could considerably reduce the analysis time. Moreover, Mass-MetaSite performed well and the correct assigned structure, compared to manual inspection of the data, was picked in the first rank in ～80% of the cases. In conclusion MS(E) could be successfully used for metabolite identification in order to reduce time of analysis and Mass-MetaSite could alleviate the work of a biotransformation scientist and decrease the workload by assigning the structure for a majority of the metabolites.     

Nobel Prize for Our Advisor, Gerhard Ertl, Germany

The 2007 Nobel Prize for chemistry has been awarded on December 10th to the German scientist Gerhard Ertl for "his thorough studies of fundamental molecular processes at the     

(1) H-NMR-based metabolomic analysis of the effect of moderate wine consumption on subjects with cardiovascular risk factors

Moderate wine consumption is associated with health-promoting activities. An H-NMR-based metabolomic approach was used to identify urinary metabolomic differences of moderate wine intake in the setting of a prospective, randomized, crossover, and controlled trial. Sixty-one male volunteers with high cardiovascular risk factors followed three dietary interventions (28 days): dealcoholized red wine (RWD) (272mL/day, polyphenol control), alcoholized red wine (RWA) (272mL/day) and gin (GIN) (100mL/day, alcohol control). After each period, 24-h urine samples were collected and analyzed by (1) H-NMR. According to the results of a one-way ANOVA, significant markers were grouped in four categories: alcohol-related markers (ethanol); gin-related markers; wine-related markers; and gut microbiota markers (hippurate and 4-hydroxphenylacetic acid). Wine metabolites were classified into two groups; first, metabolites of food metabolome: tartrate (RWA and RWD), ethanol, and mannitol (RWA); and second, biomarkers that relates to endogenous modifications after wine consumption, comprising branched-chain amino acid (BCAA) metabolite (3-methyl-oxovalerate). Additionally, a possible interaction between alcohol and gut-related biomarkers has been identified. To our knowledge, this is the first time that this approach has been applied in a nutritional intervention with red wine. The results show the capacity of this approach to obtain a comprehensive metabolome picture including food metabolome and endogenous biomarkers of moderate wine intake.