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Reporting of nitrogen-isotope abundances (Technical Report)

To eliminate possible confusion in the reporting of nitrogen-isotope analyses, the Commission on Atomic Weights and Isotopic Abundances recommends that the value 272 be employed for the 14 N/ 15 N value of N 2 in air for calculating atom percent 15 N from measured δ 15 N values.

Pure and Applied Chemistry↗

Reference materials for phase equilibrium studies. 2. Solid–liquid equilibria (IUPAC Technical Report)

This article is the second of three projected IUPAC Technical Reports on reference materials for phase equilibrium studies. The goal of this project was to select reference systems with critically evaluated property values for the verification of instruments and techniques used in phase equilibrium studies of mixtures. This report proposes seven systems for solid–liquid equilibrium studies, covering the four most common categories of binary mixtures: aqueous systems with organic solutes, aqueous systems with inorganic solutes, non-aqueous systems, and systems with low solubility. For each system, the available literature sources, accepted data, smoothing equations, and estimated uncertainties are given.

Pure and Applied Chemistry↗

National climate assessment technical report on the impacts of climate and land use and land cover change

This technical report responds to the recognition by the U.S. Global Change Research Program (USGCRP) and the National Climate Assessment (NCA) of the importance of understanding how land use and land cover (LULC) affects weather and climate variability and change and how that variability and change affects LULC. Current published, peer-reviewed, scientific literature and supporting data from both existing and original sources forms the basis for this report's assessment of the current state of knowledge regarding land change and climate interactions. The synthesis presented herein documents how current and future land change may alter environment processes and in turn, how those conditions may affect both land cover and land use by specifically investigating, * The primary contemporary trends in land use and land cover, * The land-use and land-cover sectors and regions which are most affected by weather and climate variability,* How land-use practices are adapting to climate change, * How land-use and land-cover patterns and conditions are affecting weather and climate, and * The key elements of an ongoing Land Resources assessment. These findings present information that can be used to better assess land change and climate interactions in order to better assess land management and adaptation strategies for future environmental change and to assist in the development of a framework for an ongoing national assessment.

Open-File Report↗

STREAMS guidelines: Standards for technical reporting in environmental and host-associated microbiome studies

The interdisciplinary nature of microbiome research, coupled with the generation of complex multi-omics data, makes knowledge sharing challenging. The Strengthening the Organization and Reporting of Microbiome Studies (STORMS) guidelines provide a checklist for the reporting of study information, experimental design and analytical methods within a scientific manuscript on human microbiome research. Here, in this Consensus Statement, we present the standards for technical reporting in environmental and host-associated microbiome studies (STREAMS) guidelines. The guidelines expand on STORMS and include 67 items to support the reporting and review of environmental (for example, terrestrial, aquatic, atmospheric and engineered), synthetic and non-human host-associated microbiome studies in a standardized and machine-actionable manner. Based on input from 248 researchers spanning 28 countries, we provide detailed guidance, including comparisons with STORMS, and case studies that demonstrate the usage of the STREAMS guidelines. STREAMS, like STORMS, will be a living community resource updated by the Consortium with consensus-building input of the broader community.

Nature Microbiology↗

Appendix C: Central sands lakes study technical report: Modeling documentation

This report provides the necessary documentation of the numerical models developed for the Central Sands Lake study in central Wisconsin and will be included as a technical appendix in the report to the Wisconsin State Legislature by the Wisconsin Department of Natural Resources (WDNR) in response to 2017 Wisconsin Act 10. This legislation directed WDNR to determine whether existing and potential groundwater withdrawals are causing or are likely to cause significant reduction of mean seasonal water levels at Pleasant Lake, Long Lake, and Plainfield Lake (s. 281.34(7m)(2)(b), Wis. Stats.) in Waushara County, Wisconsin. To evaluate the potential hydrologic connection between groundwater withdrawals and the nearby study lakes, hydrologic models were created that focused on the lakes of interest and yet were large enough to cover a broad enough region to extend to the major hydrologic boundaries of the natural flow system. The areas near the lakes require finer-scale grid discretization (or spacing) to better represent the lakes and streams in the model, but also need to cover a large enough area to include the groundwater withdrawal locations that have the potential to cause reduction in water levels in the lakes. To accomplish these goals, three groundwater models were created: a regional model extending to major hydrologic boundaries; and two inset models, inheriting boundaries from the regional model but focused near the lakes. Each of the inset models, in turn, included a detailed area close to the lakes surrounded by an area at the same spatial scale as the regional model (Figure 1). To support WDNR in evaluating the connection between groundwater withdrawals and lake levels, a representative time period was required over which to compare land use with and without irrigated agriculture and for WDNR to evaluate potential lake stage and flux changes related to irrigated agriculture. WDNR chose the climate period of 1981-2018 to be representative of a typical period and provided two land use scenarios—one with no irrigated agriculture and one with assumed crop rotations similar to current conditions—to simulate with groundwater models to, then, compare lake responses with. As a result, simulations over this climate record are not intended to recreate the history of 1981-2018 because land use changed over that time. These runs are, instead, intended to provide a basis on which to compare land use with and without irrigation-related groundwater withdrawals based on the current arrangement of land use and a varied climatic record. Groundwater withdrawals focused on irrigated-agriculture-related water use because greater than 95% of groundwater withdrawal in the two inset models around the study lakes is for irrigated agriculture water use. The period of 2012-2018 was used for parameter estimation (synonymously referred to as “history matching”) for the groundwater models. This time period was chosen because it includes the most complete water use records to simulate groundwater withdrawals. History matching was performed using groundwater elevations, lake stages, and streamflow observations over the 2012-2018 time period and processed observations derived from those raw data. Climatic data were incorporated into the model using a soil-water balance approach. A soil water balance model was constructed at the scale of the regional groundwater model to both calculate recharge based on land use and climate, and in the long-term climate-period runs, to estimate water use required by irrigated agriculture to apply as well boundary conditions in the groundwater model in the absence of reported water use values over that period.

Wisconsin↗

Assessment of international reference materials for isotope-ratio analysis (IUPAC Technical Report)

Since the early 1950s, the number of international measurement standards for anchoring stable isotope delta scales has mushroomed from 3 to more than 30, expanding to more than 25 chemical elements. With the development of new instrumentation, along with new and improved measurement procedures for studying naturally occurring isotopic abundance variations in natural and technical samples, the number of internationally distributed, secondary isotopic reference materials with a specified delta value has blossomed in the last six decades to more than 150 materials. More than half of these isotopic reference materials were produced for isotope-delta measurements of seven elements: H, Li, B, C, N, O, and S. The number of isotopic reference materials for other, heavier elements has grown considerably over the last decade. Nevertheless, even primary international measurement standards for isotope-delta measurements are still needed for some elements, including Mg, Fe, Te, Sb, Mo, and Ge. It is recommended that authors publish the delta values of internationally distributed, secondary isotopic reference materials that were used for anchoring their measurement results to the respective primary stable isotope scale.

Pure and Applied Chemistry↗

Atomic weights of the elements 2009 (IUPAC technical report)

The biennial review of atomic-weight determinations and other cognate data has resulted in changes for the standard atomic weights of 11 elements. Many atomic weights are not constants of nature, but depend upon the physical, chemical, and nuclear history of the material. The standard atomic weights of 10 elements having two or more stable isotopes have been changed to reflect this variability of atomic-weight values in natural terrestrial materials. To emphasize the fact that these standard atomic weights are not constants of nature, each atomic-weight value is expressed as an interval. The interval is used together with the symbol [a; b] to denote the set of atomic-weight values, A r (E), of element E in normal materials for which a ≤ A r (E) ≤ b. The symbols a and b denote the bounds of the interval [a; b]. The revised atomic weight of hydrogen, A r (H), is [1.007 84; 1.008 11] from 1.007 94(7); lithium, A r (Li), is [6.938; 6.997] from 6.941(2); boron, A r (B), is [10.806; 10.821] from 10.811(7); carbon, A r (C), is [12.0096; 12.0116] from 12.0107(8); nitrogen, A r (N), is [14.006 43; 14.007 28] from 14.0067(2); oxygen, A r (O), is [15.999 03; 15.999 77] from 15.9994(3); silicon, A r (Si), is [28.084; 28.086] from 28.0855(3); sulfur, A r (S), is [32.059; 32.076] from 32.065(2); chlorine, A r (Cl), is [35.446; 35.457] from 35.453(2); and thallium, A r (Tl), is [204.382; 204.385] from 204.3833(2). This fundamental change in the presentation of the atomic weights represents an important advance in our knowledge of the natural world and underscores the significance and contributions of chemistry to the well-being of humankind in the International Year of Chemistry 2011. The standard atomic weight of germanium, A r (Ge), was also changed to 72.63(1) from 72.64(1).

Pure and Applied Chemistry↗

Atomic weights of the elements 2011 (IUPAC Technical Report)

The biennial review of atomic-weight determinations and other cognate data has resulted in changes for the standard atomic weights of five elements. The atomic weight of bromine has changed from 79.904(1) to the interval [79.901, 79.907], germanium from 72.63(1) to 72.630(8), indium from 114.818(3) to 114.818(1), magnesium from 24.3050(6) to the interval [24.304, 24.307], and mercury from 200.59(2) to 200.592(3). For bromine and magnesium, assignment of intervals for the new standard atomic weights reflects the common occurrence of variations in the atomic weights of those elements in normal terrestrial materials.

Pure and Applied Chemistry↗

Isotope-abundance variations of selected elements (IUPAC technical report)

Documented variations in the isotopic compositions of some chemical elements are responsible for expanded uncertainties in the standard atomic weights published by the Commission on Atomic Weights and Isotopic Abundances of the International Union of Pure and Applied Chemistry. This report summarizes reported variations in the isotopic compositions of 20 elements that are due to physical and chemical fractionation processes (not due to radioactive decay) and their effects on the standard atomic-weight uncertainties. For 11 of those elements (hydrogen, lithium, boron, carbon, nitrogen, oxygen, silicon, sulfur, chlorine, copper, and selenium), standard atomic-weight uncertainties have been assigned values that are substantially larger than analytical uncertainties because of common isotope-abundance variations in materials of natural terrestrial origin. For 2 elements (chromium and thallium), recently reported isotope-abundance variations potentially are large enough to result in future expansion of their atomic-weight uncertainties. For 7 elements (magnesium, calcium, iron, zinc, molybdenum, palladium, and tellurium), documented isotope variations in materials of natural terrestrial origin are too small to have a significant effect on their standard atomic-weight uncertainties. This compilation indicates the extent to which the atomic weight of an element in a given material may differ from the standard atomic weight of the element. For most elements given above, data are graphically illustrated by a diagram in which the materials are specified in the ordinate and the compositional ranges are plotted along the abscissa in scales of (1) atomic weight, (2) mole fraction of a selected isotope, and (3) delta value of a selected isotope ratio.

Pure and Applied Chemistry↗

Atomic weights of the elements. Review 2000 (IUPAC Technical Report)

A consistent set of internationally accepted atomic weights has long been an essential aim of the scientific community because of the relevance of these values to science and technology, as well as to trade and commerce subject to ethical, legal, and international standards. The standard atomic weights of the elements are regularly evaluated, recommended, and published in updated tables by the Commission on Atomic Weights and Isotopic Abundances (CAWIA) of the International Union of Pure and Applied Chemistry (IUPAC). These values are invariably associated with carefully evaluated uncertainties. Atomic weights were originally determined by mass ratio measurements coupled with an understanding of chemical stoichiometry, but are now based almost exclusively on knowledge of the isotopic composition (derived from isotope-abundance ratio measurements) and the atomic masses of the isotopes of the elements. Atomic weights and atomic masses are now scaled to a numerical value of exactly 12 for the mass of the carbon isotope of mass number 12. Technological advances in mass spectrometry and nuclear-reaction energies have enabled atomic masses to be determined with a relative uncertainty of better than 1 ×10−7 . Isotope abundances for an increasing number of elements can be measured to better than 1 ×10−3 . The excellent precision of such measurements led to the discovery that many elements, in different specimens, display significant variations in their isotope-abundance ratios, caused by a variety of natural and industrial physicochemical processes. While such variations increasingly place a constraint on the uncertainties with which some standard atomic weights can be stated, they provide numerous opportunities for investigating a range of important phenomena in physical, chemical, cosmological, biological, and industrial processes. This review reflects the current and increasing interest of science in the measured differences between source-specific and even sample-specific atomic weights. These relative comparisons can often be made with a smaller uncertainty than is achieved in the best calibrated “absolute ” (=SI-traceable) atomic-weight determinations. Accurate determinations of the atomic weights of certain elements also influence the values of fundamental constants such as the Avogadro, Faraday, and universal gas constants. This review is in two parts: the first summarizes the development of the science of atomic-weight determinations during the 20th century; the second summarizes the changes and variations that have been recognized in the values and uncertainties of atomic weights, on an element-by-element basis, in the latter part of the 20th century.

Pure and Applied Chemistry↗

Atomic weights of the elements 2013 (IUPAC Technical Report)

The biennial review of atomic-weight determinations and other cognate data has resulted in changes for the standard atomic weights of 19 elements. The standard atomic weights of four elements have been revised based on recent determinations of isotopic abundances in natural terrestrial materials: cadmium to 112.414(4) from 112.411(8), molybdenum to 95.95(1) from 95.96(2), selenium to 78.971(8) from 78.96(3), and thorium to 232.0377(4) from 232.038 06(2). The Commission on Isotopic Abundances and Atomic Weights (ciaaw.org) also revised the standard atomic weights of fifteen elements based on the 2012 Atomic Mass Evaluation: aluminium (aluminum) to 26.981 5385(7) from 26.981 5386(8), arsenic to 74.921 595(6) from 74.921 60(2), beryllium to 9.012 1831(5) from 9.012 182(3), caesium (cesium) to 132.905 451 96(6) from 132.905 4519(2), cobalt to 58.933 194(4) from 58.933 195(5), fluorine to 18.998 403 163(6) from 18.998 4032(5), gold to 196.966 569(5) from 196.966 569(4), holmium to 164.930 33(2) from 164.930 32(2), manganese to 54.938 044(3) from 54.938 045(5), niobium to 92.906 37(2) from 92.906 38(2), phosphorus to 30.973 761 998(5) from 30.973 762(2), praseodymium to 140.907 66(2) from 140.907 65(2), scandium to 44.955 908(5) from 44.955 912(6), thulium to 168.934 22(2) from 168.934 21(2), and yttrium to 88.905 84(2) from 88.905 85(2). The Commission also recommends the standard value for the natural terrestrial uranium isotope ratio, N ( 238 U)/ N ( 235 U)=137.8(1).

Pure and Applied Chemistry↗

Isotopic compositions of the elements 2013 (IUPAC Technical Report)

The Commission on Isotopic Abundances and Atomic Weights (ciaaw.org) of the International Union of Pure and Applied Chemistry (iupac.org) has revised the Table of Isotopic Compositions of the Elements (TICE). The update involved a critical evaluation of the recent published literature. The new TICE 2013 includes evaluated data from the “best measurement” of the isotopic abundances in a single sample, along with a set of representative isotopic abundances and uncertainties that accommodate known variations in normal terrestrial materials.

Pure and Applied Chemistry↗

IUPAC Periodic Table of the Elements and Isotopes (IPTEI) for the education community (IUPAC Technical Report)

The IUPAC (International Union of Pure and Applied Chemistry) Periodic Table of the Elements and Isotopes (IPTEI) was created to familiarize students, teachers, and non-professionals with the existence and importance of isotopes of the chemical elements. The IPTEI is modeled on the familiar Periodic Table of the Chemical Elements. The IPTEI is intended to hang on the walls of chemistry laboratories and classrooms. Each cell of the IPTEI provides the chemical name, symbol, atomic number, and standard atomic weight of an element. Color-coded pie charts in each element cell display the stable isotopes and the relatively long lived radioactive isotopes having characteristic terrestrial isotopic compositions that determine the standard atomic weight of each element. The background color scheme of cells categorizes the 118 elements into four groups: (1) white indicates the element has no standard atomic weight, (2) blue indicates the element has only one isotope that is used to determine its standard atomic weight, which is given as a single value with an uncertainty, (3) yellow indicates the element has two or more isotopes that are used to determine its standard atomic weight, which is given as a single value with an uncertainty, and (4) pink indicates the element has a well-documented variation in its atomic weight, and the standard atomic weight is expressed as an interval. An element-by-element review accompanies the IPTEI and includes a chart of all known stable and radioactive isotopes for each element. Practical applications of isotopic measurements and technologies are included for the following fields: forensic science, geochronology, Earth-system sciences, environmental science, and human health sciences, including medical diagnosis and treatment.

Pure and Applied Chemistry↗

Review of footnotes and annotations to the 1949–2013 tables of standard atomic weights and tables of isotopic compositions of the elements (IUPAC Technical Report)

The Commission on Isotopic Abundances and Atomic Weights uses annotations given in footnotes that are an integral part of the Tables of Standard Atomic Weights to alert users to the possibilities of quite extraordinary occurrences, as well as sources with abnormal atomic-weight values outside an otherwise acceptable range. The basic need for footnotes to the Standard Atomic Weights Table and equivalent annotations to the Table of Isotopic Compositions of the Elements arises from the necessity to provide users with information that is relevant to one or more elements, but that cannot be provided using numerical data in columns. Any desire to increase additional information conveyed by annotations to these Tables is tempered by the need to preserve a compact format and a style that can alert users, who would not be inclined to consult either the last full element-by-element review or the full text of a current Standard Atomic Weights of the Elements report. Since 1989, the footnotes of the Tables of Standard Atomic Weights and the annotations in column 5 of the Table of Isotopic Compositions of the Elements have been harmonized by use of three lowercase footnotes, “g”, “m”, and “r”, that signify geologically exceptionally specimens (“g”), modified isotopic compositions in material subjected to undisclosed or inadvertent isotopic fractionation (“m”), and the range in isotopic composition of normal terrestrial material prevents more precise atomic-weight value being given (“r”). As some elements are assigned intervals for their standard atomic-weight values (applies to 12 elements since 2009), footnotes “g” and “r” are no longer needed for these elements.

Pure and Applied Chemistry↗

Isotope-abundance variations and atomic weights of selected elements: 2016 (IUPAC Technical Report)

There are 63 chemical elements that have two or more isotopes that are used to determine their standard atomic weights. The isotopic abundances and atomic weights of these elements can vary in normal materials due to physical and chemical fractionation processes (not due to radioactive decay). These variations are well known for 12 elements (hydrogen, lithium, boron, carbon, nitrogen, oxygen, magnesium, silicon, sulfur, chlorine, bromine, and thallium), and the standard atomic weight of each of these elements is given by IUPAC as an interval with lower and upper bounds. Graphical plots of selected materials and compounds of each of these elements have been published previously. Herein and at the URL http://dx.doi.org/10.5066/F7GF0RN2 , we provide isotopic abundances, isotope-delta values, and atomic weights for each of the upper and lower bounds of these materials and compounds.

Pure and Applied Chemistry↗

Clarification of the term “normal material” used for standard atomic weights (IUPAC Technical Report)

The standard atomic weights of the elements apply to normal materials. Since 1984, the Commission on Isotopic Abundances and Atomic Weights (Commission) has defined a normal material as: “The material is a reasonably possible source for this element or its compounds in commerce, for industry or science; the material is not itself studied for some extraordinary anomaly and its isotopic composition has not been modified significantly in a geologically brief period.” The term “a geologically brief period” in this definition is confusing, and confusion can be reduced by revising this definition to the following, which was accepted by the Commission on Isotopic Abundances and Atomic Weights at its meeting in Groningen, Netherlands in September 2017: “ Normal materials include all substances, except (1) those subjected to substantial deliberate, undisclosed, or inadvertent artificial isotopic modification, (2) extraterrestrial materials, and (3) isotopically anomalous specimens, such as natural nuclear reactor products from Oklo (Gabon) or other unique occurrences.”

Pure and Applied Chemistry↗