The following examples illustrate how the list of ingredients of a tobacco product would be represented and quantified using three datasets:
Tobacco Ingredients (IT) is used for listing the tobacco ingredients and their attributes within the tobacco product under study.
Non-tobacco Ingredients (IN) is used for listing other ingredients and additives and their attributes as used in the tobacco product under study.
Ingredients Quantified (IQ) is used for representing the quantity of each ingredient (both tobacco and non-tobacco) by component of the tobacco product in which they are included. These values represent the design/formulation specification of the product, not experimentally determined values (as the latter would be represented in the Product Testing (PT) dataset, not shown here). (see note 1 – need to confirm this is true)
All three datasets make use of the SPTOBID variable to represent the tobacco product under study, and the STRFID (Substance Reference Identifier) variable to represent the ingredient name. STRFID must be assigned by study sponsors to be unique with regard to the attributes that describe it. If, for instance, the same ingredient varies on one or more attribute (e.g., a different manufacturer supplied a compound that is used in one component of the product than the same ingredient used in another component), STRFID must be unique for each use to reflect this difference, even if they share the same IUPAC name and CAS number.
The IT example below shows 4 types of tobacco listed as tobacco ingredients (STRFID) for the Tobacco Product CIG01A (SPTOBID). The variable ITSPECIF shows the specification (variety) of the first three tobaccos. ITCAT is used to indicate that Reconstituted Tobacco is a complex, purchased ingredient. ITCURMTH indicates the cure method. ITSPFL is used to indicate whether complex purchased ingredients were made to the applicants specification. RTOBMF indicates the reference tobacco master file (See note 2)
it.xpt
it.xpt
Row
DOMAIN
STUDYID
SPTOBID
STRFID
ITSPECIF
ITCAT
ITCURMTH
ITSPFL
RTOBMF
1
IT
TOB07
CIG01A
Burley Tobacco
NC 7LC
Air
MF5555555
2
IT
TOB07
CIG01A
Bright Tobacco
CC 1063
Flue
3
IT
TOB07
CIG01A
Oriental Tobacco
USDA Nicotiana Collection PI 552747
Sun
4
IT
TOB07
CIG01A
Reconstituted Tobacco
COMPLEX PURCHASED INGREDIENT
No
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The IN dataset example below shows the list of non-tobacco ingredients used in the tobacco product identified as CIG01A. Each unique ingredient is listed in STRFID. Where applicable, IUPAC name and CAS number are listed (IUPACNAM and CASNO, respectively). INCAT is used to indicate whether an ingredient is a single chemical substance or a complex purchased ingredient. INSPFL indicates whether complex purchased ingredients were made to the applicant's specification. Grade, purity, manufacturer name and ID number, and the reference tobacco master file number complete the dataset.
Finally, the IQ domain is used to represent the quantity (target, minimum and maximum) of each ingredient identified in STRFID that the product (SPTOBID) is designed to contain, with the units for these values represented in IQUNIT. The function of each ingredient is described in IQFUNCT. Ingredients that appear in more than one component of the tobacco product are quantified separately for each component.(see note 3) IQPARENT and IQLEVEL are used to identify the component/ingredient of which the ingredient in a record is a constituent component, and and at which level in the overall hierarchy the constituent ingredient appears. The following implementation rules apply:
IQPARENT must correspond to a value of STRFID in the same dataset. If parent is null, the ingredient is considered a top-level component and is assigned a value of "1" in IQLEVEL.
Records describing ingredients that are constituent ingredients of another ingredient/component listed in the dataset will have IQPARENT value equal to the STRFID of that ingredient/component. IQLEVEL will be set to n +1, where n=the parent record's value of IQLEVEL.
Every value of STRFID used in the IQ dataset that has an IQLEVEL >1 (See note 4) must have a matching value of STRFID in either:
The IT dataset (when IQCAT=TOBACCO INGREDIENT) or,
The IN dataset (when IQCAT=NON-TOBACCO INGREDIENT)
Therefore, IQCAT is required to relate ingredient quantity records in IQ to the associated ingredient attributes described in either IT or IN.
The concept map below illustrates the representation of the hierarchical relationships between a complex ingredient and its constituent ingredients in the IQ domain structure. The hypothetical parent ingredient has two constituent components, A and B. Additionally, B consists of two constituent components, B1 and B2. Therefore, there are a total of 5 ingredient records to be represented in the IQ domain: the parent ingredient, its two constituent components A and B, and B's two constituent components, B1 and B2.
The IQ dataset example illustrates the principles discussed above using a cigarette tobacco product:
Rows 1, 10, 13:
Show three top-level components of a cigarette product: tobacco filler, filter and cigarette paper, respectively. Their target, minimum and maximum quantities expressed in units of mg/cigarette are shown in IQTARG, IQMIN, IQMAX and IQUNIT. Because there is no parent component other than the finished product itself, IQPARENT is null, and IQLEVEL = 1, indicating that these are top-level ingredients/components of the finished product.
Rows 2-5:
Show the quantities of four types of tobacco used in the product. IQPARENT=Tobacco Filler and IQLEVEL=2, together indicating that these are constituents of the tobacco filler, a top level-component of the cigarette product.
Rows 6-7:
Show the quantities of Methylcellulose and 1,3-Butanediol, Both are constituent ingredients of Reconstituted Tobacco as indicated by IQPARENT. IQFUNCT shows that Methylcellulose functions as a binder and 1,3-Butanediol functions as a humectant. IQLEVEL=3 to show that these ingredients are at the 3rd level of the hierarchy.
Rows 8-9:
Show the quantities of two constituent ingredients that both function as a flavorant in the tobacco filler (as indicated by IQPARENT=Tobacco Filler).
Rows 11-12:
Show the quantities of two constituent ingredients that function as filtration and binder, respectively in the filter portion of the cigarette (Cellulose Filter A, a top-level component).
Rows 14-19:
Show the quantities and function of five constituent ingredients of the top-level component FSC Paper B (the cigarette paper).
