ChemTHEATRE MANUAL(Ver. 2.1.2)

2020.02.27 revisedContents
１． Introduction ……………………………………………………………… 1
２． ChemTHEATRE Top Page……………………………………… 2

２−１．Released Entries and New arrival project
２−２．Menu bar …… 3

３． Project Search…… 2……………………………………… 4

３−１．Search Parameters …… 4
３−２．Project Summary …… 5
３−３．Project Details …… 6

４． Sample Search……………………………………………………… 8

４−１．Search Parameters …… 8
４−２．Sample Summary …… 8
４−３．Sample Details …… 10
４−４．How to export the data you need …… 13

５． Chemical Search……………………………………………… 15

５−１．Search Parameters …… 15
５−２．Chemicals Summary …… 15
５−３．Chemicals Details …… 16

６． Measured Data……………………………………………………… 17

６−１．Search Parameters …… 17
６−２．Measured Data Summary …… 17
６−３．How to export the data you need …… 17

７． Ecological risk assessment using ChemTHEATRE~Example for carrying out the risk assessment~…………… 18

７−１．How to find and export the measured data you need …… 18
７−２．How to import and use the data in AIST-MeRAM
7-2-1. Exposure assessment …… 21
7-2-2. Hazard assessment …… 24
7-2-3. Risk assessment …… 28

８．

Site Policy…… 21……………………………………………… 30

1. Introduction
ChemTHEATRE: Chemicals in the THEATRE [Tractable and Heuristic E-Archive for Traceability
and Responsible-care Engagement] is the platform to deposit and visualize monitoring data ofenvironmental contaminants more effectively than ever.
You can currently see so many monitoring data of environmental contaminants in scientific journals orreports by public organizations, but unfortunately you can see them in a variety of forms such as texts or
excel files. That leads to poor use of such valuable data, which can be input data for the modeling andmaterials for validation.
To tackle this problem and make use of these valuable data, we first put together such scattered data in one
database: ChemTHEATRE, properly and well organized. It will ensure traceability of chemicals and help you
simulate the environmental behavior and fate, or assess the risk. Moreover, ChemTHEATRE will make theprediction of global chemical pollution easier in cooperation with external database or other tools in near
future.

12. ChemTHEATRE

Top page

English⇄Japanese

Switchable!

２−１．Release Entries

andNew arrival project

Release Entries

Sample Top 10

The top ten sample groups which areregistered in ChemTHEATRE

Chemical Substance Top 10

The top ten Chemical groups which areregistered in ChemTHEATRE

Contributor Top 10

The top ten submitters of monitoringdata

New arrival project

The latest ten projects (Project ID, Submitter, Title, etc.)2２−２．Menu bar

Introduction

About

About ChemTHEATRE
ChemTHEATRE Wiki

ChemTHEATRE Wiki

Project Search

Search by project info. （p.4）

Sample Search

Search by sample info. （p.8）

Chemical Search

Search by chemical info. （p.15）

Resister your data:

Contact address for registration

register@chem-theatre.com

of your data

For inquiry:

Contact address for inquiry

info@chem-theatre.com

ChemTHEATREʼs Tweeter,
ChemTHEATREʼs Facebook

Indicates that the CAS Registry
Numbers® of the registeredchemical substances have been
confirmed by the Lookup service
Terms and conditions of use of

Site Policy

ChemTHEATRE

33. Project Search＜Project search Top＞

３−１．Search Parameters
Project ID

Project ID which is assigned by ChemTHEATRE

Sample Type

Select a Sample type from pull-down menu
(Biotic→Mammals, Birds, Reptiles …

Scientific Name

Abiotic→Water, Sediment …）

After selecting a Sample type, pull-down menu of Scientific names
categorized in the selected Sample Type shows up. Select one.

Tissue / Organ

After selecting Scientific Name, the pull-down menu of the registered
Tissues and Organs shows up.

KeywordSearch with keywords

Chemical Groups

Select a Chemical group from pull-down menu

Chemical Name

After selecting a Chemical Group, the pull-down menu of ChemicalNames categorized in the selected Chemical group shows up. Select one.

Collection Region

Region where the sample was collected.

Select one from pull-down

menu.
Collection Country

After selecting Region, the pull-down menu of the Country shows up.

Collection Year

Year when the sample was collected.

Input parameters and click. The list of the requested data will appear on the screen.
4３−２．Project Summary

Switch Descending/Ascending

Project ID

ID which ChemTHEATRE assigns to a paper, report or project→Click the ID to show the Project Details (p.6)

Submitter

Submitterʼs name and his/her affiliation name

Title

Project name (Title of his/her paper)

Samples

Link to the list of the samples used for the projectdoi

Digital Object Identifier related to the project→Click the icon to show the original paper

Measured Data

Link to the list of the measured data in the project

Register Date

Register date of the project and its data5３−３．Project Details

ID which ChemTHEATRE assigns to a paper, report or

Project ID

project
Submitter

Submitterʼs name and his/her affiliation name

Corresponding Author

Corresponding authorʼs name and his/her affiliation name

Release Date

Release date in ChemTHEATRE

Title

Project name (title of his/her paper or report)

doi

Digital Object Identifier of the paper related to the project→Click the doi to show the original paper

Grant

Information on research grantRegister Date

Register date in ChemTHEATRE

Update Date

Date of updating, revising the data in ChemTHEATRE

ChemicalChemical groups which are measured in the project→Expand to show the list of chemical names（p.7）

SampleScientific names of the samples which are used in the project→Expand to show the list of samples（p.7）

Measured Data

Click the icon to show the list of measured data

6

Click “+” to expand↓
Chemical names and sample IDs are displayed.
↓
Click the chemical names or Sample IDs to show the chemical details (p.16) or sample details (p.10).

7

４．Sample Search＜Sample Search Top＞

Show

the sampling

Show/Export the sample list,

points on a map

measured data of the selected0

samples

Switch Descending/Ascending

４−１．Search Parameters
See ３−１．
（p.4）

４−２．Sample Summary
Project ID

ID which ChemTHEATRE assigns to a paper, report or project→Click the ID to show the Project Details (p.6)

Sample ID

ID which ChemTHEATRE assigns to a sample used in the project→Click the ID to show the Sample Details (p.10)

Sample Type

Kinds of sample(Biotic→Mammals, Bird, etc. / Abiotic→Water, Sediment, etc.）

Sample Name

Scientific Name and Common Name are shown here.

TissueNames of Tissue, organs used in the projectCollection Country

Sampling country

Collection Year

Sampling year

Chemicals

Only chemical groups with measured data are shown here.

Measured Data

Click this icon to show the list of measured data
8

Click this button to show the sampling points on amap

9

４−３．Sample Details
Show/Hide blank data
Switchable

Sampling point is shown as a square only when
all of latitudes (From/To) and longitudes(From/To) are input.

Project

Project IDs in which
this sample is used
→Click the ID to show
the Project details (p.6)

ChemicalChemical Groups
measured by using thissample→ Expand to show thelist of chemical names（p.7）

Measured

Click the icon to showData

the measured data of
this sample

10General

Sample ID

試料 ID

info.

Sample Type試料タイプ（種類）

BioticTaxonomy ID

NCBI ⽣物分類 ID

Scientific Name

学名

Common Name

⼀般名

Collection Year

採取年

Collection Month

採取⽉

Collection Day

採取⽇

Sampling Time (Start/End)

サンプリング時間（開始時／終了時）

Sampling Time (AM PM)

サンプリング時間（午前・午後）

Sampling Duration

サンプリング継続時間

Weather (Start/End)

天候（開始時／終了時）

Temperature (℃)（Start/End）

温度（℃）（開始時／終了時）

Collection Region

採取地域

Collection Country

採取国Collection Area

採取地

Collection Latitude From

採取地の緯度（From）

Collection Latitude To

採取地の緯度（To）

Collection Longitude From

採取地の経度（From）

Collection Longitude To

採取地の経度（To）

Maps

マップ

Tissue/Organ

組織／臓器Tissue Lipid (%)

脂質含量（％）

Tissue Moist (%)⽔分含量（％）Sex

性別

Weight

重量

Weight Unit

重量単位

Length⻑さLength Unit

⻑さの単位

Length Type⻑さのタイプGrowth Stage

成⻑段階

Age

年齢

Disease

疾病

Generalinfo.

Biotic11

WaterSediment

Water Temperature (℃)(Start/End)

⽔温（℃）（開始時／終了時）

pH

pH

DO (mg/L)

溶存酸素量

Dissolved Oxygen (DO)EC (mS/m)

電気伝導率

Electrical Conductivity (EC)Salinity

塩分濃度

SS (mg/L)

浮遊物質/懸濁物質 Suspended solids /substance (SS)

Water Depth (m)

⽔の深度（m）

Transparency (m)

透明度（m）

Water Color

⽔の⾊

Sediment Temperature (℃)(Start/End)

底質の温度（℃）（開始時／終了時）

Sediment Depth (m)

底質の深度（m）

Sediment Appearance

底質の外観

Sediment Color

底質の⾊

Sediment Surface Color

底質表層の⾊Sediment Odor

底質の臭気

Sediment Impurities

底質中の不純物

Sediment Moisture (%)

底質の湿度（％）（採取時／測定時）(On Site / Analysis)
Ignition Loss (%) (On Site / Analysis)

強熱減量（％）（採取時／測定時）

Soil Depth (m)⼟壌の深度（m）

Wind Direction (Start / End)

⾵向（開始時／終了時）

Wind Speed (m/s) (Start / End)

⾵速（m/s）（開始時／終了時）

Flow Rate

流速

Humidity (%) (Start / End)

湿度（％）
（開始時／終了時）

Amount Of Collected Air (Start / End)

⼤気採取量（開始時／終了時）

Mean PM10

PM10 平均値

Mean Total Suspended Particles

総浮遊粒⼦

Sample Name

試料名

Uniq Code Type

固有コード種GeneralUniq Code

固有コード

info.

Remarks

備考

Register Date

登録⽇

Update Date

更新⽇

Soil

Air

12

平均値

４−４．How to export the data you need

Export samples (TSV)

Click this button to export the sample list, after
narrowing down the samples to ones you need; an
example is below. (p.13)（Tab-separated format）

Show the measured data of query results

Click this button to show the measured data together
with chemicals on the screen; an example is below. (p.14)

Export measured data (TSV)

Click this button to export the measured data list, after
narrowing down the data to ones you need; an example isbelow. (p.14) (Tab-separated format）=> Sample list（TSV file）exported by clicking this button is as below.

13

=> The measured data displayed on the screen is as below.

=>Measured data list（TSV file）exported by clicking this button is as below.

14

５．Chemical Search＜Chemical Search Top＞

５−１．Search Parameters
Chemical ID

ID which ChemTHEATRE assigns to a chemical

Chemical Group

Select a chemical group from the pull-down menu
（e.g.）Organochlorines-Dioxins

ChemicalSearch with keywords such as chemical names, IUPACCAS RN®

Search with CAS Registry Number®

Input parameters and click. The list of the requested data will appear on the screen.

５−２．Chemicals Summary
Chemical ID

ID which ChemTHEATRE assigns to a chemical→Click the ID to show the Chemical Details. (p.16)

Chemical Group

Chemical group which the chemical is categorized into

Chemical Name

Chemical nameIUPAC

IUPAC name of the chemical

PubChem

PubChem CID and the link to PubChem Compound records

CAS RN®

CAS registry number®

Synonyms

Common names, other names of the chemical

Samples

Click Samples to show the list of Sample IDs used to measure the chemical15

５−３．Chemical Details

Click

“＋”

↓
Expand↓Sample IDs
are displayed(See p.7)

Chemical ID

ID which ChemTHEATRE assigns to a chemical

ChemGroup

Chemical group which the chemical is categorized into

Chemical Name

Chemical nameIUPAC

IUPAC name of the chemical

Synonyms

Common names, other names of the chemical

PubChem

PubChem CID and the link to PubChem Compound
records

CAS RN®

CAS registry number®

Remarks

Remarks, link to Webkis-Plus

Register Date

Date of registration to ChemTHEATRE

Update Date

Date last modified

Projects

Project IDs in which the chemical was measured→Click the ID to show the Project details (p.6)

Samples

Sample types used to measure the chemical→Expand to show the sample IDs.
→Click the ID to show the Sample Details (p.10)

16

６．Measured Data (Chemical concentration)＜Measured Data Top＞

Click to export (See p.13-14)

６−１．Search Parameters
See ３−１．
（p.4）

６−２．Measured Data Summary
Project ID

ID which ChemTHEATRE assigns to a project→Click the ID to show the Project Details (p.6)

Sample ID

ID which ChemTHEATRE assigns to a sample used in the project→Click the ID to show the Sample Details (p.10)

SampleSample types are shown. (Mammal, Bird, Water, Sediment, etc.）

ChemicalChemical name which is measured→Click the name to show the Chemical Details (p.16)

Experiment ID

Experiment ID which is assigned by ChemTHEATRE

Measured Value

Measured value (chemical concentration)

Unit

Unit (μg/L, ng/g, etc.)

Remarks

Remarks (additional information, etc.)

Register Date

Date of registration to ChemTHEATRE

６―３．How to export the data you need
Export samples (TSV)(See 4-4. (p.13-14))

Click this button to export the sample list, after narrowing down thesamples to ones you need（Tab-separated format） → See p.13

Export measured data

Click this button to export the measured data list, after narrowing down

(TSV)

the data to ones you need. （Tab-separated format）→ See p.14
17

７．Ecological Risk Assessment using ChemTHEATRE~Example for carrying out the risk assessment~This is an example of step by step procedure to do the risk assessment using ChemTHEATRE.

7-1. How to find and export the measured data you need in ChemTHEATRE< Narrow down the data by Chemical => Sample type >① Firstly, select “Perfluoroalkyl and Polyfluoroalkyl substances ‒ PFCAs” from pull-down menu in
Chemical Group column. Then, click. Chemicals categorized into PFCAs are shown on thescreen as below.

② Find “PFOA” and click its Samples to get the list of samples which are used to measure PFOA.
③ Select “Abiotic-Water” from the pull-down menu in Sample Type and click18

④Clickin the above page, and the list of measured data are shown as

below. The same measurement unit “µg/L” is used for water.

⑤ Clickin the above page, and you can download the list of measured data of thechemical.
⑥ Open the downloaded file in MS excel, and the list below comes up.

19

⑦ Save only Data ID (e.g. MeasuredID or SampleID) and MeasuredValue as TSV file. This file isread in AIST-MeRAM for exposure assessment and risk assessment.

20

7-2. How to import and use the data from ChemTHEATRE in AIST-MeRAM
AIST-MeRAM (AIST-Multi-purpose Ecological Risk Assessment and Management Tool) was
developed by National Institute of Advanced Industrial Science and Technology (AIST). It is a free,quasi-artificial intelligence system for ecological risk assessment and management of chemicals
substances. For details: https://en-meram.aist-riss.jp

7-2-1. Exposure assessment① Activate AIST-MeRAM and click “Detailed Evaluation,” then the page below comes up.
Click “Exposure assessment.”② Select a chemical you want to assess.
You can search the chemical you want to assess with CAS registry number® or chemical name.
After choosing PFOA as the target chemical, click “Next.”

21

③ Select “Detailed assessment method of exposure concentration” and move to the next page.

④

Select “Monitoring data” => “Upload external data files” =>select the TSV file exported from
ChemTHEATRE (See page 20), then import it.

22

⑤ Once the TSV file is successfully imported, the following screen is displayed.
After that, follow the directions and proceed with the exposure assessment.

⑥ The result of exposure assessment is successfully displayed as below. You can download and savethe result as PDF file.

⑦ Keep it open and move to “Hazard assessment.”23

7-2-2. Hazard assessment① Select “Hazard assessment” at the page below.

② Select a chemical you want to assess.
After selecting PFOA as the target chemical, click “Next.”24

③

Select an assessment methodology and proceed with the hazard assessment.
Select “Species Sensitivity Distribution” here.

25

④ Click “Assess”

26

⑤ The results of hazard assessment is displayed as below.
This is an example of the results: The result of Species Sensitivity Distribution (SSD).

⑥

Keep it open, too. With the above two results: the result of exposure assessment and the resultof hazard assessment, proceed with the risk assessment.

27

7-2-3. Risk assessment①

Click “Risk Assessment” and check the files and click “Assess.”28

②

The result of risk assessment is displayed as below.

At the top left of the display, it shows the risk concerns. You can download and save the result as
PDF file.

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8. ChemTHEATRE Site PolicynAbout ChemTHEATRE

ChemTHEATRE (Chemical in the THEATRE: Tractable and Heuristic E-Archive forTraceability and Responsible-care Engagement) is a database to deposit and visualize themonitoring data of chemicals in environment. ChemTHEATRE stores chemical
concentrations in environmental specimens with metadata of the samples (sampling dateand location, organism and its biometry, and so on) and of experimental methods(extraction method, used standards, instruments, etc.), which make it possible to search
the concentration data not only by chemicals but also by sample types, species, sampling
places, sampling year, and so on.
nTerms of Use

This site has been operated by ChemTHEATRE. The use of ChemTHEATRE is subject
to the following Terms of use. It should be noted that the present Terms of Use aresubject to change. At the time of your use of ChemTHEATRE, please check the latest
contents of the Terms of Use. Through this ChemTHEATRE you are able to link to otherwebsites operated by external organizations. When you use the external websites, please
use them in accordance with the respective conditions of use.
n

Licenses<Website>

Licensed under CC BY-SA 4.0(https://creativecommons.org/licenses/by-sa/4.0/deed.en)<Data and services>

If not specified, there is no restriction on the use of data and services offered in
ChemTHEATRE. Duplication, public transmission, adaptation of translation anddeformation of the information of ChemTHEATRE are possible. Commercial use is also
possible.
<The rights attached to registration of data>

The submitters, corresponding authors can revise, renew their own data and information
which they have already registered, if there are good reasons to do so such as some
progress of their own researches, error correction, etc.
When correcting and updating, please contact register@chem-theatre.com.

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< Source Citation >1) The user must cite the source when using the data and information offered in
ChemTHEATRE. The user shall reach the Project Details page of the data to check thesource.
2) If you edit the information of ChemTHEATRE for use, you must state clearly that thecontent has been edited by you, in addition to the abovementioned source citation.
Making public or using edited information in a format that may be misconstrued ashaving been created by ChemTHEATRE is prohibited.
3) Commercial use is also possible unless corresponding authors prohibit to do so.
n

No infringement of third-party rights

1) In some cases, a third party (refers to a party other than ChemTHEATRE.
Hereinafter referred to as “Third Party”) may hold copyrights or other rights. It is the
responsibility of the user to obtain consent for use from the Third Party unless there is
explicit indication that the rights have already been cleared.
2) If Third Party holds rights to a part of the information of ChemTHEATRE, it may bedirectly or indirectly stated or indicated through source citations. In some cases,
however, the part of the information to which the Third Party holds the rights may not
be clear or may not be explicitly stated. It is the responsibility of the user to confirm
the rights pertaining to use of the information you want.
nDisclaimer

1) While every effort has been made to ensure the accuracy of the information of
ChemTHEATRE, we do not take any responsibility to any actions caused by usage ofthe information of ChemTHEATRE.
2) We do not control third-party websites and are not responsible for the contents of any
linked-to, third party websites or any hyperlink in a linked-to website. We are notresponsible for the privacy practices or the content of third-party websites.
3) The information of ChemTHEATRE may be modified, moved or deleted without priornotice.
4) The user shall be responsible for complaints from other users or Third parties andcomplaints toward Third party which are caused by the usersʼ infringement of this Site
31

Policy. The user shall deal with the complaints with responsibility and at the userʼs
expense. ChemTHEATRE do not take any responsibility for such complaints.

n

About Links

You can set up links to the website of ChemTHEATRE for free. However, the links fromwebsites listed below will be refused.
-including contents against the law-including contents which are offensive to public order and morals-conveying misleading impression that the website of ChemTHEATRE is a part of theoriginal site.
We would appreciate it if you would let us know in advance.

nAbout CAS registration number®

The CAS Registry Numbers® are the intellectual property of the American Chemical
Society, Chemical Abstracts Service (CAS) division; and are used by ChemTHEATRE
with the express permission of CAS. Redistribution of CAS Registry Numbers® ispermitted only with the prior written permission of CAS.

n

Prohibited UsesAt the use of any service or information on this website, the following act is prohibited.
1) Act to infringe the intellectual property of ChemTHEATRE or the Third Party, privacy
and other rights act to damage honor, trust, property, and act to promote these actions.
2) Criminal act or act with the fear to be tied to a crime.
3) Act to violate public order and morals
4) Act to violate or to be likely to violate laws and ordinances.
5) Act to interfere the service or operation of this website, such as illegal access, massive
information transfer.
326) Act to save and distribute files or links to websites which damage the PC/server of any
Third Party, such as files containing or infected by computer viruses.
When ChemTHEATRE judges the above-mentioned act was performed, without any priornotice, ChemTHEATRE may suspend the account of the corresponding user and any use ofthis website and the services of this website by the corresponding user, and delete any data
saved by the corresponding user as part of using the services on this website.
ChemTHEATRE bears no liability to any damage or loss to the corresponding user incurredby the suspension and deletion above. When ChemTHEATRE or any Third Party suffers
damage or loss incurred by the act of the corresponding user, the corresponding user mustcompensate all the damage and loss of ChemTHEATRE and the Third Party. This clausedoes not mean that ChemTHEATRE bears the duty to monitor the information any user has
registered.

33