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Introduction
The different sections available in ChirBase
Under Browse Mode
Viewing a table of sample structures
Viewing separations in a table
Viewing the full separation data
Structure Searching
Building a structure query to retrieve exactly a given class of compounds
Searching Examples
How to
Display all the database entries
Merge, intersect, or subtract lists in the database
Find all the separations that are part of the current displayed reference
SAMPLE
Sample Chemical Structure
Finds chiral separations that use the specified molecule as a solute.
You can use:
- Exact Match: Searches for molecules that match exactly the specified molecule.
- Substructure: Searches for molecules that contain one ore more structural fragments.
- Similarity: Searches for molecules that are structurally similar to the specified molecule. One needs to indicate the degree of similarity.
Sample Name
Searches for solute molecules that either match the specified name exactly, or contain the specified name within their name.
Sample chirality
Chirality on the solute may be center, axial, planar....
Sample molweight
Molecular weight of the injected solute
Sample Formula
Searches for sample that either correspond to the specified formula exactly, or contain the specified formula within their formula.
CHIRAL COLUMN (CSP)
CSP Chemical Structure
Finds separations where the specified molecule is used as a chiral selector
You can use:
- Exact Match: Searches for molecules that match exactly the specified molecule.
- Substructure: Searches for molecules that contain one ore more structural fragments.
- Similarity: Searches for molecules that are structurally similar to the specified molecule. You will need to indicate the degree of similarity.
CSP Name
Searches for CSP molecules that either match the specified name exactly, or contain the specified name within their chemical name.
CSP Trade name
Finds chiral separations that use a column that either match the specified trade name or contain the specified name within their trade name
CSP Supplier
The name of the manufacturer of the column
CSP Particle size
A value of all particle diameters for a given packing. Smallest particles usually provide a better column efficiency.
Type of column
Size, number of columns.
Can contain "Capillary" or "Micro" as keywords
CONDITIONS
Eluent Chemical Structure
Finds chiral separations that use in the mobile phase the specified molecule as either a solvent or a modifier
Detection
type of detector and wavelength value in nm
Method
Find specific applications: Low pressure chromatography, SFC, Ligand exchange, SMB...
Scale of separation
The scale of the separation, may be analytical or preparative
Mobile phase
Find the articles that have the specified keywords (usually one eluent component) in the description of mobile phase. Caution: some mobile phase components (as CH2CLCH2CL) may have different representations (please check the vocabulary list)
Solv/modifier (M)
Concentration in mol/l (as it is specified in the mobile phase) of a given eluent component. Don't forget to select a mobile phase component in the molecule box on the query form.
Solv/modifier (%)
Percentage of a given eluent component (as it is specified in the mobile phase). Don't forget to select a mobile phase component in the molecule box on the query form.
Temperature
Temperature of the column in °C (Celsius)
pH of mobile phase
when the mobile phase contains an aqueous buffer, variation of pH may help to control elution time.
Flow_rate
eluent flow rate expressed in ml/min
EXPERIMENTAL RESULTS
k1
Capacity factor of the first eluted enantiomer (less retained in the column). Capacity factor is the ratio of the reduced retention volume to the dead volume of the column: k1=V1-V0/V0, V1=retention volume, V0=Dead volume of the column.
k2
Capacity factor of the second eluted enantiomer (more retained in the column). Capacity factor is the ratio of the reduced retention volume to the dead volume of the column: k2=V2-V0/V0, V2=retention volume, V0=Dead volume of the column.
k2/k1
Enantioselectivity of the separation (alpha). It is the ratio of the capacity factors of the two eluted enantiomers (k2/k1). For a given mixture of enantiomers: if alpha=1, then separation is unsuccessful.
Resolution
Resolution of the separation. For a good separation, Resolution must be >= 1.00. When Res < 1, the enantiomers are overlapped.
Rt1
Enantioselectivity of the separation (alpha). It is the ratio of the capacity factors of the two eluted enantiomers (k2/k1). For a given mixture of enantiomers: if alpha=1, then separation is unsuccessful.
Rt2
Retention time of the more retained enantiomer, expressed in minute. As measured by the authors or found in a chromatogram.
First_eluted
Absolute configuration and/or optical sign of the first eluted enantiomer
Second_eluted
Absolute configuration and/or optical sign of the second eluted enantiome
REFERENCE
Authors
Find the separations that are in the papers published by a given author.
Journal
Find the separations that are published in a given journal or patent.
Page
Find the articles that have the specified page(s).
Volume
Find the articles that have the specified volume.
Year
Find the separations that are published a given year or period.
Keywords
Specify the keywords that may appear in the title or as a topic of the paper.
Reference number
ChirBase Internal identification value specifically assigned to each reference. This unique ID number allows to find all the separations reported in a given reference.