TLC is a simple, quick, and inexpensive procedure that gives the chemist a quick answer as to how many components are in a mixture. TLC is also used to support the identity of a compound in a mixture when the Rf of a compound is compared with the Rf of a known compound (preferably both run on the same TLC plate).
A TLC plate is a sheet of glass, metal, or plastic which is coated with a thin layer of a solid adsorbent (usually silica or alumina). A small amount of the mixture to be analyzed is spotted near the bottom of this plate. The TLC plate is then placed in a shallow pool of a solvent in a developing chamber so that only the very bottom of the plate is in the liquid. This liquid, or the eluent, is the mobile phase, and it slowly rises up the TLC plate by capillary action.
As the solvent moves past the spot that was applied, an equilibrium is established for each component of the mixture between the molecules of that component which are adsorbed on the solid and the molecules which are in solution. In principle, the components will differ in solubility and in the strength of their adsorption to the adsorbent and some components will be carried farther up the plate than others. When the solvent has reached the top of the plate, the plate is removed from the developing chamber, dried, and the separated components of the mixture are visualized. If the compounds are colored, visualization is straightforward. Usually the compounds are not colored, so a UV lamp is used to visualize the plates. (The plate itself contains a fluorescent dye which glows everywhere except where an organic compound is on the plate.)
ChemDraw Prime is the version with fundamental features. Beyond a full set of chemical structure fundamentals like rings, bonds, chains, atoms and functional groups, ChemDraw Prime includes property calculators, chemical and laboratory equipment templates and TLC and Gel Electrophoresis Plate drawing tools. ChemDraw Prime features. Beyond a full set of chemical structure essentials (e.g. Rings, bonds, chains, atoms and functional groups), ChemDraw Prime includes new hotkeys for drawing even faster than ever before, property calculators, chemical and lab equipment templates and handy TLC Plate drawing tools. Personal Productivity Tools - Thin Layer Chromatography tool in ChemBioDraw. Desktop and Enterprise Software, Solutions and Services for Chemists and Biologists. ChemDraw 15 - The Aesthetics of Drawing with Compound Interest’s Andy Brunning by Andy Brunning, Phil McHale. “ChemDoodle is an amazingly affordable alternative to ChemDraw. For a fraction of the price, I can get the functionality I need to communicate with my colleagues.”. Draw thin layer chromatography plates using the TLC Canvas widget. A powerful interface to quickly complete your work. Intuitive Controls.
How To Run a TLC Plate
Step 1: Prepare the developing containerThe developing container for TLC can be a specially designed chamber, a jar with a lid, or a beaker with a watch glass on the top (the latter is used in the undergrad labs at CU). Pour solvent into the chamber to a depth of just less than 0.5 cm. To aid in the saturation of the TLC chamber with solvent vapors, you can line part of the inside of the beaker with filter paper. Cover the beaker with a watch glass, swirl it gently, and allow it to stand while you prepare your TLC plate. |
Step 2: Prepare the TLC plateTLC plates used in the organic chem teaching labs are purchased as 5 cm x 20 cm sheets. Each large sheet is cut horizontally into plates which are 5 cm tall by various widths; the more samples you plan to run on a plate, the wider it needs to be. Shown in the photo to the left is a box of TLC plates, a large un-cut TLC sheet, and a small TLC plate which has been cut to a convenient size. Handle the plates carefully so that you do not disturb the coating of adsorbent or get them dirty. |
Measure 0.5 cm from the bottom of the plate. Using a pencil, draw a line across the plate at the 0.5 cm mark. This is the origin: the line on which you will spot the plate. Take care not to press so hard with the pencil that you disturb the adsorbent. Under the line, mark lightly the name of the samples you will spot on the plate, or mark numbers for time points. Leave enough space between the samples so that they do not run together; about 4 samples on a 5 cm wide plate is advised. |
Step 3: Spot the TLC plateIf the sample is not already in solution, dissolve about 1 mg in 1 mL of a volatile solvent such as hexanes, ethyl acetate, or methylene chloride. As a rule of thumb, a concentration of 1% usually works well for TLC analysis. If the sample is too concentrated, it will run as a smear or streak (see troubleshooting section below); if it is not concentrated enough, you will see nothing on the plate. Sometimes you will need to use trial and error to get well-sized, easy to read spots. |
Obtain a a microcapillary. In the organic teaching labs, we use 10µL microcaps - they are easier to handle than the smaller ones used in research labs. Dip the microcap into the solution and then gently touch the end of it onto the proper location on the TLC plate. Don't allow the spot to become too large - if necessary, you can touch it to the plate, lift it off and blow on the spot. If you repeat these steps, the wet area on the plate will stay small. |
This example plate has been spotted with three different quantities of the same solution and is ready to develop. If you are unsure of how much sample to spot, you can always spot multiple quantities and see which looks best. |
Step 4: Develop the platePlace the prepared TLC plate in the developing beaker, cover the beaker with the watch glass, and leave it undisturbed on your bench top. The solvent will rise up the TLC plate by capillary action. Make sure the solvent does not cover the spot. |
Allow the plate to develop until the solvent is about half a centimeter below the top of the plate. Remove the plate from the beaker and immediately mark the solvent front with a pencil. Allow the plate to dry. |
Step 5: Visualize the spotsIf there are any colored spots, circle them lightly with a pencil. Most samples are not colored and need to be visualized with a UV lamp. Hold a UV lamp over the plate and circle any spots you see. Beware! UV light is damaging both to your eyes and to your skin! Make sure you are wearing your goggles and do not look directly into the lamp. Protect your skin by wearing gloves. |
If the TLC plate runs samples which are too concentrated, the spots will be streaked and/or run together. If this happens, you will have to start over with a more dilute sample to spot and run on a TLC plate. |
Here's what overloaded plates look like compared to well-spotted plates. The plate on the left has a large yellow smear; this smear contains the same two compounds which are nicely resolved on the plate next to it. |
TLC Solvents Choice
When you need to determine the best solvent or mixture of solvents (a 'solvent system') to develop a TLC plate or chromatography column loaded with an unknown mixture, vary the polarity of the solvent in several trial runs: a process of trial and error. Carefully observe and record the results of the chromatography in each solvent system. You will find that as you increase the polarity of the solvent system, all the components of the mixture move faster (and vice versa with lowering the polarity). The ideal solvent system is simply the system that gives the best separation.
TLC elution patterns usually carry over to column chromatography elution patterns. Since TLC is a much faster procedure than column chromatography, TLC is often used to determine the best solvent system for column chromatography. For instance, in determining the solvent system for a flash chromatography procedure, the ideal system is the one that moves the desired component of the mixture to a TLC Rf of 0.25-0.35 and will separate this component from its nearest neighbor by difference in TLC Rf values of at least 0.20. Therefore a mixture is analyzed by TLC to determine the ideal solvent(s) for a flash chromatography procedure.
Beginners often do not know where to start: What solvents should they pull off the shelf to use to elute a TLC plate? Because of toxicity, cost, and flammability concerns, the common solvents are hexanes (or petroleum ethers/ligroin) and ethyl acetate (an ester). Diethyl ether can be used, but it is very flammable and volatile. Alcohols (methanol, ethanol) can be used. Acetic acid (a carboxylic acid) can be used, usually as a small percentage component of the system, since it is corrosive, non-volatile, very polar, and has irritating vapors. Acetone (a ketone) can be used. Methylene chloride or and chloroform (halogenated hydrocarbons) are good solvents, but are toxic and should be avoided whenever possible. If two solvents are equal in performance and toxicity, the more volatile solvent is preferred in chromatography because it will be easier to remove from the desired compound after isolation from a column chromatography procedure.
Ask the lab instructor what solvents are available and advisable. Then, mix a non-polar solvent (hexanes, a mixture of 6-carbon alkanes) with a polar solvent (ethyl acetate or acetone) in varying percent combinations to make solvent systems of greater and lesser polarity. The charts below should help you in your solvent selection. You can also download this pdf chart of elution order.
Interactions Between the Compound and the Adsorbent
The strength with which an organic compound binds to an adsorbent depends on the strength of the following types of interactions: ion-dipole, dipole-dipole, hydrogen bonding, dipole induced dipole, and van der Waals forces. With silica gel, the dominant interactive forces between the adsorbent and the materials to be separated are of the dipole-dipole type. Highly polar molecules interact fairly strongly with the polar SiOH groups at the surface of these adsorbents, and will tend to stick or adsorb onto the fine particles of the adsorbent while weakly polar molecules are held less tightly. Weakly polar molecules generally tend to move through the adsorbent more rapidly than the polar species. Roughly, the compounds follow the elution order given above.
The Rf value
Chemdraw Tlc
The retention factor, or Rf, is defined as the distance traveled by the compound divided by the distance traveled by the solvent.
For example, if a compound travels 2.1 cm and the solvent front travels 2.8 cm, the Rf is 0.75:
The Rf for a compound is a constant from one experiment to the next only if the chromatography conditions below are also constant:
- solvent system
- adsorbent
- thickness of the adsorbent
- amount of material spotted
- temperature
Since these factors are difficult to keep constant from experiment to experiment, relative Rf values are generally considered. 'Relative Rf' means that the values are reported relative to a standard, or it means that you compare the Rf values of compounds run on the same plate at the same time.
The larger an Rf of a compound, the larger the distance it travels on the TLC plate. When comparing two different compounds run under identical chromatography conditions, the compound with the larger Rf is less polar because it interacts less strongly with the polar adsorbent on the TLC plate. Conversely, if you know the structures of the compounds in a mixture, you can predict that a compound of low polarity will have a larger Rf value than a polar compound run on the same plate.
The Rf can provide corroborative evidence as to the identity of a compound. If the identity of a compound is suspected but not yet proven, an authentic sample of the compound, or standard, is spotted and run on a TLC plate side by side (or on top of each other) with the compound in question. If two substances have the same Rf value, they are likely (but not necessarily) the same compound. If they have different Rf values, they are definitely different compounds. Note that this identity check must be performed on a single plate, because it is difficult to duplicate all the factors which influence Rf exactly from experiment to experiment.
Troubleshooting TLC
All of the above (including the procedure page) might sound like TLC is quite an easy procedure. But what about the first time you run a TLC, and see spots everywhere and blurred, streaked spots? As with any technique, with practice you get better. Examples of common problems encountered in TLC:
- The compound runs as a streak rather than a spot: The sample was overloaded. Run the TLC again after diluting your sample. Or, your sample might just contain many components, creating many spots which run together and appear as a streak. Perhaps, the experiment did not go as well as expected.
- The sample runs as a smear or a upward crescent: Compounds which possess strongly acidic or basic groups (amines or carboxylic acids) sometimes show up on a TLC plate with this behavior. Add a few drops of ammonium hydroxide (amines) or acetic acid (carboxylic acids) to the eluting solvent to obtain clearer plates.
- The sample runs as a downward crescent: Likely, the adsorbent was disturbed during the spotting, causing the crescent shape.
- The plate solvent front runs crookedly: Either the adsorbent has flaked off the sides of the plate or the sides of the plate are touching the sides of the container (or the paper used to saturate the container) as the plate develops. Crooked plates make it harder to measure Rf values accurately.
- Many random spots are seen on the plate: Make sure that you do not accidentally drop any organic compound on the plate. If get a TLC plate and leave it laying on your workbench as you do the experiment, you might drop or splash an organic compound on the plate.
- You see a blur of blue spots on the plate as it develops: Perhaps you used an ink pen instead of a pencil to mark the origin?
- No spots are seen on the plate: You might not have spotted enough compound, perhaps because the solution of the compound is too dilute. Try concentrating the solution, or spot it several times in one place, allowing the solvent to dry between applications. Some compounds do not show up under UV light; try another method of visualizing the plate (such as staining or exposing to iodine vapor). Or, perhaps you do not have any compound because your experiment did not go as well as planned. If the solvent level in the developing jar is deeper than the origin (spotting line) of the TLC plate, the solvent will dissolve the compounds into the solvent reservoir instead of allowing them to move up the plate by capillary action. Thus, you will not see spots after the plate is developed. These photos show how the yellow compound is running into the solvent when lifted from the developing jar.
TLC Technique Quiz
See how well you understand TLC by taking the online TLC Technique Quiz!
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The ChemBioDraw Ultra 14.0 suite provides scientists with an up to date collection of scientifically intelligent applications for chemical structure drawing and analysis combined with biological pathway drawing.
Highlights in ChemBioDraw Ultra 14.0
- Search SciFinder direct from ChemBioDraw Ultra with no time-consuming cutting and pasting.
- Copy and paste CDXML and molfile text to and from the clipboard for data exchange with other applications that can consume these file formats.
- Biopolymer toolbar with disulfide and lactam bridges, beta and D-amino acids, DNA, RNA, protecting groups and linkers
- Paste peptide, DNA and RNA sequences and have them interpreted chemically with sequence wrapping and shaping
- New Gel Electrophoresis Plate Tool provides arbitrary rotation for lane labels, drag and position band labels, paste data from Excel or other sources, and copy and paste between lanes
- Calculators for pKa, LogD and LogS enable scientists to explore important bioavailability properties such acid dissociation, distribution and aqueous solubility for putative compounds
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Figure 1: Image showing the electrophoresis plate, biopolymer sequence and 3D structure.
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Applications Included
- ChemBioDraw Ultra
This ultimate chemistry and biology drawing application delivers all of the industry leading drawing, publishing and analytical features in ChemDraw combined with the biology features in BioDraw, providing a complete solution for chemical structure drawing and analysis combined with biological pathway drawing.ChemBioDraw Ultra chemical structure analysis tools include 13C and 1H NMR prediction with peak splitting and highlighting and choice of solvent, Struct=Name, ChemDraw/Excel, stoichiometric analysis, property predictions including pKa, LogD and LogS live-linked to the structure, a live-linked Database Gateway, fragmentation tools, TLC and Gel Electrophoresis plate drawing tools, and 3D structures live-linked to the 2D structure. ChemBioDraw also offers customization options for Nicknames, Templates, and HotKeys, and adds a new Save to Dropbox feature. A new biopolymer toolbar enables creation of peptide, DNA and RNA sequences, including beta and D-amino acids, disulfide and lactam bridges and linkers and protecting groups. Biological pathway drawing elements include membranes, DNA, enzymes, receptors, and reaction arrows. tRNA, Ribosomes, Helix Proteins, Golgi Bodies, G-Proteins, Immunoglobins, Mitochondrion, new Freehand Pen Tool, Annotation, and a Plasmid mapping tool are also included. - Chem3D Pro
This premier application for desktop molecular modeling and protein visualization provides support for state-of-the-art open GL graphics and stereo hardware. Build small molecules using the ChemDraw interface and see the 3D structure appear simultaneously, perform basic Molecular modeling computations such as Dihedral driver MM2 experiments, Molecular Mechanics and Dynamics. Perform ab initio calculations with an interface to GAMESS. - ChemBioFinder Ultra
ChemBioFinder Ultra is the ultimate database management system for chemical structure and information databases. Browse, create, search, and update local databases with structural, numeric, and text data via user-customizable forms, including structural, sub-structural, and similarity queries, as well as linking to related data in sub-forms. Calculate values for physical properties, view and edit structures in a variety of modes, automatically create databases and forms for imported data, export and print. Easily manage saved queries, access favorite databases, and view database structure via the dockable Explorer Window. Features include the ability to perform RGroup Analysis, read graphic files from the database, Python programming and improved tautomeric searching. - ChemBioFinder for Office
ChemBioFinder for Office locates and searches structure files contained in documents on your computer or network drives. Multiple structure file types are recognized, including cdx, mol, sdf, rxn and skc, and search results can be displayed or exported as SDfiles. - ChemBioViz Pro
ChemBioViz Pro is a rich toolkit for visualizing numeric data in ChemBioFinder. Calculate and display structure activity relationships, clustering relationships, and statistical data, including histograms, scatter, logarithmic plots, and dendrograms. Descriptive statistics include minimum, maximum, mean, median, standard deviation and more. Create Compound Profiles and visually compare and rank structures based on values of selected properties and the cost profile associated with each property. Create plots within ChemBioFinder sub-forms.ChemBioViz is a visualization application which works with ChemBioFinder Ultra and allows users to correlate biological activity with chemical structures. ChemBioViz transforms ChemBioFinder data into easy to understand graphics, allowing scientists to easily discern structure-activity relationships. ChemBioViz generates an interactive window containing a variety of plot types and allows researchers to analyze data using a variety of statistical analytical tools. Users can then filter their data on any field in the database in order to examine subsets of data in order to locate trends and correlations. - ChemDraw/Excel Pro
ChemDraw/Excel allows scientists to create chemically intelligent spreadsheets within the familiar Microsoft Excel environment. Build and manipulate chemical structures within Excel, compute chemical properties and use structure and substructure searches to locate and group compounds. - BioDraw Ultra
BioDraw Ultra makes drawing and annotating biological pathways quick and straightforward, adding an unmatched level of uniformity and detail. Drawing elements include membranes, DNA, enzymes, receptors, and reaction arrows, tRNA, Ribosomes, Helix Proteins, Golgi Bodies, G-Proteins, Immunoglobins, Mitochondrion and a Plasmid Map Tool. BioDraw Ultra now includes a biopolymer toolbar for drawing and editing peptide and nucleotide sequences using single and three letter codes, including beta and D-amino acids. The sequences can be expanded and contracted and sulfide and lactam bridges can be easily added. - ChemNMR Pro
ChemNMR can be used to accurately estimate 13C and 1H (proton) NMR chemical shifts. The molecule and the spectrum appear in a new window. The chemical shifts are displayed on the molecule and the spectrum is linked to the structure so that clicking on a peak in the spectrum highlights the related fragment on the molecule. With ChemNMR 13.0, the solvent can be specified as DMSO or CDCl3. - Struct=Name Pro
Struct=Name contains the leading comprehensive methods for converting chemical structures into IUPAC chemical names and names to structures. It can be used for many types of compounds, including charged compounds and salts, bridged and fused ring systems, highly symmetric structures, isotopically labeled compounds and many other types of inorganic and organometallics. - MestReNova Std/Lite
MestRe Nova (MNova) Std is a 1D only application for data processing, visualization and analysis of NMR data. The program provides a variety of conversion facilities for most NMR spectrometer formats and includes the conventional processing, displaying and plotting capabilities of an NMR program, and more advanced processing techniques. MNova Std/Lite is a 1D only version of MNova which offers the user basic processing and analysis capabilities. The full version of MNova is available through the SciStore online store or directly through Mestrelab Research.
Applications Features
(W) – Feature available on Windows only
ChemBioDraw Ultra
- ActiveX Edit in ChemDraw
Edit your document using your installed version of ChemDraw, rather than your ActiveX, providing greater screen real estate for editing, and also access to the full range of ChemDraw capabilities. - Arrows Tool
Control every aspect of arrows drawn, including arc, length, headstyle, dipole, no-go and more. - BioDraw
Draw biological pathways. - Biopolymer Toolbar
Draw peptides and nucleotide (DNA, RNA) sequences using 1- and 3- letter codes. Includes natural L-, unnatural D- and beta amino acids. Simply switch between 1- and 3- letter codes and expand and contract labels. Insert linking and protecting groups with simple type-ahead functionality. Use the bond tool to create disulfide and lactam bridges, and cyclic peptides. - Chain Tools
Draw both acyclic and snaking chains. - Chem3D HotLink
(W) See what structures look like in 3D in a floating window and open Chem3D with a single click from within ChemDraw. - Chemical File Format
Reading & writing of chemical file formats including skc, mol v3000, sdf, spectra & reactions. - Chemical Warnings
Mouse-over red box to read error description. - ChemNMR
Users can now select whether they want the spectrum predicted in CDCl3 or DMSO. - ChemNMR User Proton Shift Database
Users can add their own shift correction data for proton prediction which can supplement the existing data used by the ChemNMR algorithm. - ChemProp
(W) Advanced property parameter including BP, MP and more. - CLogP
CLogP/CMR provides the latest methodology for calculationg n-octanol/water partition coefficients and molar refractivity. - Custom Templates & Nicknames
Ability to create & edit templates & nicknames - Database HotLink
Search PerkinElmer Informatics databases for chemical structures in real time as you draw. - Expand Generic Structure
Generate multiple structures from an “abbreviated” generic structure. - Floating Character Map
Add special characters from any font instantly to any ChemDraw document. - Floating Periodic Table
Element information available at all times with floating periodic table on the desktop. - Freehand Drawing Tool
Use the mouse or other pointing device to draw freehand shapes using this intuitive drawing tool. - Gel Electrophoresis Plate Tool
Draw gel electrophoresis plates. This new tool is similar to TLC Plate Tool, and provides arbitrary rotation for lane labels, drag and position band labels, paste data from Excel or other sources, and copy and paste between lanes. - High Colour Documents and Templates
Documents can contain over 16 million colors. Create high color pathway and element templates. - I/Draw Mode
New compatibility mode allows ChemDraw to look and feel like your legacy drawing package. - ISIS-style Data SGroups
Data can be attached to objects. - LabArt
Publication-quality EPS glassware art for use within your ChemDraw documents. - LogD
Calculate the logarithmic value of the distribution coefficient D, which is the ratio of the sum of the concentrations of all forms of the compound (ionized plus un-ionized) in each of the two phases. - LogS
Calculate the logarithmic value of the aqueous solubility S of a compound. This value significantly affects its absorption and distribution characteristics. - Mass & Other Fragmentation Tools
Three fragmentation tools: Mass, Dissociation, & Retrosynthesis. - MS Office Integration
(W) ChemDraw offers full integration via OLE, so you can embed your drawings in any Office document. - Multi-Page Docs
Create multiple page documents and posters within a single ChemDraw file. - Name=Struct
Produce structures from systematic and common chemical structure names, and generate systematic IUPAC names from structures. Works for many types of compounds, including charged compounds and salts, isotopically labeled compounds, highly symmetric structures and many other types of organic, inorganic and organometallics. - Online Menu
(W) Draw a structure or model and immediately get online vendor information ChemACX.Com with the click of a button. - Paste Sequences
Paste sequences in FASTA format. Copy a text string describing a biopolymer as a series of single or multi letter residues, with valid separators (space, tab, dash), and paste it as a sequence with full chemistry. - pKa
Calculate the logarithmic value of the acid dissociation constant Ka, which is a quantitative measure of the strength of an acid in solution. - Plasmid Map Tool
Create a plasmid map entering the number of base pairs in the plasmid map and specifying ranges for regions and locations and labels for markers. - Polymer Draw
Represent and manipulate polymers in ChemDraw. - Properties HotLink
Chemical names, formulas, molecular weights, and other physical properties added to the document are “live”, and will now update automatically as modifications are made to structural diagrams. - Relative Stereochemistry
Allows specification of relationships between groups of stereocenters smaller than an entire molecule. - Rotation about Arbitrary Centres
Change the center of rotation using adjustment handle on the Lasso and Marquee tools. Rotation will now be centered on the selected origin. - Save to Dropbox
Use Cloud storage via Dropbox to save, share and import ChemBio3D models in a secure but sharable Cloud location. - Sequence Tool
Draw peptide or nucleotide sequences using using 1 and 3 letter codes. The atoms are labeled with amino acid or nucleotide nicknames. The sequences can be expanded and contracted. - Stereochemistry
Identifies stereocenters using Cahn-Ingold Prelog rules. - Stoichiometry Grid
Automatically track and update stoichiometry data for any user-defined chemical reaction. - Structure CleanUp
Improves poor drawings. - Structure Perspective Tool
Adjust the perspective of ChemDraw molecules with simple horizontal/vertical mouse movements. - TLC Plate Tool
Draw thin layer chromatography plates. Drag plate to size and drag spots to required positions. Shape and color spots and set or display Rf values. - tPSA
Topological Polar Surface Area (tPSA) provides a fast approximation of the molecular polar surface area, a useful parameter for prediction of drug transport properties, which has been show to correlate with human intestinal absorption and blood-brain barrier penetration.
Chem3D Pro
- ChemProp
(W) Advanced property parameter including BP, MP and more. - Dihedral Driver
(W) New conformational analysis tool allows the generation of MM2 energy plots. - Enhanced Graphics
(W) Chem3D uses openGL to provide high quality graphics display. - Group Labels
(W) Display group labels in the Chem3D model view. - Hydrogen Bonds
(W) Automatically display hydrogen bonds in the 3D view! - Kekule/Delocalised Display Mode
(W) Toggle between dashed line and alternating single-double bond representation of delocalised and aromatic bonds. - MM2
(W) Built in support for MM2 to generate realistic 3D structures. - Model Explorer
(W) Hierarchical tree-control for exploring the structure of large models. Import a PDB file and examine chains, groups, and ligands. This new feature gives fine-grained control. - Molecular Modelling & Dynamics
(W) Workstation quality molecular modelling. - Multiprocessor Support
Enable multiprocessor support in MMFF94 calculations. - PowerPoint
(W) Embed Chem3D models in PowerPoint files. Rotate and zoom Chem3D models while giving a presentation. - Spectrum Viewer
(W) Display spectral calculation results from Jaguar, Gaussian, and GAMESS as a graphical display in a separate window.
ChemBioFinder Ultra
- 3D Query/Finder
(W) Query ChemFinder database by 3D parameter. - ActiveX Control Boxes
(W) Include third party ActiveX controls on your form. - Automatic Form Generation
(W) Automatically build or extend databases by importing structures from collections of structure files, databases, SDFiles, or other sources. - ChemBioFinder/Office
(W) Search on your computer or network for chemical structures in Word, Excel, Powerpoint, ChemDraw, ISIS files and more, and browse, search, refine, or export your hit list to any destination. - ChemBioViz
(W) The bio visualization add-on to ChemBioFinder allows you to create graphical representations of ChemBioFinder databases in order to identify trends and correlations within subsets of your data. - Chemical Searching
(W) Search for (sub)structure, similarity, numeric values, text, chemical formula (including element ranges, element exclusions), date. Support for tautomers and alt groups. - Clustering Analysis
Discover similarities within sets of compounds and properties. - Compound Profiles
(W) Visually compare and rank structures based on values of selected properties and the cost profile associated with each property. - Hit List and Query Management
(W) Use a navigation tree to track history of searches between sessions, allow queries to be rerun or reconstituted; merge lists by drag-and-drop in tree. Queries color-coded to relate to ChemBioViz plots. - List Merge
(W) Merge hitlists with any logic: intersect, union, subtract, reverse subtract. - Multiple Data Views
(W) View records one at a time, in a table view or a multiform view. - Plotting
(W) Plot one or two variables with a variety of plotting options. Hover over a point to view the corresponding chemical structure. Filter displayed points by any numeric variable using a slider control. - Plotting: Statistical Analysis and Customisation
(W) Perform statistical analyses and display the results on the plot, modify the shape and colour of plot points, add comment boxes, change axis label text and background colour. - Plotting: Subform Plots
(W) Include miniature plots inside subform boxes for quick visualisation of subform data on a per-compound basis. - Property Generation
(W) Generate many types of physical property; populate database fields automatically or generate on-the-fly per record. - Python Scripting
Python scripts can be written to automate the application and can be attached to buttons on the form or to database trigger events. User the enhanced Script Editor to develop and debug — now featuring interactive line-by-line execution — and display output in a new dockable text window. - Scripting
(W) Python scripts can be written to automate the application and can be attached to buttons on the form or to database trigger events. User the enhanced Script Editor to develop and debug — now featuring interactive line-by-line execution — and display output in a new dockable text window. CAL is a simple programming language, accessible to non-programmers allows automation, self-running demos, custom operations; includes debugging features. - Standardized Handling of Implict Hydrogens
Conforms to industry standards. - Subforms
(W) Link relational data to your main table via subforms. - Tabbed Forms
(W) Partition a form into sections using tabbed form pages.
BioDraw Ultra
- Arrows Tool
Control every aspect of arrows drawn, including arc, length, headstyle, dipole, no-go and more. - Chain Tools
Draw both acyclic and snaking chains. - Chemical Warnings
Mouse-over red box to read error description. - Expanded Generic Structure
Generate multiple structures from an “abbreviated” generic structure. - Floating Character Map
Add special characters from any font instantly to any ChemDraw document. - Floating Periodic Table
Element information available at all times with floating periodic table on the desktop. - Freehand Drawing Tool
Use the mouse or other pointing device to draw freehand shapes using this intuitive drawing tool. - High-Colour Templates
A set of high color pathway and element templates. - Mass & Other Fragmentation Tools
Three fragmentation tools: Mass, Dissociation, & Retrosynthesis. - MS Office Integration
(W) ChemDraw offers full integration via OLE, so you can embed your drawings in any Office document. - Plasmid Map Tool
Create a plasmid map entering the number of base pairs in the plasmid map and specifying ranges for regions and locations and labels for markers. - Polymer Draw
Represent and manipulate polymers in ChemDraw. - Properties HotLink
Chemical names, formulas, molecular weights, and other physical properties added to the document are “live”, and will now update automatically as modifications are made to structural diagrams. - Relative Stereochemistry
Allows specification of relationships between groups of stereocenters smaller than an entire molecule. - Sequence Tool
Draw peptide or nucleotide sequences using using 1 and 3 letter codes. The atoms are labeled with amino acid or nucleotide nicknames. The sequences can be expanded and contracted. - Stereochemistry
Identifies stereocenters using Cahn-Ingold Prelog rules. - Structure CleanUp
Improves poor drawings. - Structure Perspective Tool
Adjust the perspective of ChemDraw molecules with simple horizontal/vertical mouse movements. - TLC Plate Tool
Draw thin layer chromatography plates. Drag plate to size and drag spots to required positions. Shape and color spots and set or display Rf values.
ChemDraw/Excel Pro
- ChemDraw/Excel
(W) Use Excel to organise and analyse your chemical data. - Name=Struct/Excel
(W) Generate a ChemDraw structure in MS Excel by typing in systematic chemical names for most substances.
ChemNMR Pro
- ChemNMR
Predict Proton NMR spectra with splitting patterns. Also predict Carbon-13 NMR spectra. Spectra and peaks are linked to the structure for clear interpretation. Add your own shift correction data for proton prediction which can supplement the existing data used by the ChemNMR algorithm. - ChemNMR User Proton Shift Database
Users can add their own shift correction data for proton prediction which can supplement the existing data used by the ChemNMR algorithm.
Struct=Name Pro
- Name=Struct
Produce structures from systematic and common chemical structure names. It can be used for many types of compounds, including charged compounds and salts, highly symmetric structures and many other types of organic, inorganic and organometallics. - Struct=Name
Produce names for many more types of compounds, including charged compounds and salts, highly symmetric structures, many types of inorganic and organometallic compounds and others.
MestRe Nova Std/Lite
- 1D NMR Processing
Process and analyze 1D NMR FID (free induction decay) files.
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The training session has been invaluable. Your expertise and your patience are exemplary. It cannot be easy to teach a 75 year old new tricks but you have done so with the utmost understanding. The software is extraordinarily powerful: you have explained how to use it in simple and understandable terms.
SFThank you so much for your help in this matter. I can now get on with my work without obstructions. I am very grateful and cannot sing your praises enough.
Download SupportGood tutor genuinely interested in student’s needs. This course provided all I needed and more.
GS, Great Dunmow, UKChemdraw 使い方 Tlc
Thank you very much for your efforts and quick reply that saved my week (and work) – I really appreciate this!
DP, London, UKAlfasoft Produkte
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