What's New in ACD/AutoChrom

Version 2017.1

Biotools now available for creating sequences using one or three letter codes
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Biotools now available for creating sequences using one or three letter codes

Enhanced capabilities for handling biomolecules

  • Support for standard one-letter and three-letter peptide sequence codes
  • Manage peptide and amino acid nomenclature
  • Easily switch between single and three letter notation, and full structure of amino acids

Data Import/Export

Effortlessly identify the optimal pH range for separations based on stable ionic forms
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Effortlessly identify the optimal pH range for separations based on stable ionic forms
  • Effortlessly identify the optimal pH range for separations based on stable ionic forms (requires ACD/Labs PhysChem Profiler or ACD/LogD) Click to expand
  • Support of FASTA and HELM file formats for biomolecules
  • We continue to improve and support all major instrument vendor data formats. This version includes enhancements to the following:
    • Shimadzu LC-IT-TOF; Waters MassLynx MSE, Empower (and UNIFI); Samsung GC-MS data; Bruker Compass; Thermo Xcalibur; SCIEX Analyst and Triple TOF; JEOL K9; and netCDF
    • Full support of new Bruker TopSpin 4.0 and Avance Neo data format
    • Improved support for JEOL standard, JEOL NUS and benchtop (Magritek, Nanalysis) datasets
    • Ability to export spectra series data in ASCII format
    • Improved support for MSE/All Ions Fragmentation acquisition

Method Strategy and Configuration of Projects

  • Strategies and Projects are at the heart of the ACD/AutoChrom worklow. Enhancements made in this version are intended to greatly improve efficiency and user experience.
  • Expanded comparison criteria for screened experiments. Click to expand
  • Choose to track components between screening experiments, or simply detect and count components

Method Screening & Column Selection

  • Screen columns with the widest range of chromatographic selectivity. The software suggests the most dissimilar available columns based on Tanaka Parameters Click to expand
  • Enhanced visualization of similarities and differences between columns
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    Enhanced visualization of similarities and differences between columns
  • Enhanced visualization of similarities and differences between columns
    • Radar plot overlay, shows column selectivity based on Tanaka parameters and categorization of columns by type (C18, C4, C8, CN, Fluoroalkyl, PEG, PFP, Phenyl, Aqua) for decision-making based on chromatographic principles

Method Transfer

  • Deeper insights into factors that affect methods through automatic calculation of critical solvent properties
    • Calculate pH profile (pH vs time), buffer capacity profile, ionic strength profile
  • Convenient transfer of original solvent gradient information

Data Processing

  • A new and improved deconvolution and component identification algorithm (IntelliXtract 2.0) for LC/MS datasets Click to expand
  • Simplification of LC/MS data processing with the ability to filter and match peaks more easily Click to expand
  • Simpler, new LC/UV peak integration algorithm—detect peaks without additional information from accompanied traces Click to expand
  • Improved workflow with the ability to process screened experiments without peak matching Click to expand
New standard QbD report
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New standard QbD report

Reporting

  • Standard QbD report available which highlights the method development strategy, experiments conducted (for screening and optimization), as well as resolution maps to highlight areas of robustness
  • Improved and widely expanded capabilities for reporting templates Click to expand

Databasing

  • Sequential reaction schemes (drawn in several lines in ChemSketch) may be combined to an overall scheme in a record (redundant reaction arrows in multi-line schemes are recognized and omitted.)
  • Sort values, specific to the root-level structure, in Table view mode.

Ease of Use

  • Many ease of use improvements have been made to this product, some of which are listed below: Click to expand

Click to expandVersion 2015 to Version 2016.1

Click to expandView What's New in the previous version