Support Software for Data Acquisition, Analysis, and Preparative Purification for LC and LC-MS Systems Open Solution

Significance of the topic

Open Solution addresses recurring practical needs in laboratories that operate LC and LC‑MS systems in shared, open‑access environments. It targets increased throughput, reproducibility, instrument uptime, and simplified preparative scale‑up workflows. By combining automated instrument conditioning, centralized data handling, remote access, and preparative scale‑up algorithms, the software aims to reduce routine management overhead, prevent sample loss due to instrument failure, and accelerate the transition from analytical screening to preparative purification—critical improvements for medicinal chemistry, synthetic development, and natural‑product isolation.

Objectives and overview of the product

The primary objective of Open Solution is to streamline the complete LC/LC‑MS workflow in multi‑user laboratories: from sample registration and automated data acquisition through unified data analysis to preparative‑scale method generation and integration with preparative hardware. Key product goals are intuitive operation for non‑specialist users, remote and email‑based notifications, continuous instrument readiness via automatic conditioning and system stability testing (SST), and automated scale‑up to preparative conditions using the ASAPrep algorithm. Integration with Purification Solution and the Nexera UFPLC extends the scope up to purification and powder preparation.

Methodology and used instrumentation

Open Solution is software that interfaces with LC and LC‑MS instrumentation to coordinate acquisition, monitoring, and downstream processing. Its methodology elements include centralized sample registration, single‑window method selection and run control, multi‑channel display of UV and MS chromatograms/spectra for rapid comparison, scheduled conditioning and SST checks, automatic idle/sleep and shutdown policies, and the ASAPrep algorithm for analytical‑to‑preparative scale‑up. When paired with Purification Solution and Nexera UFPLC, it supports automated transfer of scale‑up parameters and workflows for concentration, desalting, purification and powdering.

• Typical instruments referenced: analytical LC, LC‑MS systems, Nexera LC platform, Nexera UFPLC preparative system.
• Software components: Open Solution (data acquisition and analysis), ASAPrep (scale‑up algorithm), Purification Solution (prep control for UFPLC).

Main results and discussion (functional capabilities and demonstrated benefits)

Open Solution demonstrates several practical benefits rather than experimental results: it consolidates multi‑detector data (UV and MS) into a single analysis window to speed identification of targets and impurities; notifies users by email when runs complete, enabling efficient remote analysis; and reduces idle time through scheduled startup/conditioning and automatic low‑flow or shutdown modes for energy and solvent savings. The SST routine provides proactive detection of column wear, contamination, or other performance drift, with automatic alerts to administrators to avoid sample loss. The ASAPrep scale‑up algorithm streamlines generation of preparative conditions from analytical separations and, when integrated with Nexera UFPLC via Purification Solution, enables a largely automated preparative pipeline from screening to purification and powder collection, increasing throughput for routine preparative tasks.

Operational considerations: the system improves throughput especially where repeatable, routine runs are common and where multiple users share instruments. Full automation of preparative workflows requires compatible preparative hardware (Nexera UFPLC) and may depend on local network configuration and license availability. Data integrity and archive management are centralized on an Open Solution server to support remote analysis and administrative oversight.

Benefits and practical applications

• Laboratory efficiency: simplified single‑window operation, reduced training time for new users, and remote result access.
• Reliability and uptime: scheduled conditioning, SST monitoring, and automatic notifications reduce unexpected downtime and sample loss.
• Throughput for preparative workflows: ASAPrep‑assisted scale‑up and integration with Purification Solution/Nexera UFPLC accelerate transition from analytical screening to purified product.
• Energy and solvent savings: configurable idle, low‑flow and shutdown behaviors support greener lab operation.
• Target user spaces: medicinal chemistry, synthetic-product purification, impurity preparation and analysis, scaling to preparative work, and natural‑product fractionation.

Future trends and potential applications

• Deeper automation and AI: incorporation of machine learning for automated method optimization, retention prediction, and adaptive fractionation strategies to further reduce method development time.
• Expanded cloud/LIMS integration: tighter interoperability with laboratory information management systems and secure cloud services for centralized QA/QC, audit trails, and multi‑site coordination.
• Predictive maintenance: analytics on SST and instrument logs to forecast failures and schedule preventive maintenance before performance loss occurs.
• Broader hardware support: extension of compatible preparative platforms and MS vendors to widen applicability in diverse labs.
• Sustainability features: automated solvent usage optimization and instrument power management driven by usage analytics.

Conclusion

Open Solution is positioned as a practical software platform for multi‑user LC and LC‑MS environments that need reliable, repeatable, and scalable workflows. Its core value lies in unifying acquisition and analysis in a single interface, automating routine conditioning and stability checks, enabling remote analysis and notifications, and accelerating preparative workflows through the ASAPrep algorithm and integration with Nexera UFPLC and Purification Solution. For labs engaged in routine screening, impurity analysis, and preparative purification, the package promises measurable gains in throughput, reproducibility, and operational efficiency, while future enhancements could bring greater AI‑driven method development and predictive maintenance capabilities.

References

• Shimadzu Corporation. Open Solution: Support Software for Data Acquisition, Analysis, and Preparative Purification for LC and LC‑MS Systems. First Edition December 2024, C191‑E060A.