Distinguishing Life From Non-life Via Molecular Frontier Orbital Energy Gaps

editorAstrobiology2 hours ago4 Views

Distinguishing Life From Non-life Via Molecular Frontier Orbital Energy Gaps

Overview and performance of the LUMOS framework for biogenicity assessment. a, The LUMOS (Life Unveiled using Molecular Orbital Signatures) framework integrates amino acid abundance measurements with quantum chemical descriptors to evaluate biogenicity. First, the abundance of a set of amino acids is estimated, followed by the computation of molecular descriptors (e.g., HOMO–LUMO gap). These descriptors are then weighted by abundance using statistical features such as weighted variance. The resulting value is used to assess the confidence in biogenicity, informed by additional contextual data and environmental provenance. b, Heatmap of P(B|E), the confidence that a sample is biotic (B) given the observed weighted variance (evidence E) as a function of the number of amino acids measured. The prior P(B) is taken as 0.01. Color intensity reflects the biogenicity probability as determined by Bayesian inference applied to simulated distributions of biotic and abiotic samples. c, Criteria met by the LUMOS framework for distinguishing biotic from abiotic amino acid systems. — astro-ph.EP

Amino acids (AAs) are a key target in the search for life beyond Earth due to their extensive role in the machinery of all known life, persistence over geologic timescales, and analytical detectability.

However, AAs can also arise from abiotic processes on planets and in space. For example, material from asteroid Bennu contained 33 AAs, including 15 of the 20 proteinogenic AAs that are fundamental to life’s functions. Distinguishing life from non-life based on AAs in a sample remains an unsolved problem, particularly when their isotopic and structural signatures (e.g., chirality) could be altered via physicochemical processes.

Here we introduce LUMOS (Life Unveiled via Molecular Orbital Signatures), a statistical framework that distinguishes life from non-life by analyzing the distribution of abundance-weighted HOMO-LUMO gap (HLG) values of AAs within a sample. Compilation of AAs datasets from diverse environments and provenances revealed that abiotic samples display highly uniform distributions of AAs HLGs.

In contrast, biotic samples show greater variance and preference towards AAs with lower HLG, likely reflecting the need for life to control when, where, and how chemical reactions occur. LUMOS achieves >95% accuracy in distinguishing biotic versus abiotic provenance across diverse environmental and extraterrestrial conditions.

These results suggest that varied molecular reactivity within biochemical systems may be a universal feature of life, representing an agnostic biosignature unlinked to the specific set of AAs used by life as we know it. LUMOS is compatible with existing analytical instrumentation, applicable to returned samples or in situ analyses. Broader characterization of abiotic and biotic environments will further refine the chemical boundaries separating biotic from abiotic chemical systems.

José L. Ramírez-Colón, Ziqin Ni, Christopher E. Carr

Comments: Keywords: Life detection, Biosignatures, Amino acids, Frontier Orbitals, HOMO-LUMO Gap, Agnostic. Code available at: https://github.com/jlramirezcolon/hlg-life-detection. AGPLv3 License
Subjects: Earth and Planetary Astrophysics (astro-ph.EP); Chemical Physics (physics.chem-ph); Biomolecules (q-bio.BM)
Cite as: arXiv:2602.18490 [astro-ph.EP] (or arXiv:2602.18490v1 [astro-ph.EP] for this version)
https://doi.org/10.48550/arXiv.2602.18490
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Submission history
From: Christopher Carr
[v1] Wed, 11 Feb 2026 23:48:37 UTC (1,562 KB)
https://arxiv.org/abs/2602.18490
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