SantaLucia 1998 — Unified nearest-neighbor thermodynamics for DNA

Full citation: SantaLucia J Jr. “A unified view of polymer, dumbbell, and oligonucleotide DNA nearest-neighbor thermodynamics.” Proc Natl Acad Sci USA. 1998 Feb 17;95(4):1460-5. PMID 9465037.

Numbers that matter

Unified nearest-neighbor ΔH (kcal/mol) and ΔS (cal/mol/K) parameters for all 10 unique DNA:DNA dinucleotide pairs (1 M NaCl, 0.2 µM oligonucleotide):

Dinucleotide (5’→3’)ΔH (kcal/mol)ΔS (cal/mol/K)
AA/TT−7.9−22.2
AT/TA−7.2−20.4
TA/AT−7.2−21.3
CA/GT−8.5−22.7
GT/CA−8.4−22.4
CT/GA−7.8−21.0
GA/CT−8.2−22.2
CG/GC−10.6−27.2
GC/CG−9.8−24.4
GG/CC−8.0−19.9

Initiation parameters: ΔH_init = 0.2 kcal/mol, ΔS_init = −5.7 cal/mol/K (for oligomers with terminal GC).

Tm formula: Tm = (1000 × ΔH) / (ΔS + R × ln(C_T/4)) − 273.15 (for non-self-complementary duplexes), with salt correction 16.6 × log10([Na+]).

Usage in STRC vault

  • aso_phase1_design.py (h08): NN_dH and NN_dS dictionaries embedded in script exactly match the published table above. The script applies these as DNA:RNA proxy (appropriate for relative ranking). ✅
  • h08 audit (2026-04-23) stated “values match published SantaLucia 1998 unified parameters exactly (e.g., AA: dH=-7.9, dS=-22.2; CG: dH=-10.6, dS=-27.2).” Independently confirmed 2026-04-25.

Notes

  • The 108-oligonucleotide training set gives R² > 0.98 between predicted and measured Tm across a wide range.
  • SantaLucia 1998 supersedes the earlier 7-parameter set (SantaLucia et al. 1996). The unified set is the current gold standard.
  • Applying DNA:DNA parameters as proxy for DNA:RNA hybrid Tm introduces ~1-3°C systematic bias (RNA:DNA hybrids are slightly more stable). Acceptable for relative ranking; insufficient for absolute Tm prediction of ASO–mRNA hybrids.

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