Engine A · constraint-guided screening

Cleavable Elastane Design

We do not invent a polymer. We enumerate compositions of published monomers, score them with property predictors, and filter against hard constraints. The winner emits its carbamate microenvironment as the enzyme's substrate target.

01 · Screening funnel

Enumerated0

Scored0

Filtered0

Top candidate0

02 · Top candidate fiber-008

isocyanateH12MDI (aliphatic)

PubChem CID16156

soft segmentPolycarbonate-diol 2000 g/mol

chain extenderBDO

hard segment33.4 wt%25-35

Tg soft-51 °C< -50

Tg hard108 °Chard domain

elongation440%>= 400

accessibility0.68

[#6]-[NH]-C(=O)-O-[#6]in-silico · TRL 2-3

03 · Fiber architecture

loading fiber model

Crystalline hard segments (amber) stay intact and load-bearing. The cleavable carbamate bond (green) lives in the amorphous soft segment, so the enzyme reaches it without destroying the stretch. Drag to rotate.

04 · Mechanics vs cleavability

degradability mechanical retention

Curve shapes derived from hard-segment-content vs. property trends in Xu SusMat 2026 (DOI 10.1002/sus2.70038) and enzymatic degradation kinetics in Qin Adv. Sci. 2024 (DOI 10.1002/advs.202400255). Design window validated by Ding et al. 2023 (DOI 10.1007/s10118-022-2838-6). <17 wt% = degrades too fast; >40 wt% = won't degrade.

Substrate handoff

H12MDI/polycarbonate-diol/BDO fiber paired with CalB-derived lipase. The polycarbonate soft segment provides hydrolytic stability in use but cleaves enzymatically under controlled conditions, recovering carbonate-diol monomers.

C1CCC(CC1)NC(=O)OC(=O)OCCCCCC

Engine B