PMID- 33029253
OWN - NLM
STAT- PubMed-not-MEDLINE
LR  - 20201009
IS  - 1860-5397 (Print)
IS  - 1860-5397 (Electronic)
IS  - 1860-5397 (Linking)
VI  - 16
DP  - 2020
TI  - A proposed sustainability index for synthesis plans based on input provenance and 
      output fate: application to academic and industrial synthesis plans for vanillin 
      as a case study.
PG  - 2346-2362
LID - 10.3762/bjoc.16.196 [doi]
AB  - This paper describes a sustainability index (SI) as a quantitative measure of 
      "sustainability" applicable to synthesis plans based on the provenance of input 
      materials and energy sources and the fate of output waste products. The index is 
      computed as the root-mean-square average of the following four parameters: mass 
      fraction of valorized inputs (F (VI) ), mass fraction of valorized outputs (F 
      (VO) ), mass fraction of valorized target product (F (VP) ), and input enthalpic 
      energy fraction arising from renewable energy sources (F (RE) ). Valorized input 
      materials originate from renewable, recycled, or reclaimed sources. Valorized 
      output materials are destined for recycling or reclaiming so that they may be 
      used in the same or other chemical processes. Valorized target product refers to 
      that portion of the target product that is actually used for its intended 
      purpose. Renewable energy sources are defined as originating from hydroelectric, 
      wind, solar, geothermal, and biomass sources. The computation of SI is 
      illustrated for 22 synthesis plans of the high commodity flavour ingredient 
      vanillin from biofermentation, chemical synthesis, and solvent extraction 
      processes. In addition, these plans are compared and ranked according to Borda 
      count and poset (partially ordered set) pairwise dominance analyses using the 
      following attributes: process mass intensity (PMI), sacrificial reagent (SR) 
      consumption, input enthalpic energy (IEE) consumption, Rowan solvent greenness 
      index (RSGI), and sustainability index (SI).
CI  - Copyright (c) 2020, Andraos; licensee Beilstein-Institut.
FAU - Andraos, John
AU  - Andraos J
AUID- ORCID: 0000-0002-2982-2708
AD  - CareerChem, 504-1129 Don Mills Road, Toronto, ON, M3B 2W4, Canada.
LA  - eng
PT  - Journal Article
DEP - 20200925
PL  - Germany
TA  - Beilstein J Org Chem
JT  - Beilstein journal of organic chemistry
JID - 101250746
PMC - PMC7522458
OTO - NOTNLM
OT  - Borda count
OT  - Rowan solvent greenness index
OT  - green chemistry
OT  - input enthalpic energy
OT  - poset dominance analysis
OT  - process mass intensity
OT  - sacrificial reagent
OT  - sustainability
OT  - sustainable chemistry
EDAT- 2020/10/09 06:00
MHDA- 2020/10/09 06:01
PMCR- 2020/09/25
CRDT- 2020/10/08 05:32
PHST- 2019/10/04 00:00 [received]
PHST- 2020/09/02 00:00 [accepted]
PHST- 2020/10/08 05:32 [entrez]
PHST- 2020/10/09 06:00 [pubmed]
PHST- 2020/10/09 06:01 [medline]
PHST- 2020/09/25 00:00 [pmc-release]
AID - 10.3762/bjoc.16.196 [doi]
PST - epublish
SO  - Beilstein J Org Chem. 2020 Sep 25;16:2346-2362. doi: 10.3762/bjoc.16.196. 
      eCollection 2020.