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Record W2082688382 · doi:10.1021/jp903760p

Systemic Energy Management by Strategically Located Functional Components within Molecular Frameworks, Determined by Systems Chemistry

2009· article· en· W2082688382 on OpenAlexaff
Zoltán Mucsi, Gregory A. Chass, Imre G. Csizmadia

Bibliographic record

VenueThe Journal of Physical Chemistry B · 2009
Typearticle
Languageen
FieldChemistry
TopicSupramolecular Chemistry and Complexes
Canadian institutionsUniversity of Toronto
Fundersnot available
KeywordsUnisonEnthalpyPhysical organic chemistryMoleculeChemistryRedoxChemical energyChemical physicsThermodynamicsFunctional groupRing (chemistry)Component (thermodynamics)Computational chemistryPhysical chemistryOrganic chemistryPhysicsPolymer

Abstract

fetched live from OpenAlex

A novel concept and, therefore, a novel discipline is defined, wherein molecules are described as frameworks of strategically located functional components within molecular structures, acting in unison to effect efficient energy management. The term "systems chemistry" effectively serves to define the phenomenon of an assembly of atoms and functional groups within a molecule having systemic properties "valued" at more than their component sum. The reduction of NAD+ and FAD is complimented by an enthalpy transfer between organic functional components (aromatic ring, amide and olefinic functionalities), yet the sum of the overall energy values (the total system) remains nearly constant, irrespective of which direction the redox reaction proceeds. From this aspect, both NAD+ and FAD operate as real chemical systems of atoms and functional groups, working together within the individual molecules to store the reaction enthalpy as resonance enthalpy, rather than manifesting it as emitted or absorbed heat. In this way, the thermoneutral reaction of the wet combustion occurring in all living cells is made possible by an internal "cooling process".

Fetched live from OpenAlex and de-inverted. Abstracts are not stored in this database: the inverted indexes are 8.6 GB of the frame’s 9.3 GB of text, and the host has 13 GB free.

How this classification was reachedexpand

Full frame machine prediction

Teacher imitation

Not calibrated prevalence, not ground truth. Human validation pending. The Gemma side is a direct model label for every work in the frame, read from the title-only record. The Codex side is a classifier learned from the 10,348 direct Codex labels and calibrated to design-weighted sample rates; fields without enough sample support carry no Codex call. Candidate is the union of the two sides; consensus is their intersection. These outputs are machine_predicted_unvalidated and are not human labels.

metaresearch head score (Codex)0.000
metaresearch head score (Gemma)0.000
Version: metacan-v3-hybrid-931329e0061cValidation status: machine_predicted_unvalidated
Candidate categoriesnone
Consensus categoriesnone
DomainCandidate signal: none · Consensus signal: none
Study designCandidate signal: Bench or experimental · Consensus signal: none
GenreCandidate signal: Empirical · Consensus signal: none
Teacher disagreement score0.001
Threshold uncertainty score0.005

Distilled classifier scores by category (both heads)

CategoryCodexGemma
Metaresearch0.0000.000
Meta-epidemiology (narrow)0.0000.000
Meta-epidemiology (broad)0.0000.000
Bibliometrics0.0000.000
Science and technology studies0.0010.003
Scholarly communication0.0010.002
Open science0.0010.001
Research integrity0.0010.001
Insufficient payload (model declined to judge)0.0010.000

Machine scores (provisional)

The two teacher heads of the student model, read on this work. A score orders the frame for review; it never asserts a category, and the validation status ships verbatim with every row.

Baseline scores from an immature model (maturity gate not passed, 7 training rounds). Scores rank; they never assert a category.

Opus teacher head0.007
GPT teacher head0.202
Teacher spread0.195 · how far apart the two teachers sit on this one work
Validation statusscore_only:v0-immature-baseline · verbatim from the scoring run: score_only means the number may rank works, and no category label ships from it

Classification

machine, unvalidated

Machine predicted; a candidate call from one source (direct Gemma or distilled Codex), not a consensus.

The models applied no category: nothing in the taxonomy fit this work.
Study designBench or experimental
Domainnot available
GenreEmpirical

How this classification was reached, model by model and score by score, is at the end of the page under "How this classification was reached".

Quick stats

Citations16
Published2009
Admission routes1
Has abstractyes

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