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Record W433825143 · doi:10.1520/stp156920120154

Design of Novel Solvents for Agrochemical Formulations via Solvatochromic Methods using N-Alkyl substituted Amides as Example

2014· book-chapter· en· W433825143 on OpenAlexaff
Peter Westbye, Martina Andersson, James L. Hazen, Karin Bergström

Bibliographic record

Venuenot available
Typebook-chapter
Languageen
FieldChemistry
TopicChemical Reaction Mechanisms
Canadian institutionsAkzoNobel (Canada)
Fundersnot available
KeywordsAgrochemicalSolvatochromismAlkylCombinatorial chemistryChemistryOrganic chemistryBiochemical engineeringComputational chemistryMoleculeEngineeringBiology

Abstract

fetched live from OpenAlex

Finding new candidate solvents that can work as replacers for banned solvents, or that could be an improvement to existing solvents, is a time-consuming procedure. It is important to know how solvent structure affects interactions with active ingredients and how it will affect the performance in the application. To fully understand the interactions between solvents and solutes, there is a need to understand the types of interactions that are involved in such systems. This article discusses polar interaction between solvents and solutes and presents the methods that monitor polarity. Improved methods to monitor solute solubility and water solubility are also presented. Two classes of solvents are used as examples, namely, N,N-dimethyl alkaneamides and N-alkyl, N-methyl formamides. Tebuconazole is used as a model solute. The solubility of tebuconazole in the mentioned solvents as well as formulation stability is related to fundamental interaction parameters. It is clear from the analysis that there exists a correlation between the β-parameter (electron donating properties) and the solubility of tebuconazole for amide solvents. It can also be seen that the two classes of solvents investigated in this study interact to a different extent with water (i.e. both the solubility of solvent in water and the solubility of water in the solvent). From the results, it is also clear that the N-decyl, N-methyl formamide is the best suited solvent to obtain stable formulations and emulsions at low temperature for high concentrations of tebuconazole.

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 distilled prediction

Teacher imitation

Not calibrated prevalence, not ground truth. Human validation pending. Learned from the 10,348 direct Codex labels and 10,348 direct Gemma labels. Candidate is the union of thresholded teacher heads; consensus is their intersection. These outputs are machine_predicted_unvalidated and are not human labels or direct frontier model labels.

metaresearch head score (Codex)0.000
metaresearch head score (Gemma)0.000
Version: codex-gemma-dda1882f352aValidation status: machine_predicted_unvalidated
Candidate categoriesMeta-epidemiology (narrow), Insufficient payload (model declined to judge)
Consensus categoriesnone
DomainCandidate signal: none · Consensus signal: none
Study designCandidate signal: Bench or experimental · Consensus signal: Bench or experimental
GenreCandidate signal: Methods · Consensus signal: Methods
Teacher disagreement score0.065
Threshold uncertainty score1.000

Codex and Gemma teacher scores by category

CategoryCodexGemma
Metaresearch0.0000.000
Meta-epidemiology (narrow)0.0010.001
Meta-epidemiology (broad)0.0010.001
Bibliometrics0.0000.000
Science and technology studies0.0000.000
Scholarly communication0.0000.000
Open science0.0000.000
Research integrity0.0010.000
Insufficient payload (model declined to judge)0.0030.000

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 head0.135
GPT teacher head0.355
Teacher spread0.219 · 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 teacher head, not a consensus.

Study designBench or experimental
Domainnot available
GenreMethods

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

Citations1
Published2014
Admission routes1
Has abstractyes

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