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Record W2776121508 · doi:10.1021/acs.cgd.7b01202

Effects of Additives on the Morphology of Thiamine Nitrate: The Great Difference of Two Kinds of Similar Additives

2017· article· en· W2776121508 on OpenAlexaff
Dandan Han, Bo Yu, Yumin Liu, Shichao Du, Sohrab Rohani, Teng Zhang, Shiyuan Liu, Peng Shi, Haisheng Wang, Lina Zhou, Junbo Gong

Bibliographic record

VenueCrystal Growth & Design · 2017
Typearticle
Languageen
FieldMaterials Science
TopicCrystallization and Solubility Studies
Canadian institutionsWestern University
FundersMinistry of Science and Technology of the People's Republic of ChinaNational Natural Science Foundation of China
KeywordsThiamineChemistryAlkylHydrogen bondSupersaturationNitrateSodium nitrateCrystal (programming language)Inorganic chemistryDiffusionAqueous solutionSolubilityMoleculeSodiumOrganic chemistry

Abstract

fetched live from OpenAlex

The growth of thiamine nitrate, in supersaturated aqueous solutions in the absence and presence of sodium alkyl sulfates CH 3 (CH 2 ) n SO 4 Na and sodium alkyl sulfonates CH 3 (CH 2 ) n SO 3 Na was studied by a single seed crystal growth experiment. It was surprisingly found that the growth of the a -axis of thiamine nitrate is significantly inhibited by CH 3 (CH 2 ) n SO 4 Na, thus reducing the aspect ratio of thiamine nitrate, while the aspect ratio of thiamine nitrate in the presence of CH 3 (CH 2 ) n SO 3 Na remains almost constant. Furthermore, the mechanism of additives to modify the crystal morphology is proposed: both additives can inhibit the growth of thiamine nitrate by hindering the solute diffusion. However, their unusual behavior is due to the selective adsorption, which was caused by electrostatic and hydrogen bond interactions between solute and additive molecules. In particular, the anionic groups exposed at the end of the additives demonstrate an interesting case in which a small variation in the charge density and hydrogen bonding ability can lead to a marked difference in modifying the crystal growth behavior. The results obtained from this study should be helpful in the performance evaluation and selection of the morphology modifiers for thiamine nitrate crystals.

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)0.001
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: Bench or experimental
GenreCandidate signal: Empirical · Consensus signal: Empirical
Teacher disagreement score0.002
Threshold uncertainty score0.003

Distilled classifier scores by category (both heads)

CategoryCodexGemma
Metaresearch0.0000.001
Meta-epidemiology (narrow)0.0010.000
Meta-epidemiology (broad)0.0000.000
Bibliometrics0.0000.000
Science and technology studies0.0000.000
Scholarly communication0.0000.000
Open science0.0000.000
Research integrity0.0000.000
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 head0.034
GPT teacher head0.271
Teacher spread0.236 · 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

Citations38
Published2017
Admission routes1
Has abstractyes

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