{"id":"W4414357492","doi":"10.1016/j.molstruc.2025.144067","title":"Alkyl chain architecture controls low‑pour‑point behavior in pentaerythritol synthetic ester insulating oils: A molecular dynamics‑guided experimental study","year":2025,"lang":"en","type":"article","venue":"Journal of Molecular Structure","topic":"Petroleum Processing and Analysis","field":"Chemistry","cited_by":1,"is_retracted":false,"has_abstract":false,"ca_institutions":"Cégep de Chicoutimi; Université du Québec à Chicoutimi","funders":"Fundamental Research Funds for the Central Universities; Graduate Scientific Research and Innovation Foundation of Chongqing; National Natural Science Foundation of China","keywords":"Pentaerythritol; Branching (polymer chemistry); Alkyl; van der Waals force; Molecular dynamics; Intermolecular force; Degree of unsaturation; Crystal (programming language)","routes":{"ca_aff":true,"ca_fund":false,"ca_venue":false,"about_ca":false,"invisible_to_affiliation_only":false},"retraction":null,"screen":null,"direct_labels":[],"prediction":{"model_version":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.00009267389,0.0001655921,0.00007631432,0.00006096087,0.0001466223,0.000183517,0.0002196658,0.0001416059,0.001285608],"category_scores_gemma":[0.0002029436,0.0001142191,0.00005537824,0.00008678882,0.0002264579,0.0003093123,0.0001276809,0.0003122393,0.0001756186],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0002684954,"about_ca_system_score_gemma":0.0001421745,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0008151713,"about_ca_topic_score_gemma":0.00123762,"domain_scores_codex":[0.9999697,0.000002756561,0.000001263033,0.000007229462,0.000009023445,0.000009975792],"domain_scores_gemma":[0.9999161,0.00003397944,0.00002227005,0.000007269552,0.00001342988,0.000006890647],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"bench_or_experimental","study_design_gemma":"bench_or_experimental","study_design_scores_codex":[0.0001550353,0.0000298401,0.0002843584,0.00002710357,0.000002278282,0.00002580769,0.00005398251,0.00126945,0.9960524,0.0002941761,0.00003955856,0.001765925],"study_design_scores_gemma":[0.00001078698,0.0001254644,0.0007453428,0.000002031159,0.000003548389,0.0000113385,0.0000369445,0.01038028,0.9883026,0.00003844391,0.0003374438,0.000005749182],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9988309,0.00004675513,0.0006575973,0.00001361729,0.000002197753,0.000002747886,0.00003142073,0.0000137596,0.0004010189],"genre_scores_gemma":[0.9991817,0.00007651455,0.0004316059,0.000003322582,7.133612e-7,0.000003617379,0.00003216108,0.00000857404,0.0002616397],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.001285608,"threshold_uncertainty_score":0.004300773,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.004466023398503547,"score_gpt":0.2650747912438186,"score_spread":0.2606087678453151,"validation_status":"score_only:v0-immature-baseline","note":"Baseline scores from an immature model (maturity gate not passed). Scores rank; they never assert a category."}}