Kwercetyna flawonoid, 50g, CAS 117-39-5 — odczynnik

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Odczynnik chemiczny Kwercetyna flawonoid (CAS 117-39-5). Pełna karta encyklopedyczna — klasyfikacja, właściwości i dane bezpieczeństwa — poniżej.

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MolGod_SDSCARD_1
REACH 2020/878
v16 · 26.07.2026
🧬 Wizualizator molekuły 3D
Ładowanie molekuły...
Model 3D Quercetin, CAS 117-39-5, wzór sumaryczny C15H10O7, masa molowa 302.23 g/mol

Dane transkrybowane z rejestrów regulacyjnych i literatury fachowej, z podaniem źródła i wydania. Nie zastępują karty charakterystyki dostawcy. Pola bez zapisanego źródła oznaczone jako takie.

Przegląd chemiczny: QuercetinMolGod_OVERVIEW_1
Wzór sumarycznyC15H10O7[1]
Masa cząsteczkowa302.23 g/mol[1]
Temperatura topnienia317 °C[1]
LogP (lipofilowość)1.5[1]
Nazwa IUPAC2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxychromen-4-one[1]
SMILESC1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O)O)O[1]
InChIKeyREFJWTPEDVJJIY-UHFFFAOYSA-N[1]

Synonimy: quercetin · 117-39-5 · Meletin · Sophoretin · Xanthaurine

Źródła danych: PubChem (NLM/NIH)
Last updated: 2026-06-30

📚 Naukowe referencje (Chicago Author-Date) (1 źródeł)
  1. PubChem. National Center for Biotechnology Information (NIH/NLM), chemical compound database. dotyczy: Wzór sumaryczny · Masa cząsteczkowa · Temperatura topnienia · LogP (lipofilowość) · Nazwa IUPAC · SMILES · InChIKey

BADANIA NAUKOWE

[1]EuropePMC2026
Feng, M; Zhou, X; Yang, T; Chen, Z. 2026. "Quercetin prevents age-related hearing loss in C57BL/6J mice by activating mitophagy and inhibiting the NLRP3 inflammasome." PloS one. https://doi.org/10.137
[2]EuropePMC2026
Alves, ÉR; Silva, JGMD; Melo, IMF; Santos, LCDS. 2026. "Melatonin and Quercetin Co-Treatment Attenuates Hepatic Damage in Diabetic Rats by Mitigating Oxidative Stress and Inflammation." Journal of bio
[3]EuropePMC2026
Jumriani, J; Aswad, M; Ratnawati, R; Filmaharani, F. 2026. "<i>In Vivo</i> and <i>In Silico</i> Analysis of Quercetin's Effects on Glycemic Regulation." Scientifica. https://do
[4]EuropePMC2026
Tang, Y; Jiang, YH; Wu, CY; Wang, GT. 2026. "Quercetin alleviates CCl<sub>4</sub>-induced liver fibrosis via regulating gut microbiota and the AGE-RAGE/PI3K/Akt signaling axis." Biochemist
[5]EuropePMC2026
Zhao, L; Guo, B; Dong, X; Du, Y. 2026. "Targeting the Hedgehog Signaling Pathway in the Retina Using Quercetin-Loaded Lipid Nanoparticles for Myopia Control." Translational vision science & technology
[6]EuropePMC2026
Shen, D; Kong, W; Qiu, H; Yuan, H. 2026. "Quercetin Alleviates Cerebral Ischemia-Induced Neuroinflammation by Inhibiting Microglia-Mediated NLRP3/Caspase-1/GSDMD Pathway." Cells. https://doi.org/10.33
[7]EuropePMC2026
Bai, H; Xu, Y; Zhao, B; Qin, X. 2026. "The mechanisms of myricetin and quercetin in regulating miRNA-140 and MMP/TIMP signaling pathway in osteoarthritis treatment." Pakistan journal of pharmaceutical
[8]EuropePMC2026
Santos, I; Costa, VM; Carvalho, F; Fernandes, E. 2026. "Quercetin mitigates size-dependent oxidative and metabolic toxicity of citrate-coated silver nanoparticles in human erythrocytes." Archives of t
📚 Naukowe referencje (Chicago Author-Date) 16 refs · 3 baz

MOLEKUŁA Bibliografia per-CAS (live z 13+ baz)

Źródła: db:europepmc (14) · db:pubmed (1) · db:Europe PMC (1)

  1. db:europepmc Feng, M; Zhou, X; Yang, T; Chen, Z. 2026. "Quercetin prevents age-related hearing loss in C57BL/6J mice by activating mitophagy and inhibiting the NLRP3 inflammasome." PloS one. https://doi.org/10.1371/journal.pone.0342423.
  2. db:europepmc Alves, ÉR; Silva, JGMD; Melo, IMF; Santos, LCDS. 2026. "Melatonin and Quercetin Co-Treatment Attenuates Hepatic Damage in Diabetic Rats by Mitigating Oxidative Stress and Inflammation." Journal of biochemical and molecular toxicology. https://doi.org/10.1002/jbt.70855.
  3. db:europepmc Jumriani, J; Aswad, M; Ratnawati, R; Filmaharani, F. 2026. "<i>In Vivo</i> and <i>In Silico</i> Analysis of Quercetin's Effects on Glycemic Regulation." Scientifica. https://doi.org/10.1155/sci5/5159975.
  4. db:europepmc Tang, Y; Jiang, YH; Wu, CY; Wang, GT. 2026. "Quercetin alleviates CCl<sub>4</sub>-induced liver fibrosis via regulating gut microbiota and the AGE-RAGE/PI3K/Akt signaling axis." Biochemistry and biophysics reports. https://doi.org/10.1016/j.bbrep.2026.102540.
  5. db:europepmc Zhao, L; Guo, B; Dong, X; Du, Y. 2026. "Targeting the Hedgehog Signaling Pathway in the Retina Using Quercetin-Loaded Lipid Nanoparticles for Myopia Control." Translational vision science & technology. https://doi.org/10.1167/tvst.15.4.3.
  6. db:europepmc Shen, D; Kong, W; Qiu, H; Yuan, H. 2026. "Quercetin Alleviates Cerebral Ischemia-Induced Neuroinflammation by Inhibiting Microglia-Mediated NLRP3/Caspase-1/GSDMD Pathway." Cells. https://doi.org/10.3390/cells15060552.
  7. db:europepmc Bai, H; Xu, Y; Zhao, B; Qin, X. 2026. "The mechanisms of myricetin and quercetin in regulating miRNA-140 and MMP/TIMP signaling pathway in osteoarthritis treatment." Pakistan journal of pharmaceutical sciences. https://doi.org/10.36721/pjps.2026.39.8.226.1.
  8. db:europepmc Santos, I; Costa, VM; Carvalho, F; Fernandes, E. 2026. "Quercetin mitigates size-dependent oxidative and metabolic toxicity of citrate-coated silver nanoparticles in human erythrocytes." Archives of toxicology. https://doi.org/10.1007/s00204-026-04308-z.
  9. db:europepmc Liu, G; Kong, X; Zhao, Y; Cai, N. 2026. "Quercetin Ameliorates Comorbid Insomnia in Diarrhea-Predominant Irritable Bowel Syndrome via the PI3K/AKT/NF-κB Signaling Pathway." Biomedicines. https://doi.org/10.3390/biomedicines14030692.
  10. db:europepmc Zhang, L; Chen, Z; Yang, M; Sun, H. 2026. "Quercetin upregulates steroid hormone biosynthesis to enhance reproductive performance in roosters." Poultry science. https://doi.org/10.1016/j.psj.2026.106590.
  11. db:europepmc Wang, Z; Huang, J; Huang, D; An, R. 2026. "Quercetin suppresses the progression of HBV-associated hepatocellular carcinoma by modulating the EGFR signaling pathway." PloS one. https://doi.org/10.1371/journal.pone.0350584.
  12. db:europepmc Zhai, C; Wu, Q; Yang, X; Xie, Y. 2026. "Quercetin alleviates LPS-induced inflammatory response in dairy cow lamellar keratinocytes through PI3K/Akt/NF-κB signaling pathway." BMC veterinary research. https://doi.org/10.1186/s12917-026-05300-6.
  13. db:europepmc Naddafi, M; Udayabhaskararao, T. 2026. "Protective effects of rutin and quercetin against diazinon-induced toxicity in Wistar Rat Liver." Scientific reports. https://doi.org/10.1038/s41598-026-52967-w.
  14. db:europepmc Hong, L; Xia, S; Chen, N; Wang, Z. 2025. "Quercetin's regulation of glucose and lipid metabolism in gestational diabetes mellitus: role of the PCSK9/LDLR axis." Nutrition & metabolism. https://doi.org/10.1186/s12986-025-01048-2.
  15. db:pubmed Vásquez-Garzón VR, Velázquez-Enríquez JM, Santos-Álvarez JC et al.. (2025). "Quercetin in Idiopathic Pulmonary Fibrosis and Its Comorbidities: Gene Regulatory Mechanisms and Therapeutic Implications.". Genes. https://doi.org/10.3390/genes16080856
  16. db:Europe PMC (1992). "Toxicology and Carcinogenesis Studies of Quercetin (CAS No. 117-39-5) in F344 Rats (Feed Studies).".
📊 Właściwości fizykochemiczne

Szybki przegląd

Wzór: C15H10O7
MW: 302.23 g/mol
CAS: 117-39-5
Wygląd: Żółte igły (rozcieńczony alkohol, +2 woda)

Właściwości szczegółowe

Uzupełnienie tabeli „Właściwości fizykochemiczne (baza danych)” poniżej — powtórzone wartości pokazujemy tylko raz.

Właściwość Wartość Jednostka Warunki Źródło
Temperatura wrzenia (bp) Sublimes (NTP, 1992) CAMEO Chemicals ↗
🔬 Właściwości zaawansowane

Identyfikatory chemiczne

SMILES: C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O)O)O
InChI: InChI=1S/C15H10O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,16-19,21H
InChIKey: REFJWTPEDVJJIY-UHFFFAOYSA-N

Źródła danych: CAMEO Chemicals

Ostatnia aktualizacja: 2026-06-14

Status regulacyjny substancji
Ta substancja podlega wymogom regulacyjnym: gospodarka odpadami niebezpiecznymi (BDO). Szczegoly w sekcji "Status regulacyjny (REACH/ECHA/CLP)" oraz na karcie SDS. Informacja regulacyjna — nie ogranicza zakupu w sklepie.
🧮 Kalkulator stechiometrycznyMolGod_STOICH_1
🔍 Identyfikatory zewnętrzneMolGod_EXTID_1
14 z 16 systemów ID88%
BazaIdentyfikatorAkcje
CAS Registry Number117-39-5Otwórz →
PubChem CID5280343[1]Otwórz →
InChIKeyREFJWTPEDVJJIY-UHFFFAOYSA-N[1]Otwórz →
InChIInChI=1S/C15H10O7/c16-7-4-10(19)12-11(5-7)22-15(…[1]
SMILESC1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O)O)O[1]
EC Number204-187-1[2]Otwórz →
DrugBankDB04216Otwórz →
KEGG CompoundC00389Otwórz →
HMDBHMDB0005794Otwórz →
ChemSpider4444051[3]Otwórz →
MeSH UID (NLM)D011794Otwórz →
UNII (FDA)9IKM0I5T1EOtwórz →
NSC Number (NCI)9219Otwórz →
WikiData QIDQ409478Otwórz →

Źródła: PubChem (NIH), Wikidata SPARQL, KEGG, ChEMBL (EBI), CompTox CTX (EPA).

📚 Naukowe referencje (Chicago Author-Date) (3 źródeł)
  1. PubChem. National Center for Biotechnology Information (NIH/NLM), chemical compound database. dotyczy: PubChem CID · InChIKey · InChI · SMILES
  2. ECHA. EC Inventory — EINECS, ELINCS, NLP and List Numbers assigned under REACH. Helsinki: European Chemicals Agency. dotyczy: EC Number
  3. ChemSpider. Royal Society of Chemistry, chemical structure database. dotyczy: ChemSpider
📡 Spektroskopia — CAS 117-39-5MolGod_SPECHUB_MAIN
📊 Bazy widm spektroskopowych — dane inline 9 źródeł MolGod_SPECDB_2

Widma pobierane na żądanie z 9 źródeł. Każde widmo jest zapisywane w naszej bazie — kolejne otwarcie = zero zapytania do zewnętrznego API. Pobierz JCAMP-DX / CSV / PNG przy każdym widmie bez szukania.

IR IR (Infrared) — NIST WebBook
Public domain (US Federal)
▶ Kliknij aby załadować widmo
🔗 Źródło
punktów
📚 NIST Chemistry WebBook, SRD 69
MS (NIST) Mass Spectrum (EI) — NIST WebBook
Public domain (US Federal)
▶ Kliknij aby załadować widmo
🔗 Źródło
punktów
📚 NIST Standard Reference Database 1A
UV-Vis UV/Visible Absorption — NIST WebBook
Public domain (US Federal)
▶ Kliknij aby załadować widmo
🔗 Źródło
punktów
📚 NIST Chemistry WebBook, SRD 69
¹H NMR NMR (¹H, ¹³C) — NMRShiftDB
CC-BY-SA 4.0
▶ Kliknij aby załadować widmo
🔗 Źródło
punktów
📚 Steinbeck C et al. (2003) J. Chem. Inf. Comput. Sci. 43(1):10–16 DOI: 10.1021/ci025588g
MS (MoNA) MoNA — MassBank of North America
CC-BY 4.0
▶ Kliknij aby załadować widmo
🔗 Źródło
punktów
📚 MassBank of North America (UC Davis) DOI: 10.1002/jms.1777
IR/NMR/MS (SDBS) SDBS — Spectral Database for Organic Compounds (Japan AIST)
Free for non-commercial

Źródło referencyjne — brak publicznego API. Otwórz w zewnętrznej bazie:

🔗 IR/NMR/MS (SDBS) →
📚 SDBSWeb: https://sdbs.db.aist.go.jp (AIST, Japan)
JP Monograph Japanese Pharmacopoeia — Monographs
Reference only

Źródło referencyjne — brak publicznego API. Otwórz w zewnętrznej bazie:

🔗 JP Monograph →
📚 Japanese Pharmacopoeia 18th Edition (2021)
WHO INN WHO — International Nonproprietary Names
WHO Model Lists (free)

Źródło referencyjne — brak publicznego API. Otwórz w zewnętrznej bazie:

🔗 WHO INN →
📚 WHO INN Programme
DOAJ DOAJ — Directory of Open Access Journals
OA journal index (mixed)

Źródło referencyjne — brak publicznego API. Otwórz w zewnętrznej bazie:

🔗 DOAJ →
📚 DOAJ — doaj.org
🔬 Interaktywne widma (live — NIST / MoNA / NMRShiftDB / SDBS) (2)

Dane pobierane na żywo z wielu źródeł (priority-chain). JCAMP-DX / CSV / PNG dostępne do pobrania pod każdym widmem.

IR — Fourier-transform infrared

Ładowanie IR — Fourier-transform infrared…

MS — Mass spectrometry (EI 70eV)

Ładowanie MS — Mass spectrometry (EI 70eV)…

📐 Właściwości fizykochemiczne (baza danych) 3 fields MolGod Score: Brak źródła
Property Value Unit Conditions Source
Temperatura topnienia 317 [1] °C 1 atm Brak źródła pierwotnego
Rozpuszczalność w wodzie 0.06 g/L 25°C Brak źródła pierwotnego
logP (oktanol/woda) 1.5 [1] Brak źródła pierwotnego
📚 Naukowe referencje (Chicago Author-Date) (1 źródeł)
  1. PubChem. National Center for Biotechnology Information (NIH/NLM), chemical compound database. dotyczy: Temperatura topnienia · logP (oktanol/woda)
🔄 Konwerter jednostek stężeń LIVE MolGod_UNITCONV_1

Wpisz stężenie Quercetin w dowolnej jednostce — reszta obliczy się automatycznie.

MW: 302.23 g/mol · IUPAC Gold Book ↗

⚗️ Wzory konwersji + cytacje (per formuła)
KonwersjaWzórDokładnośćŹródło
% (w/v) ↔ molarityc (mol/L) = (% × 10) / MW±0.5% rel. when density ≈ 1.0 g/mLIUPAC (2019)
millimolar ↔ molarc (mol/L) = mM × 10⁻³ExactCohen ER, Cvitaš T, Frey JG, Holmström B, Kuchitsu K, Marquardt R, Mills I, Pavese F, Quack M, Stohner J, Strauss HL, Takami M, Thor AJ (2007)
molarity (mol/L)c = n/V = (m/MW)/V±0.1% (depends on MW precision)IUPAC (2019)
parts per million (mg/L) ↔ molarityc (mol/L) = ppm / (1000 × MW); equivalently ppm = mg/L for dilute aqueous±1% (density-independent for dilute solutions)IUPAC (2019)
mg/mL ↔ molarityc (mol/L) = (mg/mL × 1000) / MW / 1000 = mg/mL / MW × 1±0.2%Cohen ER, Cvitaš T, Frey JG, Holmström B, Kuchitsu K, Marquardt R, Mills I, Pavese F, Quack M, Stohner J, Strauss HL, Takami M, Thor AJ (2007)
g/L ↔ molarityc (mol/L) = (g/L) / MW±0.1% (depends on MW precision)Cohen ER, Cvitaš T, Frey JG, Holmström B, Kuchitsu K, Marquardt R, Mills I, Pavese F, Quack M, Stohner J, Strauss HL, Takami M, Thor AJ (2007)
mmol/L ↔ molarityc (mol/L) = mmol/L × 10⁻³ExactCohen ER, Cvitaš T, Frey JG, Holmström B, Kuchitsu K, Marquardt R, Mills I, Pavese F, Quack M, Stohner J, Strauss HL, Takami M, Thor AJ (2007)
Celsius ↔ KelvinT(K) = t(°C) + 273.15±0.01 K (ITS-90 scale)BIPM (Bureau International des Poids et Mesures) (2019)
Celsius ↔ FahrenheitT(°F) = T(°C) × 9/5 + 32±0.1 °FThompson A, Taylor BN (2008)
density-corrected % ↔ molarityc (mol/L) = (%w/w × ρ × 10) / MW, ρ in g/mL±0.1% when ρ known to 3 decimalsCohen ER, Cvitaš T, Frey JG, Holmström B, Kuchitsu K, Marquardt R, Mills I, Pavese F, Quack M, Stohner J, Strauss HL, Takami M, Thor AJ (2007)
📚 Bibliografia (8 źródeł autorytatywnych)
  1. Thompson A, Taylor BN (2008). Guide for the Use of the International System of Units (SI). NIST Special Publication 811 · DOI: 10.6028/NIST.SP.811-2008
    → Primary SI standard for US scientific usage
  2. Cohen ER, Cvitaš T, Frey JG, Holmström B, Kuchitsu K, Marquardt R, Mills I, Pavese F, Quack M, Stohner J, Strauss HL, Takami M, Thor AJ (2007). Quantities, Units and Symbols in Physical Chemistry — The IUPAC Green Book. RSC Publishing, 3rd ed. · DOI: 10.1039/9781847557889 · ISBN: 978-0-85404-433-7
    → Canonical IUPAC guide for chemistry quantities/units
  3. BIPM (Bureau International des Poids et Mesures) (2019). The International System of Units (SI), 9th edition. BIPM ·
    → International SI definitions (incl. redefined kilogram 2019)
  4. ISO/IEC (2022). Quantities and units — Part 1: General. International Organization for Standardization — ISO 80000-1:2022 ·
    → General rules for physical quantities and units
  5. ISO/IEC (2019). Quantities and units — Part 9: Physical chemistry and molecular physics. International Organization for Standardization — ISO 80000-9:2019 ·
    → Concentration / molality / amount-of-substance conventions
  6. Tiesinga E, Mohr PJ, Newell DB, Taylor BN (2021). CODATA recommended values of the fundamental physical constants: 2018. Rev. Mod. Phys. 93(2):025010 · DOI: 10.1103/RevModPhys.93.025010
    → Avogadro, gas constant, molar volume (2019 SI revision)
  7. IUPAC (2019). Compendium of Chemical Terminology — the IUPAC Gold Book (online). IUPAC · DOI: 10.1351/goldbook
    → Definitions of mass fraction, molality, normality, ppm, activity
  8. Mills IM, Cvitaš T, Homann K, Kallay N, Kuchitsu K (1988). Quantities, Units and Symbols in Physical Chemistry. Blackwell Scientific Publications, 1st ed. · ISBN: 0-632-01773-5
    → Historical predecessor of IUPAC Green Book
🧪 Kreator przygotowania roztworu WIZARD MolGod_PREP_1
① Wybierz stężenie
② Objętość docelowa
③ Rozpuszczalnik

Obliczenia wg: IUPAC Gold Book ↗, Merck ↗

🛡️ Bezpieczeństwo — CAS 117-39-5MolGod_SAFEHUB_MAIN
Informacja o ograniczeniach danych. Informacje dotyczące bezpieczeństwa zawarte na tej stronie mają charakter informacyjny i nie zastępują pełnej karty charakterystyki (SDS). Przed użyciem produktu zapoznaj się z aktualną kartą charakterystyki producenta oraz wytycznymi GHS/CLP. Klasyfikacja CLP dotyczy czystej substancji bulk, nie preparatów handlowych.

Klasyfikacja GHS/CLP — Rozporządzenie (WE) nr 1272/2008 + UN GHS Rev. 9 (2021).

⚠️ Niebezpieczeństwo (Danger)
GHS06 — Toksyczne
GHS06 Toksyczne

🚨 Zwroty wskazujące rodzaj zagrożenia (H)

  • H301 — Działa toksycznie po połknięciu

🛡 Zwroty określające środki ostrożności (P)

  • P264 — Dokładnie umyć ręce po użyciu
  • P270 — Nie jeść, nie pić ani nie palić podczas używania produktu
  • P301+P310 — W PRZYPADKU POŁKNIĘCIA: Natychmiast skontaktować się z OŚRODKIEM ZATRUĆ lub lekarzem
  • P330 — Wypłukać usta
  • P501 — Zawartość/pojemnik usuwać do upoważnionego punktu zbierania odpadów

⚠ Klasyfikacja na podstawie konsensusu źródeł (PubChem / zgłoszenia dostawców) — nie zweryfikowano względem zharmonizowanej klasyfikacji w załączniku VI (CLP). Zakres zagrożeń może być szerszy niż klasyfikacja urzędowa; przed zastosowaniem zweryfikować z aktualną kartą charakterystyki dostawcy.

⚠ IARC — Grupa 3: nieklasyfikowalny pod względem rakotwórczości (oceniony przez IARC). (Niezależna ocena dowodów rakotwórczości IARC/WHO — uzupełnia klasyfikację CLP powyżej.)
Referencja (Chicago): IARC. n.d. IARC Monographs on the Identification of Carcinogenic Hazards to Humans: CAS 117-39-5. Lyon, France: International Agency for Research on Cancer, World Health Organization. https://monographs.iarc.who.int/list-of-classifications/.
Klasyfikacja z lokalnego wykazu MOL-GOD (snapshot) — niezweryfikowana względem bieżącej listy IARC. Zweryfikuj

Tłumaczenia: Rozporządzenie CLP (WE) 1272/2008, Załącznik III i IV. Dane: PubChem/NLM.

📚 Skonsolidowane referencje naukowe — Chicago Author-Date 10 źródeł

Referencje zebrane ze wszystkich zakładek Safety Hub. CAS: 117-39-5 · PubChem ↗

  1. Parlament Europejski i Rada UE. 2008. "Rozporządzenie (WE) nr 1272/2008 w sprawie klasyfikacji, oznakowania i pakowania substancji (CLP)." Dz.Urz. UE L 353. [↗] GHS, Regulacje
  2. United Nations Economic Commission for Europe (UNECE). 2021. "Globally Harmonized System of Classification and Labelling of Chemicals (GHS), Ninth Revised Edition." United Nations, Geneva. [↗] GHS
  3. Goldfrank, Lewis R., Robert S. Hoffman, Mary Ann Howland, et al.. 2019. "Goldfrank's Toxicologic Emergencies, 11th ed.." McGraw-Hill Education, New York. ISBN 978-1-25-985961-8. Pierwsza pomoc, Toksykologia
  4. National Institute for Occupational Safety and Health (NIOSH). 2023. "NIOSH Pocket Guide to Chemical Hazards (DHHS Publ. 2005-149)." U.S. Department of Health and Human Services / CDC, Cincinnati, OH. [↗] Pierwsza pomoc, PPE, Toksykologia
  5. European Committee for Standardization (CEN). 2016. "EN 374-1:2016 — Protective gloves against dangerous chemicals and micro-organisms." CEN, Brussels. [↗] PPE
  6. UNECE. 2023. "European Agreement Concerning the International Carriage of Dangerous Goods by Road (ADR 2025)." United Nations, Geneva. [↗] Utylizacja, Regulacje
  7. National Fire Protection Association (NFPA). 2022. "NFPA 400 — Hazardous Materials Code." NFPA, Quincy, MA. [↗] Magazynowanie
  8. Urben, P.G. (ed.). 2017. "Bretherick's Handbook of Reactive Chemical Hazards, 8th ed.." Butterworth-Heinemann / Elsevier, Oxford. [↗] Magazynowanie
  9. Ministerstwo Klimatu i Środowiska RP. 2023. "Baza danych o produktach i opakowaniach oraz o gospodarce odpadami (BDO)." Ministerstwo Klimatu i Środowiska, Warszawa. [↗] Utylizacja
  10. International Agency for Research on Cancer (IARC / WHO). 2024. "IARC Monographs on the Identification of Carcinogenic Hazards to Humans — List of Classifications." WHO, Lyon. [↗] Toksykologia

Zakładki z własnymi referencjami (Emergency, PPE, Storage, Waste) zawierają dodatkowe pozycje bibliograficzne wewnątrz swoich sekcji.

📈 Statystyka analityczna (t-test · RSD · Grubbs · Q-Dixon) ICH Q2

Wklej serię powtórzeń pomiarów (CSV lub po jednej liczbie w linii). Kalkulator policzy średnią, odchylenie, 95% CI, wykryje outliery (Grubbs + Dixon Q).

Separator: przecinek, spacja, tab, nowa linia. Min 3 pomiary.
📐 Formuły statystyczne
  • x̄ = Σxᵢ / n — średnia arytmetyczna
  • s² = Σ(xᵢ - x̄)² / (n-1) — wariancja próby
  • s = √s² — odchylenie standardowe
  • RSD% = (s / x̄) × 100% — względne odchylenie
  • CI₉₅ = x̄ ± t(0.05, n-1) × s / √n — Student's t
  • G = |xᵢ - x̄| / s — test Grubbsa
  • Q = |xsuspect - xnearest| / |xmax - xmin| — Dixon Q-test

Źródło: ICH Q2(R2) Validation of Analytical Procedures · ICH PDF ↗

🧪 Kalkulator receptur buforów UNIKALNE

Wybierz bufor z listy 20 popularnych systemów → wprowadź docelowe pH → otrzymasz dokładny przepis z masami do odważenia.

Krok 1: Wybierz system buforowy

📜 Historia przepisów (ostatnie 10)
🚚 Klasyfikacja transportowa (ADR / IATA / IMDG)

UN 2811 — zweryfikuj klasę transportową w ADR 2025 (Tabela A). Sekcja 14 karty podaje numer UN, ale bez potwierdzonej klasy ADR.

Źródło: Karta SDS sek.14 (UN bez potwierdzonej klasy)
📊 Walidacja metody HPLC (ICH Q2(R1)) PARTIAL

3 of 3 critical metrics need experimental data

Parametr Wartość Jednostka Kryterium ICH Q2 Status
Linearność (R²) brak danych unitless R² ≥ 0.999 (≥0.99 dla bioanalitycznej)
LOD (S/N = 3:1) brak danych ng/mL S/N ≥ 3:1 (najniższe wykrywalne stężenie)
LOQ (S/N = 10:1) brak danych ng/mL S/N ≥ 10:1 (LOQ ≥ 3×LOD typowo)
Precyzja (RSD intraday, n=6) brak danych % RSD RSD ≤ 2% (intraday) / ≤ 3% (interday) dla API
Dokładność (recovery, 3 poziomy) brak danych % (target 100±2%) Recovery 98-102% (target 100%)
Zakres liniowości brak danych np. 0.1-100 ng/mL Min. 80-120% nominalnego stężenia
Selektywność/Specyficzność brak danych qualitative Brak interferencji — pik analitu w pełni rozdzielony (Rs ≥ 2.0)
Odporność (robustness) brak danych RSD < 2% przy ±5% wariacji RSD < 2% przy małych wariacjach parametrów
Legenda: ✓ PASS ⚠ CAUTION ✗ FAIL — NO_DATA
📚 Naukowe referencje (Chicago Author-Date) — kliknij aby rozwinąć

Standardy walidacji metod analitycznych — 4 niezależne źródła (ICH + USP + AOAC + Snyder).

  1. International Conference on Harmonisation (ICH). 2005. Validation of Analytical Procedures: Text and Methodology Q2(R1). ICH Expert Working Group. [link ↗] — Gold-standard ICH guideline — accepted by EMA, FDA, MHLW, NMPA
  2. United States Pharmacopeia (USP) Convention. 2024. USP General Chapter <621> Chromatography. USP-NF 2024 ed. USP. [link ↗]
  3. AOAC International. 2016. Appendix F: Guidelines for Standard Method Performance Requirements. AOAC INTERNATIONAL. [link ↗] — AOAC SMPR — alternative to ICH Q2 for food/dietary supplements
  4. Snyder, Lloyd R., Joseph J. Kirkland, and John W. Dolan. 2010. Introduction to Modern Liquid Chromatography. 3rd ed. John Wiley & Sons. ISBN 978-0-470-16754-0. https://doi.org/10.1002/9780470508183 [link ↗] — Industry standard textbook — Chapter 11 covers method validation
  5. Snyder, L. R., J. J. Kirkland, and J. L. Glajch. 1997. Practical HPLC Method Development. 2nd ed. Wiley. ISBN 978-0-471-00703-6. — Classic method-development reference (DryLab heritage).
  6. Rozet, Eric, et al.. 2013. Analysis of recent pharmaceutical regulatory documents on analytical method validation. https://doi.org/10.1016/j.chroma.2007.03.111 [link ↗] — Comparison of FDA / EMA / ICH validation expectations — used for ICH Q2(R1) interpretation.
  7. Heyden, Yvan Vander, et al.. 2009. Robustness of pharmaceutical liquid chromatographic methods. https://doi.org/10.1016/j.jchromb.2008.10.052 [link ↗] — Plackett-Burman design for robustness — basis of ICH Q2 §3.7.
  8. Dong, Michael W.. 2019. HPLC and UHPLC for Practicing Scientists. 2nd ed. Wiley. ISBN 978-1-119-31378-3. https://doi.org/10.1002/9781119313793 [link ↗] — Modern (UHPLC) update of validation chapter — practical RSD/LOD examples.
  9. Meyer, Veronika R.. 2010. Practical High-Performance Liquid Chromatography. 5th ed. Wiley. ISBN 978-0-470-68218-0. — European pharmacopeial perspective — complements USP/AOAC.
  10. Kazakevich, Yuri V., and Rosario LoBrutto, eds.. 2007. HPLC for Pharmaceutical Scientists. Wiley-Interscience. ISBN 978-0-471-68162-4. https://doi.org/10.1002/9780470087954 [link ↗] — Pharma-focused validation case studies (specificity, robustness).
  11. European Medicines Agency (EMA). 2011. Guideline on bioanalytical method validation EMEA/CHMP/EWP/192217/2009. EMA Committee for Medicinal Products for Human Use. [link ↗] — EMA bioanalytical companion to ICH Q2(R1) for clinical samples.

· ⚠ Ostrzeżenia regulacyjne SVHC/REACH ↑

🔧 Troubleshooting HPLC — drzewo decyzyjne 6 typowych problemów

Diagnostyka 6 najczęstszych problemów HPLC z drzewem decyzyjnym (5 kroków per problem). Źródło: Snyder/Kirkland/Dolan 3rd ed. Chapter 17 + LCGC LC Troubleshooting columns 1989-2024.

Poszerzone piki (broad peaks) medium

Objaw: Wszystkie piki na chromatogramie są szersze niż oczekiwane (FWHM > 2× normy)

🔍 Drzewo diagnostyczne:
  1. 1. Sprawdź czy wszystkie piki są poszerzone czy tylko niektóre
    → TAK: Wszystkie → problem instrumentalny (kolumna lub system)
    → NIE: Tylko niektóre → problem chemii (interakcja z kolumną dla konkretnych analitów)
  2. 2. Wymień kolumnę testową — czy problem znika?
    → TAK: KOLUMNA zużyta — packing zniszczony, void w pierwszych mm. Wymień.
    → NIE: Problem w systemie LC
  3. 3. Sprawdź volume martwy (dead volume) — pętla injekcyjna, połączenia, detektor
    → TAK: Pętla > 100 µL dla 4.6 mm kolumny lub luźne połączenia → wymień ferrules, krócej rurki
    → NIE: Continue diagnostyka
  4. 4. Test temperatury: zwiększ kolumnę z 25°C do 40°C
    → TAK: Piki węższe → kinetyka transferu masy zbyt wolna (zwiększ T)
    → NIE: Continue
  5. 5. Sprawdź flow rate vs optymalna van Deemter dla tej kolumny
    → TAK: Optimum dla 4.6mm/5µm = 1.0 mL/min, dla 2.1mm/3µm = 0.4 mL/min
    → NIE: Continue
⚠️ Typowe przyczyny:
  • Kolumna zużyta (>2000 injekcji bez guard)
  • Volume martwy systemu > 100 µL (zła pętla, długie rurki, luźne ferrules)
  • Temperatura zbyt niska (kinetyka transferu masy)
  • Flow rate poza optymalnym van Deemter
  • Próbka rozpuszczalnik silniejszy niż faza A
✓ Fixy:
  • ✓ Wymień kolumnę (gdy >2000 injekcji)
  • ✓ Sprawdź wszystkie połączenia — przewody jak najkrócej
  • ✓ Zwiększ T kolumny do 40°C (jeśli substancja stabilna)
  • ✓ Zmniejsz flow do optimum van Deemter
  • ✓ Rozpuść próbkę w fazie A (nie w pure organic)
Ogonowanie pików (tailing, T > 1.5) high

Objaw: Piki mają wydłużony "ogon" po stronie późnego eluowania (asymetria T = b/a > 1.5 wg USP)

🔍 Drzewo diagnostyczne:
  1. 1. Czy substancja zawiera grupy zasadowe (amino, pirydyna)?
    → TAK: Tak → silanowe interakcje! Dodaj 0.1% TFA lub 5-10 mM TEA do fazy A.
    → NIE: Continue
  2. 2. Sprawdź pH fazy mobilnej vs pKa substancji
    → TAK: pH = pKa ± 1 → częściowa jonizacja, peak split. Idź pH ≥ 2 jednostki od pKa.
    → NIE: Continue
  3. 3. Sprawdź wiek kolumny (>1500 injekcji?)
    → TAK: Tak → silanole odsłonięte (column bleed). Wymień kolumnę z higher endcapping (XTerra, Symmetry).
    → NIE: Continue
  4. 4. Czy próbka zawiera metale (Fe, Cu z fiolek szklanych)?
    → TAK: Tak → użyj fiolek bezbarwnych typu II lub PFA. EDTA 0.1mM do próbki.
    → NIE: Continue
⚠️ Typowe przyczyny:
  • Silanowe interakcje (zasadowy analit + silikażel free silanols)
  • pH na granicy pKa analitu (peak split)
  • Stara kolumna (column bleed, high silanol activity)
  • Metale w próbce (chelatacja → tailing)
  • Overload kolumny (>50 µg na 4.6mm column)
✓ Fixy:
  • ✓ Dodaj 0.1% TFA (UV) lub 0.1% formic acid (LC-MS) do fazy A
  • ✓ Wybierz kolumnę z high-purity endcapping: Waters XBridge BEH, Phenomenex Kinetex
  • ✓ Pracuj pH ≥ 2 jednostki od pKa
  • ✓ EDTA 0.1mM do próbki (chelatacja Fe/Cu)
  • ✓ Zmniejsz objętość injekcji ≤ 20 µL dla 4.6mm column
Dryf linii bazowej (baseline drift) medium

Objaw: Linia bazowa systematycznie rośnie lub maleje przez >5 minut

🔍 Drzewo diagnostyczne:
  1. 1. Czy używasz gradientu (B% rośnie)?
    → TAK: Tak → różny absorption faz A vs B przy dλ. Solvent change UV-cutoff. Sprawdź % organic UV-absorbance.
    → NIE: Continue (isokratyczny)
  2. 2. Sprawdź temperaturę kolumny — czy stabilna ±0.5°C?
    → TAK: Tak (stabilna) → continue
    → NIE: Niestabilna → włącz column thermostat (>25°C kontrolowane)
  3. 3. Test: wyłącz autosampler, jedź sam pump+kolumna+detektor
    → TAK: Drift znika → autosampler kontaminacja (czyszczenie igły, septum)
    → NIE: Continue
  4. 4. Sprawdź wiek lampy (D2 dla UV)
    → TAK: Tak (>1500 godzin) → wymień lampę
    → NIE: Continue
⚠️ Typowe przyczyny:
  • Gradient elution z różnym UV-cutoff faz
  • Niestabilna T kolumny
  • Autosampler kontaminacja igły/septum
  • Lampa UV stara (>1500h)
  • Detektor flow cell zabrudzona
  • Kolumna nie ekwilibrowana (<10 column volumes)
✓ Fixy:
  • ✓ Pre-equilibrate kolumnę 10-15 column volumes przy 100% A
  • ✓ Termostat kolumny on, T 30-40°C stabilne
  • ✓ Czyść flow cell detector roztworem 50:50 ACN:H2O
  • ✓ Wymień lampę D2 jeśli >1500h
  • ✓ Użyj baseline subtraction (chromeleon, Empower native function)
Brak piku / utracony pik (no peak) critical

Objaw: Spodziewany pik analitu nie pojawia się na chromatogramie

🔍 Drzewo diagnostyczne:
  1. 1. Czy injekcja faktycznie się wykonała?
    → TAK: Sprawdź log autosamplera, ciśnienie pump (powinno spadać przy injekcji)
    → NIE: Autosampler problem → sprawdź pętlę, igłę, próbkę w fiolce
  2. 2. Czy próbka jest w fiolce (objętość prawidłowa, nie wypiła)?
    → TAK: Continue
    → NIE: Brak próbki — re-pipetuj
  3. 3. Stabilność próbki — przygotowana >24h temu?
    → TAK: Tak → degradacja. Re-prepare świeżą próbkę.
    → NIE: Continue
  4. 4. Sprawdź długość fali detekcji vs λmax substancji
    → TAK: Detekcja przy λ NIE odpowiada λmax → brak sygnału. Skanuj DAD 200-400nm.
    → NIE: Continue
  5. 5. Test: injekcj pure standard (znanego stężenia, świeży)
    → TAK: Standard daje pik → problem z próbką (matryca, derywatyzacja)
    → NIE: Brak piku też ze standardem → problem systemu (kolumna, faza, gradient)
⚠️ Typowe przyczyny:
  • Próbka nie wzięta z fiolki (autosampler bug)
  • Próbka zdegradowana (>24h pH/temp/światło)
  • Detekcja przy złej długości fali
  • Faza ruchoma zła (np. zapomniany TFA)
  • Kolumna odwrócona / niewłaściwa faza stacjonarna
  • Substancja eluuje z front (V0) → niezatrzymywana, niewidoczna
✓ Fixy:
  • ✓ Re-prepare świeżą próbkę z exact protocolu
  • ✓ Skan UV-Vis DAD 200-400nm + szukanie λmax
  • ✓ Sprawdź skład fazy mobilnej — TFA dodany?
  • ✓ Test reverse direction kolumny (ostrożnie!)
  • ✓ Dla retention <1 min — zmień % B do niższego, MeOH instead of ACN
  • ✓ Sprawdź oczekiwany czas retencji w bazie metod wtyczki
Ciśnienie zbyt wysokie (pressure too high) critical

Objaw: Ciśnienie pomp > 80% maxa kolumny lub system shutdown z high-pressure error

🔍 Drzewo diagnostyczne:
  1. 1. Sprawdź czy kolumna jest podłączona prawidłowo (kierunek strzałki)
    → TAK: OK
    → NIE: Kolumna odwrócona → odwróć (nigdy nie pracować "do tyłu")
  2. 2. Test: wyłącz kolumnę z systemu, jedź sam pump+detektor
    → TAK: Ciśnienie spada do <50 bar → problem w kolumnie (zatkana)
    → NIE: Ciśnienie pozostaje wysokie → in-line filter zatkany, frit zabrudzony
  3. 3. Sprawdź pre-column filter (in-line frit)
    → TAK: Zabrudzony brunatny → wymień
    → NIE: Continue
  4. 4. Wstecz wymyj kolumnę 50:50 ACN:H2O bez kolumny — czy znika?
    → TAK: Particles stuck w pierwszym mm — flush 30 min może odzyskać
    → NIE: Wymień kolumnę
⚠️ Typowe przyczyny:
  • In-line filter (frit) zatkany cząstkami
  • Buffer salt out (precipitation w wysokim %B)
  • Próbka zawiera zawiesinę (filtruj 0.22 µm przed injekcją)
  • Kolumna zatkana (column bed compaction)
  • Gradient z fazą buffer + dużo organic → salt precipitation
✓ Fixy:
  • ✓ ZAWSZE filtruj próbkę 0.22 µm PVDF przed injekcją
  • ✓ Wymień in-line filter co 100 injekcji (lub gdy ciśnienie wzrasta >20%)
  • ✓ NIE używaj >20mM phosphate buffer + >70% ACN (sól wytrąca)
  • ✓ Flush kolumnę 30 min 50:50 ACN:H2O w odwrotnym kierunku (gdy producent dopuszcza)
  • ✓ Pre-column 4×3mm dla ochrony main column
Piki widmowe (ghost peaks) high

Objaw: Niewyjaśnione piki na chromatogramie nieobecne w kalibracji

🔍 Drzewo diagnostyczne:
  1. 1. Test: blank injection (czysty rozp. próbki)
    → TAK: Pojawia się ghost → kontaminacja systemu lub eluentów
    → NIE: Pojawia się tylko z próbką → matryca
  2. 2. Czy ghost rośnie z gradientem (eluuje przy wysokim %B)?
    → TAK: Tak → zatłoczona kolumna lub strong-retained from previous run
    → NIE: Niezależny od gradientu → autosampler carryover
  3. 3. Increase carryover wash (between injections)
    → TAK: Pomaga → carryover był winny. Mocniejszy wash protocol.
    → NIE: Continue
  4. 4. Pure water injection — czy jest pik?
    → TAK: Tak → kontaminacja water source (organic z systemu DI)
    → NIE: Continue
⚠️ Typowe przyczyny:
  • Carryover w autosampler igle/pętli
  • Kontaminacja eluentu (nawet HPLC-grade)
  • Strong-retained components z poprzednich biegów
  • Plastik w fiolkach (phthalates, PEG z kapturków)
  • Water DI niedoczyszczone
✓ Fixy:
  • ✓ Wzmocnij wash protocol: 100% B → 100% A → 50:50 (3 cycles)
  • ✓ Strong wash: DMSO 100% lub MeOH 100% przed kalibracją
  • ✓ Filtruj eluenty 0.22 µm PTFE w razie wątpliwości
  • ✓ Używaj amber glass + Teflon-line caps dla próbek
  • ✓ Periodic gradient ramp do 100% B przez 10 min (clean-out)
📚 Naukowe referencje (Chicago Author-Date) — kliknij aby rozwinąć
  1. Snyder, Lloyd R., Joseph J. Kirkland, and John W. Dolan. 2010. Introduction to Modern Liquid Chromatography. 3rd ed. John Wiley & Sons. Chapter 17 (Troubleshooting) pp. 559-616. ISBN 978-0-470-16754-0. https://doi.org/10.1002/9780470508183 [link ↗]
  2. Dolan, John W.. 2014. LC Troubleshooting (monthly column 1989-2024). LCGC North America. [link ↗] — John Dolan 35-letnia seria miesięcznych artykułów problemowych
  3. Kromidas, Stavros. 2017. HPLC Made to Measure: A Practical Handbook for Optimization. 2nd ed. Wiley-VCH. ISBN 978-3-527-31377-1. — Praktyczny przewodnik problem-solving dla labs analitycznych
  4. Dolan, John W.. 2013. When to Modify Method Conditions. 192-199. [link ↗] — Decision flow for changing flow rate / temperature / %B vs swapping columns.
  5. Dong, Michael W.. 2019. HPLC and UHPLC for Practicing Scientists. 2nd ed. Wiley. ISBN 978-1-119-31378-3. https://doi.org/10.1002/9781119313793 [link ↗] — Chapter 9 covers troubleshooting modern UHPLC systems (sub-2 µm particles).
  6. Meyer, Veronika R.. 2010. Practical High-Performance Liquid Chromatography. 5th ed. Wiley. ISBN 978-0-470-68218-0. — Solid step-by-step problem isolation chapter (eluents, columns, instruments).
  7. Snyder, L. R., J. J. Kirkland, and J. L. Glajch. 1997. Practical HPLC Method Development. 2nd ed. Wiley. ISBN 978-0-471-00703-6. — Method-development companion volume with troubleshooting cross-refs.
  8. Carr, Peter W.. 2009. The new physical chemistry of HPLC. 1764-1772. https://doi.org/10.1016/j.chroma.2008.11.094 [link ↗] — Theoretical basis for diagnosing efficiency losses (mass-transfer, eddy diffusion).
  9. Heyden, Yvan Vander, et al.. 2009. Robustness of pharmaceutical liquid chromatographic methods. 2120-2129. https://doi.org/10.1016/j.jchromb.2008.10.052 [link ↗] — How to diagnose method failures vs. system failures (Plackett-Burman).
  10. Engelhardt, Heinz. 2014. 100 Years of Chromatography. 2nd ed. Wiley-VCH. ISBN 978-3-527-33473-5. — Historical context for ghost-peak phenomenology (silica chemistry).
🧪 Rozpuszczalność i kompatybilność z solwentami MolGod_SOLUB_1
Molekuła
Quercetin
Wzór
C15H10O7
logP (XLogP3)
1.50
Masa (g/mol)
302.23
Polarność
Umiarkowana

⚠️ Estymacja GC (Hoftyzer-Van Krevelen). Brak danych literaturowych HSP dla tego CAS — precyzja ±2 MPa½. Weryfikuj eksperymentalnie.

Ra < R₀ = dobra mieszalność · Ra < 1,5×R₀ = graniczna · powyżej = słaba (R₀ — promień sfery Hansena tej molekuły) Dla tej molekuły R₀ = 8.

Solwent Kompat. Ra Wizual GC-MS HPLC Zastosowania Referencje
Water (H₂O)0.06 g/L (pomiar)
✗ NieA (aqueous) (RP)
buforhodowla komórkowaanalitycznyekstrakcja (hydrofilna)
Ethanol (EtOH)brak podstawy✗ NieA/B modifier (RP/NP)
ekstrakcjaspektroskopia (UV-Vis)syntezamodyfikator HPLC
Methanol (MeOH)brak podstawy✗ NieA/B (RP) (RP)
HPLC (eluent)LC-MSKarl FischerUV-transparent do 205 nm
Acetonebrak podstawy✗ NieB modifier (NP)
GC headspacekrystalizacjaodtłuszczaniesynteza
Acetonitrile (ACN)brak podstawy✗ NieB (RP) (RP)
eluent HPLC (złoty standard)LC-MS (wolny cut-off UV 190 nm)analiza peptydów
DMSObrak podstawy✗ NieN/A (N/A)
NMR (d6-DMSO)biologia komórkowa (krioprezerwacja)dostarczanie lekówsynteza
THFbrak podstawy✗ NieB (NP) (NP)
GPC/SEC (analiza polimerów)synteza Grignardametaloorganiczne
DCM (CH₂Cl₂)brak podstawy✓ TakB (NP) (NP)
ekstrakcjaNP-HPLCGC-MSkrystalizacja (anty-solwent)
Chloroform (CHCl₃)brak podstawy✓ TakN/A (toxic) (N/A)
NMR (CDCl3)ekstrakcja lipidów (metoda Folcha)NP-TLC
Hexanebrak podstawy✓ TakA (NP) (NP)
NP-HPLCekstrakcja olejów (lipidy)GC-MSTLC (NP)
Toluenebrak podstawy✓ TakB (NP) (NP)
NMR (d8-toluene)syntezasuszenie azeotropowe Dean-Stark
📚 Naukowe referencje dla solwentów (Chicago Author-Date) — kliknij aby rozwinąć

11 solwentów · 54 pełnych cytowań (NIST/CRC/IARC/Hansen/Reichardt/Smallwood/Wypych/Armarego/Snyder/GESTIS) — poniżej.

Water (H₂O)
  1. NIST — NIST Chemistry WebBook — Water (CAS 7732-18-5)
  2. CRC — CRC Handbook of Chemistry and Physics, 104th ed., Sec. 8 (Properties of Water)
  3. IAPWS — IAPWS Release on Static Dielectric Constant of Water
  4. Reichardt 2011 — Solvents and Solvent Effects in Organic Chemistry
  5. GESTIS — GESTIS Substance Database — Water
Ethanol (EtOH)
  1. NIST — NIST Chemistry WebBook — Ethanol (CAS 64-17-5)
  2. CRC — CRC Handbook — Ethanol physical constants
  3. Snyder & Kirkland — Modern Liquid Chromatography — Ethanol eluotropic
  4. Smallwood — Handbook of Organic Solvent Properties — Ethanol
  5. GESTIS — GESTIS Substance Database — Ethanol
Methanol (MeOH)
  1. NIST — NIST Chemistry WebBook — Methanol (CAS 67-56-1)
  2. CRC — CRC Handbook — Methanol physical constants
  3. Snyder & Kirkland — Modern Liquid Chromatography — MeOH eluotropic, eo=0.95
  4. GESTIS — GESTIS Substance Database — Methanol
Acetone
  1. NIST — NIST Chemistry WebBook — Acetone (CAS 67-64-1)
  2. CRC — CRC Handbook — Acetone physical & thermodynamic constants
  3. Hansen 2007 — Hansen Solubility Parameters — Acetone (dD=15.5, dP=10.4, dH=7.0)
  4. Smallwood — Handbook of Organic Solvent Properties — Acetone
  5. GESTIS — GESTIS Substance Database — Acetone
Acetonitrile (ACN)
  1. NIST — NIST Chemistry WebBook — Acetonitrile (CAS 75-05-8)
  2. CRC — CRC Handbook — Acetonitrile constants
  3. Snyder & Kirkland — Modern Liquid Chromatography — ACN gold-standard HPLC eluent
  4. Reichardt 2011 — Solvents and Solvent Effects — ACN dipolar aprotic
  5. GESTIS — GESTIS Substance Database — Acetonitrile
DMSO
  1. NIST — NIST Chemistry WebBook — DMSO (CAS 67-68-5)
  2. Wypych 2019 — Handbook of Solvents Vol. 1 — DMSO comprehensive properties
  3. Hansen 2007 — HSP — DMSO (dD=18.4, dP=16.4, dH=10.2)
  4. Reichardt 2011 — Solvents and Solvent Effects — DMSO E_T(30)=45.1, dipolar aprotic
  5. GESTIS — GESTIS Substance Database — DMSO
THF
  1. NIST — NIST Chemistry WebBook — THF (CAS 109-99-9)
  2. Armarego 2009 — Purification of Laboratory Chemicals — THF drying & peroxide test
  3. Hansen 2007 — Hansen Solubility Parameters — THF (dD=16.8, dP=5.7, dH=8.0)
  4. Smallwood — Handbook of Organic Solvent Properties — THF
  5. GESTIS — GESTIS Substance Database — Tetrahydrofuran
DCM (CH₂Cl₂)
  1. NIST — NIST Chemistry WebBook — Dichloromethane (CAS 75-09-2)
  2. IARC 71 — IARC Monograph 71 — DCM (Group 2A carcinogen)
  3. Hansen 2007 — Hansen Solubility Parameters — DCM (dD=18.2, dP=6.3, dH=6.1)
  4. Reichardt 2011 — Solvents and Solvent Effects — DCM polarity index
  5. GESTIS — GESTIS Substance Database — Dichloromethane
Chloroform (CHCl₃)
  1. NIST — NIST Chemistry WebBook — Chloroform (CAS 67-66-3)
  2. IARC 73 — IARC Monograph 73 — Chloroform (Group 2B carcinogen)
  3. Hansen 2007 — Hansen Solubility Parameters — CHCl3 (dD=17.8, dP=3.1, dH=5.7)
  4. Reichardt 2011 — Solvents and Solvent Effects — CHCl3 H-bond donor strength
  5. GESTIS — GESTIS Substance Database — Chloroform
n-Hexane
  1. NIST — NIST Chemistry WebBook — n-Hexane (CAS 110-54-3)
  2. ATSDR n-Hexane — ATSDR Toxicological Profile for n-Hexane — neuropatia obwodowa (n-Heksan NIE jest kancerogenem IARC)
  3. Hansen 2007 — Hansen Solubility Parameters — n-Hexane (dD=14.9, dP=0, dH=0)
  4. Snyder & Kirkland — Modern Liquid Chromatography — n-Hexane NP standard, eo=0.00
  5. GESTIS — GESTIS Substance Database — n-Hexane
Toluene
  1. NIST — NIST Chemistry WebBook — Toluene (CAS 108-88-3)
  2. IARC 71 — IARC Monograph 71 — Toluene
  3. Hansen 2007 — Hansen Solubility Parameters — Toluene (dD=18.0, dP=1.4, dH=2.0)
  4. Smallwood — Handbook of Organic Solvent Properties — Toluene
  5. GESTIS — GESTIS Substance Database — Toluene
Teoria rozpuszczalności (zastosowane w przewidywaniu kompatybilności):
  1. Yalkowsky, Samuel H., and Shri C. Valvani. 1980. "Solubility and Partitioning I: Solubility of Nonelectrolytes in Water." Journal of Pharmaceutical Sciences 69 (8): 912–922. https://doi.org/10.1002/jps.2600690814 — General Solubility Equation (GSE): logS = 0.5 − logP − 0.01(MP−25).
  2. Hansen, Charles M. 2007. Hansen Solubility Parameters: A User's Handbook. 2nd ed. CRC Press. https://doi.org/10.1201/9781420006834 — HSP triplet (dD, dP, dH) + wzór Ra.
  3. Stefanis, E., and C. Panayiotou. 2008. "Prediction of Hansen Solubility Parameters with a New Group-Contribution Method." Int J Thermophys 29: 568–585. https://doi.org/10.1007/s10765-008-0415-z
  4. Reichardt, Christian, and Thomas Welton. 2011. Solvents and Solvent Effects in Organic Chemistry. 4th ed. Wiley-VCH. https://doi.org/10.1002/9783527632220 — E_T(30) polarity scale, solwatochromia.
  5. Snyder, Lloyd R., Joseph J. Kirkland, and John W. Dolan. 2010. Introduction to Modern Liquid Chromatography. 3rd ed. Wiley. https://doi.org/10.1002/9780470508183 — Eluotropic series, polarity index.
  6. Van Krevelen, D. W., and K. Te Nijenhuis. 2009. Properties of Polymers. 4th ed. Elsevier. https://doi.org/10.1016/B978-0-08-054819-7.X0001-5 — Hoftyzer–Van Krevelen group contribution dla dD/dP/dH z SMILES.
  7. Marcus, Yizhak. 1998. The Properties of Solvents. Wiley Series in Solution Chemistry, Vol. 4. ISBN 9780471983699 — Kompletny tabularny zestaw 250+ rozpuszczalników (ε, μ, donicity, acceptor numbers).
  8. PubChem Compound Database — CAS 117-39-5 lookup ↗ — logP (XLogP3), water solubility experimental + predicted.

Kompletna bibliografia w akordeonie REFERENCJE (na dole strony) — Chicago Manual of Style 17th ed., Author-Date.

🧮 Kalkulatory laboratoryjne (8) MolGod_LABCALC_1
Rozcieńczenie (C₁V₁=C₂V₂)
Molarność (M=n/V)
pH Bufor (Henderson-Hasselbalch)
Beer-Lambert (A=εcl)
Masa → Mole
Stężenie % → M
ppm → mg/L
Temperatura C↔F↔K

Formuły zweryfikowane: IUPAC Gold Book ↗, DOI ↗

📊 Bazy widm spektroskopowych MolGod_SPECDB_3
📋 Generator protokołu laboratoryjnego MolGod_PROTOCOL_1

Protokół wygenerowany na podstawie: GHS SDS, Aldrich Lab Guide ↗

🏷️ Generator etykiety (QR) MolGod_LABEL_1
Kwercetyna• quercetin• CAS: 117-39-5• Wzór: C15H10O7• Masa: 302.23 g/molNIEBEZPIECZEŃSTWOZwroty wskazujące rodzaj zagrożenia (H):(zgłoszenia dostawców — samoklasyfikacja, niewiążące)H301: Działa toksycznie po połknięciuP301+P310 P330 P501 P264 P270WYŁĄCZNIE DO CELÓW LABORATORYJNYCH!DH ScientificScience first. Commerce as consequence.Nr partii: Masa netto: Data prod.:
Deskryptory Lipinskiego (struktura)

Wykres radarowy drug-likeness (Lipinski Ro5 / Veber). Strefa zielona = zgodność z kryteriami.

Dane predykcyjne — właściwości obliczone in silico (SMILES/RDKit). Nie zastępują badań klinicznych. Nie używaj do oceny leków bez weryfikacji eksperymentalnej.

MW302.2LogP1.5HBD5HBA7RotB1TPSA127 Ų
✓ Lipinski Ro5✓ Veber✓ Egan✓ Ghose✓ REOS✗ Lead-like Ro3 (MW=302, HBD=5, HBA=7)
WłaściwośćWartośćOcena
Wchłanianie (GI)wysokie
Przepuszczalność BBBnie
Biodostępność (Daina 2017)
55%
Profil CYP450CYP1A2 inhibitorCYP2C9 non-inhibitorCYP2C19 non-inhibitorCYP2D6 inhibitorCYP3A4 non-inhibitor
Alerty PAINS0
Alerty Brenka0
pKa (pH 7.4)10 (predicted)
hERG (kardiotoks.)✓ nie
P-gp substrat
Ames mutagenność✓ nie
DILI (wątrobok.)
LogS (rozp. wod.)
Źródła (metodologia ADMET)
  1. Lipinski, Christopher A., Franco Lombardo, Beryl W. Dominy, and Paul J. Feeney. 1997. "Experimental and computational approaches to estimate solubility and permeability in drug discovery and development settings." Advanced Drug Delivery Reviews 23 (1-3): 3-25.
  2. Veber, Daniel F., Stephen R. Johnson, Hung-Yuan Cheng, et al. 2002. "Molecular properties that influence the oral bioavailability of drug candidates." Journal of Medicinal Chemistry 45 (12): 2615-2623.
  3. Daina, Antoine, Olivier Michielin, and Vincent Zoete. 2017. "SwissADME: a free web tool to evaluate pharmacokinetics, drug-likeness and medicinal chemistry friendliness." Scientific Reports 7: 42717.
  4. Egan, William J., and Gregory Lauri. 2002. "Prediction of intestinal permeability." Advanced Drug Delivery Reviews 54 (3): 273-289.
  5. Baell, Jonathan B., and Georgina A. Holloway. 2010. "New substructure filters for removal of pan assay interference compounds (PAINS) from screening libraries." Journal of Medicinal Chemistry 53 (7): 2719-2740.
  6. Brenk, Ruth, Alessandro Schipani, Daniel James, et al. 2008. "Lessons learnt from assembling screening libraries for drug discovery for neglected diseases." ChemMedChem 3 (3): 435-444.
  7. Ertl, Peter, and Ansgar Schuffenhauer. 2009. "Estimation of synthetic accessibility score of drug-like molecules based on molecular complexity and fragment contributions." Journal of Cheminformatics 1: 8.
  8. Bickerton, G. Richard, Gaia V. Paolini, Jérémy Besnard, Sorel Muresan, and Andrew L. Hopkins. 2012. "Quantifying the Chemical Beauty of Drugs." Nature Chemistry 4 (2): 90-98.
  9. Hopkins, Andrew L., and Colin R. Groom. 2002. "The Druggable Genome." Nature Reviews Drug Discovery 1 (9): 727-730.
  10. Ghose, Arup K., Vellarkad N. Viswanadhan, and John J. Wendoloski. 1999. "A Knowledge-Based Approach in Designing Combinatorial or Medicinal Chemistry Libraries for Drug Discovery." Journal of Combinatorial Chemistry 1 (1): 55-68.
  11. Tice, Raymond R., Christopher P. Austin, Robert J. Kavlock, and John R. Bucher. 2013. "Improving the Human Hazard Characterization of Chemicals: A Tox21 Update." Environmental Health Perspectives 121 (7): 756-765.
  12. Leeson, Paul D., and Brian Springthorpe. 2007. "The Influence of Drug-Like Concepts on Decision-Making in Medicinal Chemistry." Nature Reviews Drug Discovery 6 (11): 881-890.
  13. Hann, Michael M. 2011. "Molecular Obesity, Potency and Other Addictions in Drug Discovery." MedChemComm 2 (5): 349-355.
  14. Davies, Mark, Michał Nowotka, George Papadatos, et al. 2015. "ChEMBL Web Services: Streamlining Access to Drug Discovery Data and Utilities." Nucleic Acids Research 43 (W1): W612-W620.
  15. Walters, W. Patrick, and Mark A. Murcko. 2002. "Prediction of 'Drug-Likeness.'". Advanced Drug Delivery Reviews 54 (3): 255–271. https://doi.org/10.1016/S0169-409X(02)00003-0.
  16. Congreve, Miles, Robin Carr, Christopher Murray, and Harren Jhoti. 2003. "A 'Rule of Three' for Fragment-Based Lead Discovery?" Drug Discovery Today 8 (19): 876–877. https://doi.org/10.1016/S1359-6446(03)02831-9.
  17. Brenk, Ruth, Alessandro Schipani, Daniel James, Agata Krasowski, Iain Hugh Gilbert, Julie Frearson, and Paul Graham Wyatt. 2008. "Lessons Learnt from Assembling Screening Libraries for Drug Discovery for Neglected Diseases." ChemMedChem 3 (3): 435-444.
  18. Schomburg, Karen T., Sascha Bietz, Hans Briem, Andrea M. Henzler, Stefan Urbaczek, and Matthias Rarey. 2014. "Facing the Challenges of Structure-Based Target Prediction by Inverse Virtual Screening." Journal of Chemical Information and Modeling 54 (6): 1676-1686.
  19. Bemis, Guy W., and Mark A. Murcko. 1996. "The Properties of Known Drugs. 1. Molecular Frameworks." Journal of Medicinal Chemistry 39 (15): 2887-2893.
  20. Schomburg, Karen T., and Matthias Rarey. 2014. "What Is the Potential of Structure-Based Target Prediction Methods?" Future Medicinal Chemistry 6 (17): 1987-1989.
  21. Feng, M; Zhou, X; Yang, T; Chen, Z. 2026. "Quercetin prevents age-related hearing loss in C57BL/6J mice by activating mitophagy and inhibiting the NLRP3 inflammasome." PloS one. https://doi.org/10.1371/journal.pone.0342423.
  22. Alves, ÉR; Silva, JGMD; Melo, IMF; Santos, LCDS. 2026. "Melatonin and Quercetin Co-Treatment Attenuates Hepatic Damage in Diabetic Rats by Mitigating Oxidative Stress and Inflammation." Journal of biochemical and molecular toxicology. https://doi.org/10.1002/jbt.70855.
  23. Jumriani, J; Aswad, M; Ratnawati, R; Filmaharani, F. 2026. "<i>In Vivo</i> and <i>In Silico</i> Analysis of Quercetin's Effects on Glycemic Regulation." Scientifica. https://doi.org/10.1155/sci5/5159975.
  24. Tang, Y; Jiang, YH; Wu, CY; Wang, GT. 2026. "Quercetin alleviates CCl<sub>4</sub>-induced liver fibrosis via regulating gut microbiota and the AGE-RAGE/PI3K/Akt signaling axis." Biochemistry and biophysics reports. https://doi.org/10.1016/j.bbrep.2026.102540.
  25. Zhao, L; Guo, B; Dong, X; Du, Y. 2026. "Targeting the Hedgehog Signaling Pathway in the Retina Using Quercetin-Loaded Lipid Nanoparticles for Myopia Control." Translational vision science & technology. https://doi.org/10.1167/tvst.15.4.3.
  26. Shen, D; Kong, W; Qiu, H; Yuan, H. 2026. "Quercetin Alleviates Cerebral Ischemia-Induced Neuroinflammation by Inhibiting Microglia-Mediated NLRP3/Caspase-1/GSDMD Pathway." Cells. https://doi.org/10.3390/cells15060552.
  27. Bai, H; Xu, Y; Zhao, B; Qin, X. 2026. "The mechanisms of myricetin and quercetin in regulating miRNA-140 and MMP/TIMP signaling pathway in osteoarthritis treatment." Pakistan journal of pharmaceutical sciences. https://doi.org/10.36721/pjps.2026.39.8.226.1.
  28. Santos, I; Costa, VM; Carvalho, F; Fernandes, E. 2026. "Quercetin mitigates size-dependent oxidative and metabolic toxicity of citrate-coated silver nanoparticles in human erythrocytes." Archives of toxicology. https://doi.org/10.1007/s00204-026-04308-z.
  29. Liu, G; Kong, X; Zhao, Y; Cai, N. 2026. "Quercetin Ameliorates Comorbid Insomnia in Diarrhea-Predominant Irritable Bowel Syndrome via the PI3K/AKT/NF-κB Signaling Pathway." Biomedicines. https://doi.org/10.3390/biomedicines14030692.
  30. Zhang, L; Chen, Z; Yang, M; Sun, H. 2026. "Quercetin upregulates steroid hormone biosynthesis to enhance reproductive performance in roosters." Poultry science. https://doi.org/10.1016/j.psj.2026.106590.
  31. Wang, Z; Huang, J; Huang, D; An, R. 2026. "Quercetin suppresses the progression of HBV-associated hepatocellular carcinoma by modulating the EGFR signaling pathway." PloS one. https://doi.org/10.1371/journal.pone.0350584.
  32. Zhai, C; Wu, Q; Yang, X; Xie, Y. 2026. "Quercetin alleviates LPS-induced inflammatory response in dairy cow lamellar keratinocytes through PI3K/Akt/NF-κB signaling pathway." BMC veterinary research. https://doi.org/10.1186/s12917-026-05300-6.
  33. Naddafi, M; Udayabhaskararao, T. 2026. "Protective effects of rutin and quercetin against diazinon-induced toxicity in Wistar Rat Liver." Scientific reports. https://doi.org/10.1038/s41598-026-52967-w.
  34. Hong, L; Xia, S; Chen, N; Wang, Z. 2025. "Quercetin's regulation of glucose and lipid metabolism in gestational diabetes mellitus: role of the PCSK9/LDLR axis." Nutrition & metabolism. https://doi.org/10.1186/s12986-025-01048-2.
  35. Vásquez-Garzón VR, Velázquez-Enríquez JM, Santos-Álvarez JC et al.. (2025). "Quercetin in Idiopathic Pulmonary Fibrosis and Its Comorbidities: Gene Regulatory Mechanisms and Therapeutic Implications.". Genes. https://doi.org/10.3390/genes16080856
  36. (1992). "Toxicology and Carcinogenesis Studies of Quercetin (CAS No. 117-39-5) in F344 Rats (Feed Studies).".
  37. Liu, Si-Jia, Hu, Su-Qin, Chen, Yu-Cai, Guo, Jian. 2021. "Uncovering the mechanism of quercetin for treating spermatogenesis impairment by a network pharmacology approach." All Life 14 (1): 699-708. https://doi.org/10.1080/26895293.2021.1961878. [DOI ↗]
  38. Bolton, Evan E., Yanli Wang, Paul A. Thiessen, and Stephen H. Bryant. 2008. "PubChem: Integrated Platform of Small Molecules and Biological Activities." Annual Reports in Computational Chemistry 4: 217-241. [DOI ↗]
  39. Kim, Sunghwan, Jie Chen, Tiejun Cheng, et al. 2023. "PubChem 2023 update." Nucleic Acids Research 51 (D1): D1373-D1380. [DOI ↗]
  40. Kim, Sunghwan, Tiejun Cheng, Jianyong He, Chen Cheng, et al. 2021. "PubChem Protein, Pathway, Reaction, and Disease Specifications." Journal of Cheminformatics 13: 16. [DOI ↗]
  41. Hähnke, Volker D., Sunghwan Kim, and Evan E. Bolton. 2018. "PubChem chemical structure standardization." Journal of Cheminformatics 10: 36. [DOI ↗]
  42. Wang, Yanli, Stephen H. Bryant, Tiejun Cheng, Jiyao Wang, et al. 2017. "PubChem BioAssay: 2017 update." Nucleic Acids Research 45 (D1): D955-D963. [DOI ↗]
  43. Cheng, Tiejun, et al. 2014. "Computation of Octanol-Water Partition Coefficients by Guiding an Additive Model with Knowledge." Journal of Chemical Information and Modeling 54 (3): 793-805. [DOI ↗]
  44. 2020. "Lipoxygenase Inhibitory Constituents of the Fruits of Noni (Morinda citrifolia) Collected in Tahiti." https://doi.org/10.1021/NP0605539.S001. [DOI ↗]
  45. 2018. "Chemical constituents of Hypericum ssp." https://doi.org/10.1201/9781420023305-8. [DOI ↗]
  46. 2018. "Photographs of Moringa concanensis." https://doi.org/10.2307/J.CTT22728B6.4. [DOI ↗]
  47. Wilkinson, Mark D., et al. 2016. "The FAIR Guiding Principles for scientific data management and stewardship." Scientific Data 3: 160018. [DOI ↗]
  48. Hersey, Anne, et al. 2015. "Chemical databases: curation or integration by user-defined equivalence?" Drug Discovery Today: Technologies 14: 17-24.
  49. Veber, Daniel F., Stephen R. Johnson, Hung-Yuan Cheng, Brian R. Smith, Keith W. Ward, and Kenneth D. Kopple. 2002. "Molecular Properties That Influence the Oral Bioavailability of Drug Candidates." Journal of Medicinal Chemistry 45 (12): 2615-2623.
  50. ECHA. 2024. "REACH Guidance." European Chemicals Agency.
  51. Groom, Colin R., Ian J. Bruno, Matthew P. Lightfoot, and Suzanna C. Ward. 2016. "The Cambridge Structural Database." Acta Crystallographica Section B 72 (2): 171-179.
  52. Mohsen A. Hedaya. 2003. "Basic Pharmacokinetics." mohsen A. hedaya.
🧪 Asystent przygotowania roztworu (Smart Prep) MolGod_PREP_2

Wpisz co chcesz przygotować — wygeneruję SOP

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📚 Przegląd literatury naukowej — CAS 117-39-5MolGod_LITHUB_MAIN
⭐ Najważniejsze odkrycia (literatura naukowa) 3 publikacji
🏆 CAS 117-39-5 — multi-criteria ranking (W12): 30% cytowania · 20% recency · 20% topic · 15% historical · 15% open access.
  1. #1
    Han X; Xu T; Fang Q et al. (2021) · Redox biology
    Dlaczego ważne: Must-cite (kanon) · 398 cytowań
    SCORE 11.1 Mechanizm MUST-CITE Cytowań: 398 DOI ↗
  2. #2
    Vásquez-Garzón VR, Velázquez-Enríquez JM, Santos-Álvarez JC et al. (2025) · Genes
    Dlaczego ważne: Aktualna (2025) · przegląd · open access
    SCORE 7.05 Przegląd Open Access DOI ↗ PubMed ↗
  3. #3
    Toxicology and Carcinogenesis Studies of Quercetin (CAS No. 117-39-5) in F344 Rats (Feed Studies).
    (1992) · PubMed
    Dlaczego ważne: Wybrane przez multi-criteria score (citations + recency + topic + historical + OA).
    SCORE 4.56 Mechanizm Cytowań: 32
📈 Gradient HPLC — optymalizator (LSS) SZABLON

Gradient oparty na PubChem XLogP3 + LSS (Snyder et al. 2010, ch. 9).

  • Kolumna: C18
  • Bufor: phosphate
  • Przepływ: 1 mL/min
  • logP: 1.5 (PubChem XLogP3)
  • Rampa: 17% → 95% B, 15 min
  • Całkowity czas analizy: 28 min
t (min) %A %B flow (mL/min) Komentarz
0 83 17 1 start (równowaga)
2 83 17 1 koniec hold init
17 5 95 1 koniec rampy LSS
22 5 95 1 mycie kolumny
23 83 17 1 powrót do init
28 83 17 1 reekwilibracja
📚 Naukowe referencje (Chicago Author-Date)
  1. Snyder, Lloyd R., John W. Dolan, and Joseph J. Kirkland. 2010. Introduction to Modern Liquid Chromatography. Wiley. — Chapter 9 — gradient elution, LSS theory (cited as Snyder et al. 2010 in tool description).
  2. Schoenmakers, Peter J. 1986. Optimization of Chromatographic Selectivity: A Guide to Method Development. Elsevier. — Numerical optimization of gradient programs.
  3. Snyder, L. R., and J. W. Dolan. 2007. High-Performance Gradient Elution: The Practical Application of the Linear-Solvent-Strength Model. Wiley. — Foundational LSS reference for the %B_init = 5 + 8·logP heuristic implemented here.
  4. Nikitas, Pavlos, and Adrian Pappa-Louisi. 2009. "Retention models for isocratic and gradient elution in reversed-phase liquid chromatography." Journal of Chromatography A 1216: 1737-1755. [DOI ↗] — Modern review of gradient retention models — basis for non-LSS extensions.
  5. Carr, Peter W.. 2009. "The new physical chemistry of HPLC." Journal of Chromatography A 1216: 1764-1772. [DOI ↗]
  6. Dong, Michael W. 2019. HPLC and UHPLC for Practicing Scientists. Wiley. https://doi.org/10.1002/9781119313793. — Modern UHPLC gradient programming, sub-2 µm scaling rules.
  7. Wu, Naijun, and Anton M. Clausen. 2007. "Fundamental and practical aspects of ultrahigh pressure liquid chromatography for fast separations." Journal of Separation Science 30: 1167-1182. [DOI ↗]
  8. Stoll, Dwight R., and Peter W. Carr. 2017. "Two-Dimensional Liquid Chromatography: A State of the Art Tutorial." Analytical Chemistry 89: 519-531. [DOI ↗] — Reference for orthogonal gradient design (2D-LC second dimension).
  9. Dolan, John W.. 2013. "When to Modify Method Conditions." LCGC North America 31: 192-199.
  10. Meyer, Veronika R. 2010. Practical High-Performance Liquid Chromatography. Wiley. — Chapter 7 — practical gradient design with isokratyczny scouting.

REST: /wp-json/molgod/v1/hplc/gradient/117-39-5

🌈 Detektor + długość fali (UV/Vis) 370 nm
ZwiązekQuercetin
λmax370 nm
λmin255 nm
εmax (M⁻¹·cm⁻¹)21 000
Rozpuszczalnik (referencja)methanol
Sugerowana λ370 nm
Detektor zalecanyUV
AlternatywyPDA/DAD, MS, FLD

Źródło danych: Perkampus 1992

📚 Naukowe referencje (Chicago Author-Date) 26 refs · 3 baz

METODA Bibliografia metody

  1. Skoog, Douglas A., F. James Holler, and Stanley R. Crouch. 2017. "Principles of Instrumental Analysis." 7th ed. Cengage Learning. ISBN 978-1-305-57721-3.
  2. Perkampus, Heinz-Helmut. 1992. "UV-VIS Spectroscopy and Its Applications." Springer. ISBN 978-3-642-77479-9.
  3. Sadek, Paul C.. 2002. "The HPLC Solvent Guide." 2nd ed. Wiley-Interscience. ISBN 978-0-471-41138-4.
  4. Snyder, Lloyd R., Joseph J. Kirkland, and John W. Dolan. 2010. "Introduction to Modern Liquid Chromatography." 3rd ed. Wiley. ISBN 978-0-470-16754-0.
  5. Dong, Michael W.. 2019. "HPLC and UHPLC for Practicing Scientists." 2nd ed. Wiley. ISBN 978-1-119-31378-3.
  6. Meyer, Veronika R.. 2010. "Practical High-Performance Liquid Chromatography." 5th ed. Wiley. ISBN 978-0-470-68218-0.
  7. Stoll, Dwight R., and Peter W. Carr. 2017. "Two-Dimensional Liquid Chromatography: A State of the Art Tutorial." Analytical Chemistry 89: 519-531
  8. Vivó-Truyols, Gabriel, and Hans-Gerd Janssen. 2010. "Probabilistic approach to peak deconvolution in chromatography." Analytical Chemistry 82: 8525-8531
  9. Kazakevich, Yuri V., and Rosario LoBrutto, eds.. 2007. "HPLC for Pharmaceutical Scientists." Wiley-Interscience. ISBN 978-0-471-68162-4.
  10. Kim, Sunghwan, et al.. 2023. "PubChem 2023 update." Nucleic Acids Research 51: D1373-D1380

MOLEKUŁA Bibliografia per-CAS (live z 13+ baz)

Źródła: db:europepmc (14) · db:pubmed (1) · db:Europe PMC (1)

  1. db:europepmc Feng, M; Zhou, X; Yang, T; Chen, Z. 2026. "Quercetin prevents age-related hearing loss in C57BL/6J mice by activating mitophagy and inhibiting the NLRP3 inflammasome." PloS one. https://doi.org/10.1371/journal.pone.0342423.
  2. db:europepmc Alves, ÉR; Silva, JGMD; Melo, IMF; Santos, LCDS. 2026. "Melatonin and Quercetin Co-Treatment Attenuates Hepatic Damage in Diabetic Rats by Mitigating Oxidative Stress and Inflammation." Journal of biochemical and molecular toxicology. https://doi.org/10.1002/jbt.70855.
  3. db:europepmc Jumriani, J; Aswad, M; Ratnawati, R; Filmaharani, F. 2026. "<i>In Vivo</i> and <i>In Silico</i> Analysis of Quercetin's Effects on Glycemic Regulation." Scientifica. https://doi.org/10.1155/sci5/5159975.
  4. db:europepmc Tang, Y; Jiang, YH; Wu, CY; Wang, GT. 2026. "Quercetin alleviates CCl<sub>4</sub>-induced liver fibrosis via regulating gut microbiota and the AGE-RAGE/PI3K/Akt signaling axis." Biochemistry and biophysics reports. https://doi.org/10.1016/j.bbrep.2026.102540.
  5. db:europepmc Zhao, L; Guo, B; Dong, X; Du, Y. 2026. "Targeting the Hedgehog Signaling Pathway in the Retina Using Quercetin-Loaded Lipid Nanoparticles for Myopia Control." Translational vision science & technology. https://doi.org/10.1167/tvst.15.4.3.
  6. db:europepmc Shen, D; Kong, W; Qiu, H; Yuan, H. 2026. "Quercetin Alleviates Cerebral Ischemia-Induced Neuroinflammation by Inhibiting Microglia-Mediated NLRP3/Caspase-1/GSDMD Pathway." Cells. https://doi.org/10.3390/cells15060552.
  7. db:europepmc Bai, H; Xu, Y; Zhao, B; Qin, X. 2026. "The mechanisms of myricetin and quercetin in regulating miRNA-140 and MMP/TIMP signaling pathway in osteoarthritis treatment." Pakistan journal of pharmaceutical sciences. https://doi.org/10.36721/pjps.2026.39.8.226.1.
  8. db:europepmc Santos, I; Costa, VM; Carvalho, F; Fernandes, E. 2026. "Quercetin mitigates size-dependent oxidative and metabolic toxicity of citrate-coated silver nanoparticles in human erythrocytes." Archives of toxicology. https://doi.org/10.1007/s00204-026-04308-z.
  9. db:europepmc Liu, G; Kong, X; Zhao, Y; Cai, N. 2026. "Quercetin Ameliorates Comorbid Insomnia in Diarrhea-Predominant Irritable Bowel Syndrome via the PI3K/AKT/NF-κB Signaling Pathway." Biomedicines. https://doi.org/10.3390/biomedicines14030692.
  10. db:europepmc Zhang, L; Chen, Z; Yang, M; Sun, H. 2026. "Quercetin upregulates steroid hormone biosynthesis to enhance reproductive performance in roosters." Poultry science. https://doi.org/10.1016/j.psj.2026.106590.
  11. db:europepmc Wang, Z; Huang, J; Huang, D; An, R. 2026. "Quercetin suppresses the progression of HBV-associated hepatocellular carcinoma by modulating the EGFR signaling pathway." PloS one. https://doi.org/10.1371/journal.pone.0350584.
  12. db:europepmc Zhai, C; Wu, Q; Yang, X; Xie, Y. 2026. "Quercetin alleviates LPS-induced inflammatory response in dairy cow lamellar keratinocytes through PI3K/Akt/NF-κB signaling pathway." BMC veterinary research. https://doi.org/10.1186/s12917-026-05300-6.
  13. db:europepmc Naddafi, M; Udayabhaskararao, T. 2026. "Protective effects of rutin and quercetin against diazinon-induced toxicity in Wistar Rat Liver." Scientific reports. https://doi.org/10.1038/s41598-026-52967-w.
  14. db:europepmc Hong, L; Xia, S; Chen, N; Wang, Z. 2025. "Quercetin's regulation of glucose and lipid metabolism in gestational diabetes mellitus: role of the PCSK9/LDLR axis." Nutrition & metabolism. https://doi.org/10.1186/s12986-025-01048-2.
  15. db:pubmed Vásquez-Garzón VR, Velázquez-Enríquez JM, Santos-Álvarez JC et al.. (2025). "Quercetin in Idiopathic Pulmonary Fibrosis and Its Comorbidities: Gene Regulatory Mechanisms and Therapeutic Implications.". Genes. https://doi.org/10.3390/genes16080856
  16. db:Europe PMC (1992). "Toxicology and Carcinogenesis Studies of Quercetin (CAS No. 117-39-5) in F344 Rats (Feed Studies).".

REST: /wp-json/molgod/v1/hplc/detector/117-39-5

📐 Kalkulator symetrii piku HPLC (USP Tf / As)

Oblicz współczynnik ogonowości USP (T) oraz asymetrię (As) z połówkowych szerokości piku. Wprowadź a (lewa półszerokość) i b (prawa półszerokość) zmierzone na 5% lub 10% wysokości piku.

📚 References (Chicago Author-Date)
  1. USP General Chapter <621>. 2024. "Chromatography." United States Pharmacopeial Convention. [link ↗] — Defines USP Tailing Factor T = (a+b)/(2a) measured at 5% peak height.
  2. International Council for Harmonisation (ICH). 2023. "Validation of Analytical Procedures Q2(R2)." ICH Expert Working Group. [link ↗] — Tailing factor is a system suitability parameter (Section 6).
  3. Foley, Joe P., and John G. Dorsey. 1983. "Equations for calculation of chromatographic figures of merit for ideal and skewed peaks." Analytical Chemistry 55: 730-737 https://doi.org/10.1021/ac00255a033 [link ↗] — Original asymmetry factor As = b/a at 10% height (Foley & Dorsey 1983).
  4. Snyder, Lloyd R., Joseph J. Kirkland, and John W. Dolan. 2010. "Introduction to Modern Liquid Chromatography." Wiley. https://doi.org/10.1002/9780470508183 [link ↗] — Chapter 2.4 — peak shape diagnostics and remedies.
  5. Dolan, John W.. 2003. "Peak tailing and resolution." LCGC North America 21: 610-614 [link ↗] — How tailing factor degrades effective resolution.
  6. Vivó-Truyols, Gabriel, and Hans-Gerd Janssen. 2010. "Probabilistic approach to peak deconvolution in chromatography." Analytical Chemistry 82: 8525-8531 https://doi.org/10.1021/ac101742z [link ↗] — Modern numerical deconvolution for asymmetric peaks.
  7. Kromidas, Stavros. 2017. "HPLC Made to Measure: A Practical Handbook for Optimization." Wiley-VCH. — Practical Tf and As thresholds for routine QC.
  8. Dong, Michael W.. 2019. "HPLC and UHPLC for Practicing Scientists." Wiley. https://doi.org/10.1002/9781119313793 [link ↗]
  9. Meyer, Veronika R.. 2010. "Practical High-Performance Liquid Chromatography." Wiley.
  10. Heyden, Yvan Vander, et al.. 2009. "Robustness of pharmaceutical liquid chromatographic methods." Journal of Chromatography B 877: 2120-2129 https://doi.org/10.1016/j.jchromb.2008.10.052 [link ↗]
📊 Kalkulator rozdzielczości i liczby półek (Rs, N, H)

Oblicz rozdzielczość Rs, liczbę półek teoretycznych N oraz HETP (H) dla pary pików HPLC. Wprowadź czasy retencji, szerokości pików (na 50% lub na podstawie) i długość kolumny.

📚 References (Chicago Author-Date)
  1. Snyder, Lloyd R., Joseph J. Kirkland, and John W. Dolan. 2010. "Introduction to Modern Liquid Chromatography." 3rd ed. John Wiley & Sons. ISBN 978-0-470-16754-0. https://doi.org/10.1002/9780470508183 [link ↗] — Chapter 2 covers resolution, plate count and HETP fundamentals (Snyder et al. 2010).
  2. USP General Chapter <621>. 2024. "Chromatography." USP-NF 2024 ed. United States Pharmacopeial Convention. [link ↗] — Defines Rs >= 1.5 acceptance criterion and N calculation methods.
  3. Dolan, John W.. 2003. "How much resolution is enough?." LCGC North America 21: 350-353 [link ↗] — Practical guidance on Rs targets for routine method development.
  4. Van Deemter, J. J., F. J. Zuiderweg, and A. Klinkenberg. 1956. "Longitudinal diffusion and resistance to mass transfer as causes of nonideality in chromatography." Chemical Engineering Science 5: 271-289 https://doi.org/10.1016/0009-2509(56)80003-1 [link ↗] — Origin of N = 5.54·(tr/w0.5)² half-height plate count formulation.
  5. Giddings, J. Calvin. 1965. "Dynamics of Chromatography, Part I: Principles and Theory." Marcel Dekker. ISBN 978-0-8247-1357-7. — Resolution equation Rs = (1/4)·√N·(α-1)/α·k/(1+k) (master equation).
  6. Foley, Joe P., and John G. Dorsey. 1983. "Equations for calculation of chromatographic figures of merit for ideal and skewed peaks." Analytical Chemistry 55: 730-737 https://doi.org/10.1021/ac00255a033 [link ↗] — Skewed-peak corrections to apparent N.
  7. Knox, John H.. 1977. "Practical aspects of LC theory." Journal of Chromatographic Science 15: 352-364 https://doi.org/10.1093/chromsci/15.9.352 [link ↗]
  8. Carr, Peter W.. 2009. "The new physical chemistry of HPLC." Journal of Chromatography A 1216: 1764-1772 https://doi.org/10.1016/j.chroma.2008.11.094 [link ↗]
  9. Dong, Michael W.. 2019. "HPLC and UHPLC for Practicing Scientists." 2nd ed. Wiley. ISBN 978-1-119-31378-3. https://doi.org/10.1002/9781119313793 [link ↗]
  10. Meyer, Veronika R.. 2010. "Practical High-Performance Liquid Chromatography." 5th ed. Wiley. ISBN 978-0-470-68218-0.
🧪 System Suitability — kalkulator live (USP <621>)

Wprowadź dane z 5-6 wstrzyknięć (areas, tr, tailing, plates) — kalkulator policzy %RSD, średnie i sprawdzi zgodność z USP <621>. Możesz wkleić CSV (po przecinku) lub edytować pojedyncze wartości.

📚 References (Chicago Author-Date)
  1. USP General Chapter <621>. 2024. "Chromatography (System Suitability section)." USP-NF 2024 ed. United States Pharmacopeial Convention. [link ↗] — Defines RSD area < 2%, tailing < 2.0, N > 2000 acceptance criteria.
  2. International Council for Harmonisation (ICH). 2023. "Validation of Analytical Procedures Q2(R2)." ICH Expert Working Group. [link ↗] — Section 5.4 — system suitability is part of method validation.
  3. US Food and Drug Administration (FDA). 2018. "Reviewer Guidance: Validation of Chromatographic Methods." US Food and Drug Administration. [link ↗] — CDER reviewer perspective on chromatographic validation expectations.
  4. Snyder, Lloyd R., Joseph J. Kirkland, and John W. Dolan. 2010. "Introduction to Modern Liquid Chromatography." 3rd ed. Wiley. — Chapter 2 — system suitability fundamentals (RSD, Tf, N).
  5. Heyden, Yvan Vander, et al.. 2009. "Robustness of pharmaceutical liquid chromatographic methods." — Robustness vs. system suitability — design-of-experiments framework.
  6. Rozet, Eric, et al.. 2013. "Analysis of recent pharmaceutical regulatory documents on analytical method validation."
  7. European Medicines Agency (EMA). 2011. "Guideline on bioanalytical method validation EMEA/CHMP/EWP/192217/2009." EMA. [link ↗] — EMA companion guideline with bioanalytical SS criteria.
  8. Dong, Michael W.. 2019. "HPLC and UHPLC for Practicing Scientists." 2nd ed. Wiley. — UHPLC-specific suitability adjustments (n=5 vs. n=6).
  9. Kazakevich, Yuri V., and Rosario LoBrutto, eds.. 2007. "HPLC for Pharmaceutical Scientists." Wiley-Interscience.
  10. AOAC International. 2016. "Appendix F: Guidelines for Standard Method Performance Requirements." AOAC INTERNATIONAL. [link ↗] — Alternative SS thresholds for food/dietary samples.
📈 Predyktor widma UV-VIS (200-400 nm) λmax 370 nm MolGod_UVVIS_1
0%25%50%75%100%200250300350400370 nmA = ε·c·lA / Aₘₐₓ (%)
ZwiązekQuercetin
λmax370 nm
λmin255 nm
εmax (M⁻¹·cm⁻¹)21 000
Rozpuszczalnik (zapytanie)water
Rozpuszczalnik (referencja)methanol
Stężenie (M)1e-4
Długość drogi (cm)1
FWHM krzywej80 nm

Model: krzywa Gaussa wycentrowana na λmax ze skalowaniem Beer-Lamberta A = ε · c · l. Transmitancja T = 10^(-A) · 100%.

📚 Naukowe referencje (Chicago Author-Date)
  1. Feng, M; Zhou, X; Yang, T; Chen, Z. 2026. "Quercetin prevents age-related hearing loss in C57BL/6J mice by activating mitophagy and inhibiting the NLRP3 inflammasome." PloS one. https://doi.org/10.1371/journal.pone.0342423. [DOI]
  2. Alves, ÉR; Silva, JGMD; Melo, IMF; Santos, LCDS. 2026. "Melatonin and Quercetin Co-Treatment Attenuates Hepatic Damage in Diabetic Rats by Mitigating Oxidative Stress and Inflammation." Journal of biochemical and molecular toxicology. https://doi.org/10.1002/jbt.70855. [DOI]
  3. Jumriani, J; Aswad, M; Ratnawati, R; Filmaharani, F. 2026. "<i>In Vivo</i> and <i>In Silico</i> Analysis of Quercetin's Effects on Glycemic Regulation." Scientifica. https://doi.org/10.1155/sci5/5159975. [DOI]
  4. Tang, Y; Jiang, YH; Wu, CY; Wang, GT. 2026. "Quercetin alleviates CCl<sub>4</sub>-induced liver fibrosis via regulating gut microbiota and the AGE-RAGE/PI3K/Akt signaling axis." Biochemistry and biophysics reports. https://doi.org/10.1016/j.bbrep.2026.102540. [DOI]
  5. Zhao, L; Guo, B; Dong, X; Du, Y. 2026. "Targeting the Hedgehog Signaling Pathway in the Retina Using Quercetin-Loaded Lipid Nanoparticles for Myopia Control." Translational vision science & technology. https://doi.org/10.1167/tvst.15.4.3. [DOI]
  6. Shen, D; Kong, W; Qiu, H; Yuan, H. 2026. "Quercetin Alleviates Cerebral Ischemia-Induced Neuroinflammation by Inhibiting Microglia-Mediated NLRP3/Caspase-1/GSDMD Pathway." Cells. https://doi.org/10.3390/cells15060552. [DOI]
  7. Bai, H; Xu, Y; Zhao, B; Qin, X. 2026. "The mechanisms of myricetin and quercetin in regulating miRNA-140 and MMP/TIMP signaling pathway in osteoarthritis treatment." Pakistan journal of pharmaceutical sciences. https://doi.org/10.36721/pjps.2026.39.8.226.1. [DOI]
  8. Santos, I; Costa, VM; Carvalho, F; Fernandes, E. 2026. "Quercetin mitigates size-dependent oxidative and metabolic toxicity of citrate-coated silver nanoparticles in human erythrocytes." Archives of toxicology. https://doi.org/10.1007/s00204-026-04308-z. [DOI]
  9. Liu, G; Kong, X; Zhao, Y; Cai, N. 2026. "Quercetin Ameliorates Comorbid Insomnia in Diarrhea-Predominant Irritable Bowel Syndrome via the PI3K/AKT/NF-κB Signaling Pathway." Biomedicines. https://doi.org/10.3390/biomedicines14030692. [DOI]
  10. Zhang, L; Chen, Z; Yang, M; Sun, H. 2026. "Quercetin upregulates steroid hormone biosynthesis to enhance reproductive performance in roosters." Poultry science. https://doi.org/10.1016/j.psj.2026.106590. [DOI]
  11. Wang, Z; Huang, J; Huang, D; An, R. 2026. "Quercetin suppresses the progression of HBV-associated hepatocellular carcinoma by modulating the EGFR signaling pathway." PloS one. https://doi.org/10.1371/journal.pone.0350584. [DOI]
  12. Zhai, C; Wu, Q; Yang, X; Xie, Y. 2026. "Quercetin alleviates LPS-induced inflammatory response in dairy cow lamellar keratinocytes through PI3K/Akt/NF-κB signaling pathway." BMC veterinary research. https://doi.org/10.1186/s12917-026-05300-6. [DOI]
  13. Naddafi, M; Udayabhaskararao, T. 2026. "Protective effects of rutin and quercetin against diazinon-induced toxicity in Wistar Rat Liver." Scientific reports. https://doi.org/10.1038/s41598-026-52967-w. [DOI]
  14. Hong, L; Xia, S; Chen, N; Wang, Z. 2025. "Quercetin's regulation of glucose and lipid metabolism in gestational diabetes mellitus: role of the PCSK9/LDLR axis." Nutrition & metabolism. https://doi.org/10.1186/s12986-025-01048-2. [DOI]
  15. Vásquez-Garzón VR, Velázquez-Enríquez JM, Santos-Álvarez JC et al.. (2025). "Quercetin in Idiopathic Pulmonary Fibrosis and Its Comorbidities: Gene Regulatory Mechanisms and Therapeutic Implications.". Genes. https://doi.org/10.3390/genes16080856 [DOI]
  16. (1992). "Toxicology and Carcinogenesis Studies of Quercetin (CAS No. 117-39-5) in F344 Rats (Feed Studies).".
  17. Linstrom, Peter J., and William G. Mallard, eds. 2023. NIST Chemistry WebBook, NIST Standard Reference Database Number 69. Gaithersburg, MD: National Institute of Standards and Technology. [DOI]
  18. Mayerhöfer, Thomas G., Samir Pahlow, and Jürgen Popp. 2020. "The Bouguer-Beer-Lambert Law: Shining Light on the Obscure." ChemPhysChem 21 (18): 2029-2046. [DOI]
  19. Skoog, Douglas A., F. James Holler, and Stanley R. Crouch. 2017. Principles of Instrumental Analysis. 7th ed. Boston: Cengage Learning. ISBN 978-1-305-57721-3.
  20. Lindon, John C., George E. Tranter, and David W. Koppenaal, eds. 2017. "Encyclopedia of Spectroscopy and Spectrometry." 3rd ed. Amsterdam: Academic Press. ISBN 978-0-12-803224-4.
  21. Field, Leslie D., Sev Sternhell, and John R. Kalman. 2013. "Organic Structures from Spectra." 5th ed. Chichester: Wiley. ISBN 978-1-119-96582-6.
  22. Reusch, William. 2013. "Virtual Textbook of Organic Chemistry: Spectroscopy." East Lansing, MI: Michigan State University.
  23. Lampman, Gary M., Donald L. Pavia, George S. Kriz, and James R. Vyvyan. 2010. "Spectroscopy." 4th ed. Belmont, CA: Cengage Learning. ISBN 978-0-495-88992-9.
  24. Kalsi, P. S. 2010. "Spectroscopy of Organic Compounds." 6th ed. New Delhi: New Age International. ISBN 978-81-224-2032-9.
  25. Williams, Dudley H., and Ian Fleming. 2008. "Spectroscopic Methods in Organic Chemistry." 6th ed. London: McGraw-Hill. ISBN 978-0-07-711559-0.
  26. Sadek, Paul C. 2002. The HPLC Solvent Guide. 2nd ed. Hoboken: Wiley. ISBN 978-0-471-41242-2.
  27. Banwell, Colin N., and Elaine M. McCash. 1994. "Fundamentals of Molecular Spectroscopy." 4th ed. London: McGraw-Hill. ISBN 978-0-07-707976-1.
  28. Perkampus, Heinz-Helmut. 1992. UV-VIS Spectroscopy and Its Applications. Berlin: Springer. https://doi.org/10.1007/978-3-642-77479-9.
  29. Fieser, Louis F. 1949. "Extension of Woodward's Rules for Prediction of Conjugated Diene Absorption." Journal of the American Chemical Society 71 (5): 1854-1857. [DOI]
  30. Woodward, Robert B. 1942. "Structure and the Absorption Spectra of Alpha,Beta-Unsaturated Ketones." Journal of the American Chemical Society 64 (1): 72-75. [DOI]
  31. Beer, August. 1852. "Bestimmung der Absorption des rothen Lichts in farbigen Flüssigkeiten." Annalen der Physik und Chemie 86: 78-88. https://doi.org/10.1002/andp.18521620505.
  32. Lambert, Johann Heinrich. 1760. Photometria. Augsburg: Sumptibus Vidae.

📖 Wartość λmax = 370 nm pochodzi z bazy/literatury. Brak niezależnego potwierdzenia krzyżowego (NIST / CrossRef / PubChem) — weryfikacja krzyżowa niedostępna.

REST: /wp-json/molgod/v1/spectra/uv-vis/117-39-5?solvent=water&path_length_cm=1

📤 Osadź tę molekułę na swojej stronie

Masz bloga, forum lub serwis naukowy? Osadź interaktywną molekułę 3D na swojej stronie — zobaczy ją każdy Twój czytelnik, a poniżej ma link do naszego sklepu gdzie może kupić odczynnik.

🔗 Kod HTML iframe (najłatwiejsze — działa wszędzie)

Skopiuj i wklej w edytorze HTML swojej strony:

Dostosuj width i height do swojego layoutu.

⚙ WordPress Shortcode (dla innych sklepów z MOL-GOD)

🌐 Bezpośredni link (do emaili, czatów, LinkedIn, Twitter)

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QR code CAS 117-39-5

📱 QR code (do druku na ulotkach / etykietach / katalogach)

Umieść w katalogu produktów, na etykiecie butelki lub ulotce. Klient skanuje — widzi molekułę 3D na telefonie, ze linkiem do Twojego sklepu.

⬇ Pobierz PNG

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Preview
📋 Licencja: Embed zachowuje link zwrotny do DH Scientific (wymagane — sklep jest źródłem danych). Dane chemiczne pochodzą z PubChem (CC0 — domena publiczna). Embed jest BEZPŁATNY do zastosowań edukacyjnych, komercyjnych i hobby.
📚 REFERENCJE (Bibliografia zbiorcza, Chicago Author-Date) 127 items

Wszystkie źródła naukowe cytowane w akordeonach powyżej dla CAS 117-39-5. Format: Chicago Manual of Style 17th ed., Author-Date system.

🗄️ Bazy danych naukowych

  1. NIST. n.d. NIST Chemistry WebBook: CAS 117-39-5. Gaithersburg, MD: National Institute of Standards and Technology. https://webbook.nist.gov/cgi/cbook.cgi?ID=117-39-5.
  2. AIST. n.d. Spectral Database for Organic Compounds (SDBS): CAS 117-39-5. Tsukuba, Japan: National Institute of Advanced Industrial Science and Technology. https://sdbs.db.aist.go.jp/.
  3. Linstrom, Peter J., and William G. Mallard, eds. n.d. NIST Chemistry WebBook: NIST Standard Reference Database Number 69. Gaithersburg, MD: National Institute of Standards and Technology. https://doi.org/10.18434/T4D303.
  4. PubChem. n.d. PubChem Compound Summary: CAS 117-39-5. Bethesda, MD: National Center for Biotechnology Information (NCBI), National Library of Medicine. https://pubchem.ncbi.nlm.nih.gov/#query=117-39-5.
  5. U.S. EPA. n.d. CompTox Chemicals Dashboard: CAS 117-39-5. Research Triangle Park, NC: U.S. Environmental Protection Agency. https://comptox.epa.gov/dashboard/chemical/details/DTXSID4021218.

📐 Standardy / Wytyczne

  1. ICH. 2003. "Stability Testing of New Drug Substances and Products: Q1A(R2)." Geneva: International Council for Harmonisation of Technical Requirements for Pharmaceuticals for Human Use. https://database.ich.org/sites/default/files/Q1A%28R2%29%20Guideline.pdf.
  2. National Fire Protection Association (NFPA). 2024. "NFPA 30: Flammable and Combustible Liquids Code." NFPA, Quincy, MA. https://www.nfpa.org/codes-and-standards/all-codes-and-standards/list-of-codes-and-standards/detail?code=30.
  3. Occupational Safety and Health Administration (OSHA). 2023. "29 CFR 1910.106 — Flammable Liquids." U.S. Department of Labor, Federal Register. https://www.osha.gov/laws-regs/regulations/standardnumber/1910/1910.106.
  4. European Chemicals Agency (ECHA). 2024. "Annex VI to Regulation (EC) No 1272/2008 (CLP) — Harmonised Classification and Labelling." ECHA, Helsinki / Official Journal of the European Union. https://echa.europa.eu/regulations/clp/clp-classification.
  5. European Committee for Standardization (CEN). 2016. "EN 374-1:2016 — Protective gloves against dangerous chemicals and micro-organisms — Part 1: Terminology and performance requirements for chemical risks." CEN, Brussels. https://standards.cencenelec.eu/dyn/www/f?p=205:110:::::FSP_PROJECT,FSP_ORG_ID:38536,6080&cs=1B0DAA8B85DF42E4A2C70E5D71F0BFA32.
  6. European Committee for Standardization (CEN). 2001. "EN 166:2001 — Personal eye-protection — Specifications." CEN, Brussels. https://standards.cencenelec.eu/dyn/www/f?p=CEN:110:0::::FSP_PROJECT:6541&cs=1F1A4E0A78C4DB6A28DBE2E8C29D89DCF.
  7. European Committee for Standardization (CEN). 2009. "EN 14605:2005+A1:2009 — Protective clothing against liquid chemicals — Performance requirements for clothing with liquid-tight (Type 3) or spray-tight (Type 4) connections." CEN, Brussels. https://standards.cencenelec.eu/dyn/www/f?p=CEN:110:0::::FSP_PROJECT:21581&cs=1A04A2D3C7CC58E9E6CB58D55F7EBFB7E.
  8. National Institute for Occupational Safety and Health (NIOSH). 2017. "Recommendations for Chemical Protective Clothing: A Companion to the NIOSH Pocket Guide." U.S. Department of Health & Human Services / CDC. https://www.cdc.gov/niosh/ncpc/default.html.
  9. Occupational Safety and Health Administration (OSHA). 2011. "Personal Protective Equipment — General requirements." U.S. Department of Labor — 29 CFR 1910.132. https://www.osha.gov/laws-regs/regulations/standardnumber/1910/1910.132.

📖 Książki

  1. Hansen, Charles M. 2007. Hansen Solubility Parameters: A User's Handbook, 2nd ed.. Boca Raton, FL: CRC Press. https://www.routledge.com/Hansen-Solubility-Parameters-A-Users-Handbook/Hansen/p/book/9780849372483.
  2. Barton, Allan F. M. 1991. CRC Handbook of Solubility Parameters and Other Cohesion Parameters: 2nd ed.. Boca Raton, FL: CRC Press. https://www.routledge.com/CRC-Handbook-of-Solubility-Parameters-and-Other-Cohesion-Parameters/Barton/p/book/9780849301766.
  3. Connors, Kenneth A., Gordon L. Amidon, and Valentino J. Stella. 1986. Chemical Stability of Pharmaceuticals: A Handbook for Pharmacists, 2nd ed.. New York: Wiley. https://doi.org/10.1002/0471734683.
  4. Rumble, John R., ed. 2019. CRC Handbook of Chemistry and Physics: 100th Edition. Boca Raton, FL: CRC Press. https://hbcp.chemnetbase.com/.
  5. Urben, Peter G. 2017. Bretherick's Handbook of Reactive Chemical Hazards, 8th Edition. Academic Press / Elsevier, Oxford. https://www.sciencedirect.com/book/9780081010594.

📘 Monografie

  1. IARC. n.d. IARC Monographs on the Identification of Carcinogenic Hazards to Humans: CAS 117-39-5. Lyon, France: International Agency for Research on Cancer, World Health Organization. https://monographs.iarc.who.int/list-of-classifications/.

📄 Artykuły naukowe (peer-reviewed)

  1. Stefanis, Emmanuel, and Costas Panayiotou. 2008. "Prediction of Hansen Solubility Parameters with a New Group-Contribution Method." International Journal of Thermophysics 29: 568-585. https://doi.org/10.1007/s10765-008-0415-z.
  2. Stoll, Vincent S., and John S. Blanchard. 1990. "Buffers: Principles and Practice: In Methods in Enzymology, vol. 182." San Diego: Academic Press. https://doi.org/10.1016/0076-6879(90)82008-P.

🌐 Strony internetowe

  1. ECHA. 2023. "Guidance on the Application of the CLP Criteria." European Chemicals Agency. https://echa.europa.eu/guidance-documents/guidance-on-clp.
  2. European Parliament. 2006. "Regulation (EC) No 1907/2006 (REACH)." Official Journal of the European Union L 396: 1–849.
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