Theobromine - analytical standard, ≥99.5% , CAS No.83-67-0

CAS: 83-67-0 Cat. No.: T106805 Peso molecular: 180.16 Beilstein Registry Number: 16464 Número EC: 201-494-2
Disponible para pedir
GRADE & PURITY Analytical standard ? Analytical standard — certified-purity material for quantitative calibration. Use to prepare calibration standards and validate analytical methods. ≥99.5%
Synonyms
DivK1c_000611 | NSC757407 | Spectrum4_000403 | KBio2_005569 | Prestwick_1054 | BSPBio_000947 | THEOBROMINE [WHO-DD] | UNII-OBD445WZ5P | FEMA No. 3591 | HMS3263N15 | OBD445WZ5P | Prestwick1_000874 | Xantheose | HMS2097P09 | HMS501O13 | NINDS_000611 | THEOB
Storage
Room temperature
Shipped In
Normal
 ·  off list, applied to all prices below.
Size
Estado
Price
Qty
250mg
T106805-250mg
4

87,90US$

103,90US$
Guardar 16,00 US$ (15.40%)
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Why this grade

analytical standard, ≥99.5% Analytical standard for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Room temperature Ships Normal Check lot-specific COA for exact specifications.

📋

Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

📚

Literature proof

Cited in 37 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

Sinónimos
DivK1c_000611 | NSC757407 | Spectrum4_000403 | KBio2_005569 | Prestwick_1054 | BSPBio_000947 | THEOBROMINE [WHO-DD] | UNII-OBD445WZ5P | FEMA No. 3591 | HMS3263N15 | OBD445WZ5P | Prestwick1_000874 | Xantheose | HMS2097P09 | HMS501O13 | NINDS_000611 | THEOB
Especificaciones y pureza
analytical standard, ≥99.5%
Condiciones de almacenamiento de almacenamiento
Room temperature
Enviado en
Normal
Grado
Analytical standard
Pureza
≥99.5%
Nombres e identificadores
Pubchem Sid504750892
Pubchem Sid Urlhttps://pubchem.ncbi.nlm.nih.gov/substance/504750892
Sonrisas canónicasCN1C=NC2=C1C(=O)NC(=O)N2C
IUPAC Name3,7-dimethylpurine-2,6-dione
InChIKeyYAPQBXQYLJRXSA-UHFFFAOYSA-N
INCHI1S/C7H8N4O2/c1-10-3-8-5-4(10)6(12)9-7(13)11(5)2/h3H,1-2H3,(H,9,12,13)
Isómeros SMILES CN1C=NC2=C1C(=O)NC(=O)N2C
WGK Alemania 1
RTECS XH2275000
Peso molecular 180.16
Beilstein 16464
Reaxy-Rn 16464
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=16464&ln=

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

Download SDS →

✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

Look up COA →

📊 Datasheet

Quick-reference summary of product specifications and applications.

View datasheet →

🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassOrganoheterocyclic compounds
ClaseImidazopyrimidines
SubclassPurines and purine derivatives
Intermediate Tree Nodes Not available
Direct ParentXanthines
Alternative Parents 6-oxopurines  Alkaloids and derivatives  Pyrimidones  N-substituted imidazoles  Vinylogous amides  Heteroaromatic compounds  Ureas  Lactams  Azacyclic compounds  Organopnictogen compounds  Organooxygen compounds  Organonitrogen compounds  Organic oxides  Hydrocarbon derivatives  
Molecular FrameworkAromatic heteropolycyclic compounds
Substituents Xanthine - 6-oxopurine - Purinone - Alkaloid or derivatives - Pyrimidone - N-substituted imidazole - Pyrimidine - Azole - Imidazole - Heteroaromatic compound - Vinylogous amide - Lactam - Urea - Azacycle - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound
DescripciónThis compound belongs to the class of organic compounds known as xanthines. These are purine derivatives with a ketone group conjugated at carbons 2 and 6 of the purine moiety.
External Descriptors a small molecule
Estructura 3D
Modelo de Estructura Química Interactiva





Objetivos asociados (humanos)
ESR1 Tclin Estrogen receptor alpha (17718 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
NR3C1 Tclin Glucocorticoid receptor (14987 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
PGR Tclin Progesterone receptor (8562 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
ADRB2 Tclin Beta-2 adrenergic receptor (11824 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CHRM2 Tclin Muscarinic acetylcholine receptor M2 (10671 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
ADRB1 Tclin Beta-1 adrenergic receptor (6630 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HTR1A Tclin Serotonin 1a (5-HT1a) receptor (14969 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
ADRA2A Tclin Alpha-2a adrenergic receptor (9450 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
AR Tclin Androgen Receptor (11781 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CHRM1 Tclin Muscarinic acetylcholine receptor M1 (12690 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
DRD2 Tclin Dopamine D2 receptor (23596 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
GABRA1 Tclin GABA receptor alpha-1 subunit (399 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
MAOA Tclin Monoamine oxidase A (11911 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CNR1 Tclin Cannabinoid CB1 receptor (20913 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
DRD1 Tclin Dopamine D1 receptor (9720 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
ACHE Tclin Acetylcholinesterase (18204 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
PTGS1 Tclin Cyclooxygenase-1 (9233 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
SLC6A2 Tclin Norepinephrine transporter (10102 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HRH2 Tclin Histamine H2 receptor (5428 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HTR2A Tclin Serotonin 2a (5-HT2a) receptor (14758 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HTR2C Tclin Serotonin 2c (5-HT2c) receptor (11471 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
AVPR2 Tclin Vasopressin V2 receptor (2912 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
ADORA1 Tclin Adenosine A1 receptor (17603 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
AGTR1 Tclin Type-1 angiotensin II receptor (5176 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
SLC6A4 Tclin Serotonin transporter (12625 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
ADRA1A Tclin Alpha-1a adrenergic receptor (8359 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
PTGS2 Tclin Cyclooxygenase-2 (13999 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HRH1 Tclin Histamine H1 receptor (7573 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
OPRM1 Tclin Mu opioid receptor (19785 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
DRD3 Tclin Dopamine D3 receptor (14368 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
AVPR1A Tclin Vasopressin V1a receptor (5412 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
OPRD1 Tclin Delta opioid receptor (15096 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
OPRK1 Tclin Kappa opioid receptor (16155 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HTR3A Tclin Serotonin 3a (5-HT3a) receptor (3366 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
SLC6A3 Tclin Dopamine transporter (10535 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
GRIN1 Tclin Glutamate (NMDA) receptor subunit zeta 1 (122 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
KCNH2 Tclin HERG (29587 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CACNA1C Tclin Voltage-gated L-type calcium channel alpha-1C subunit (766 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
PDE3A Tclin Phosphodiesterase 3A (3309 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
SLC29A1 Tclin Equilibrative nucleoside transporter 1 (1711 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
ADRA2B Tclin Alpha-2b adrenergic receptor (4412 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
ADRA2C Tclin Alpha-2c adrenergic receptor (4876 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HTR2B Tclin Serotonin 2b (5-HT2b) receptor (10323 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
TBXA2R Tclin Thromboxane A2 receptor (5717 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
ADORA2A Tclin Adenosine A2a receptor (16305 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
RXRA Tclin Retinoid X receptor alpha (3637 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
ADORA2B Tclin Adenosine A2b receptor (7672 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
ADORA3 Tchem Adenosine A3 receptor (15931 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
BDKRB2 Tclin Bradykinin B2 receptor (3970 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CHRNA4 Tclin Neuronal acetylcholine receptor protein alpha-4 subunit (1265 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Objetivos asociados (no humanos)
Mc4r Melanocortin receptor 4 (1205 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Npy1r Neuropeptide Y receptor type 1 (8 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Cckar Cholecystokinin A receptor (90 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Pde4d Phosphodiesterase 4D (4 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mapk1 MAP kinase ERK2 (650 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Hdac6 Histone deacetylase 6 (222 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Plasmodium falciparum (966862 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mus musculus (284745 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
rep Replicase polyprotein 1ab (378 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
pfk 6-phospho-1-fructokinase (7870 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
BCHE Cholinesterase (8742 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Adora2b Adenosine A2 receptor (1828 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mecanismos de acción
Certificados (CoA, COO, BSE/TSE y tabla de análisis)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

3 results found

Lot NumberCertificate TypeFechaArticulo
L2215314Certificate of AnalysisJun 09, 2026 T106805
B2510095Certificate of AnalysisFeb 12, 2025 T106805
H2111286Certificate of AnalysisMay 11, 2023 T106805
Propiedades químicas y físicas
Punto de fusión (°C)345-350℃
Peso molecular180.160 g/mol
XLogP3-0.800
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Exact Mass180.065 Da
Monoisotopic Mass180.065 Da
Topological Polar Surface Area67.200 Ų
Heavy Atom Count13
Formal Charge0
Complexity267.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Preguntas frecuentes y artículos
Citations of This Product
Referencias
1. Yating Guo, Yili Shen, Boya Hu, Huichun Ye, Haowei Guo, Qiang Chu, Ping Chen.  (2023)  Decoding the Chemical Signatures and Sensory Profiles of Enshi Yulu: Insights from Diverse Tea Cultivars.  Plants-Basel,  12  (21): (3707).  [PMID:37960063] [10.3390/plants12213707]
2. Ling-Xiao Chen, Shi-Jun Yin, Tong-Qing Chai, Jia-Li Wang, Guo-Ying Chen, Xi Zhou, Feng-Qing Yang.  (2023)  Ultra-High Adsorption Capacity of Core–Shell-Derived Magnetic Zeolite Imidazolate Framework-67 as Adsorbent for Selective Extraction of Theophylline.  MOLECULES,  28  (14): (5573).  [PMID:37513444] [10.3390/molecules28145573]
3. Zhi-Quan Li, Xiao-Li Yin, Hui-Wen Gu, Dan Zou, Baomiao Ding, Zhenshun Li, Ying Chen, Wanjun Long, Haiyan Fu, Yuanbin She.  (2023)  Revealing the chemical differences and their application in the storage year prediction of Qingzhuan tea by SWATH-MS based metabolomics analysis.  FOOD RESEARCH INTERNATIONAL,      [PMID:37803551] [10.1016/j.foodres.2023.113238]
4. Yingshuang Meng, Zhibo Qi, Zhonghua Li, Yuchao Niu, Mengyuan Wu, Zhijie Yuan, Gaohong He, Mingyang Yu, Xiaobin Jiang.  (2023)  Tailored hydrogel composite membrane for the regulated crystallization of monosodium urate monohydrate within coffee’s metabolites system.  JOURNAL OF COLLOID AND INTERFACE SCIENCE,      [PMID:37301161] [10.1016/j.jcis.2023.05.183]
5. Su Zhou, Jiaying Yang, Yani Pan, Xinyu Feng, Hao Hu, Shicheng Ma, Cansong Ou, Fangyuan Fan, Shuying Gong, Yuefei Wang, Ping Chen, Qiang Chu.  (2023)  Pu’ er raw tea extract alleviates DSS-induced colitis in mice by restoring intestinal barrier function and maintaining gut microbiota homeostasis.  Food Bioscience,      [PMID:] [10.1016/j.fbio.2023.102750]
6. Jianhui Zhu, Jingyang Yu, Bingjie Zhang, Changsheng Li, Jianli Wang, Jiawen Ji, Desheng Liu, Rumin Gao, Jianzhang Li, Yongqiang Ma.  (2023)  Hydrophobic-action-driven removal of six organophosphorus pesticides from tea infusion by modified carbonized bacterial cellulose.  FOOD CHEMISTRY,      [PMID:36716625] [10.1016/j.foodchem.2023.135546]
7. Xiao-Hua Zhang, Hui-Na Cui, Jing-Jing Zheng, Xiang-Dong Qing, Kai-Long Yang, Ya-Qian Zhang, Lu-Meng Ren, Le-Yuan Pan, Xiao-Li Yin.  (2022)  Discrimination of the harvesting season of green tea by alcohol/salt-based aqueous two-phase systems combined with chemometric analysis.  FOOD RESEARCH INTERNATIONAL,      [PMID:36596188] [10.1016/j.foodres.2022.112278]
8. Hansen Yang, Zhimiao Wang, Hualiang An, Qiusheng Yang, Wei Xue, Fang Li, Yanji Wang.  (2022)  Catalyst-free N-methylation of 3-methylxanthine with dimethyl carbonate in water: green synthesis of theobromine.  NEW JOURNAL OF CHEMISTRY,  46  (27): (12934-12940).  [PMID:] [10.1039/D2NJ01624A]
9. Zhang Hongding, Wu Sifei, Xing Zhenhua, Gao Man, Sun Mengwei, Wang Jiaoyu, Wang Hai-Bo.  (2022)  Green synthesis of carbon nanodots for direct and rapid determination of theophylline through fluorescence turn on–off strategy.  APPLIED PHYSICS A-MATERIALS SCIENCE & PROCESSING,  128  (4): (1-10).  [PMID:] [10.1007/s00339-022-05485-1]
10. Hui-Wen Gu, Xiao-Li Yin, Tian-Qin Peng, Yuan Pan, Hui-Na Cui, Zhi-Quan Li, Weiqing Sun, Baomiao Ding, Xian-Chun Hu, Zi-Hong Zhang, Zhi Liu.  (2021)  Geographical origin identification and chemical markers screening of Chinese green tea using two-dimensional fingerprints technique coupled with multivariate chemometric methods.  FOOD CONTROL,      [PMID:] [10.1016/j.foodcont.2021.108795]
11. Jian Jiao, Zhiyong Zhou, Shichao Tian, Zhongqi Ren.  (2021)  Facile preparation of molecular-imprinted polymers for selective extraction of theophylline molecular from aqueous solution.  JOURNAL OF MOLECULAR STRUCTURE,      [PMID:] [10.1016/j.molstruc.2021.130891]
12. Yintao Li, Zisheng Luo, Gangfeng Li, Tarun Belwal, Li Li, Yanqun Xu, Bin Su, Xingyu Lin.  (2021)  Interference-free Detection of Caffeine in Complex Matrices Using a Nanochannel Electrode Modified with Binary Hydrophilic–Hydrophobic PDMS.  ACS Sensors,      [PMID:33752324] [10.1021/acssensors.1c00004]
13. Tian-Qin Peng, Xiao-Li Yin, Hui-Wen Gu, Weiqing Sun, Baomiao Ding, Xian-Chun Hu, Li-An Ma, Shu-Dong Wei, Zhi Liu, Shi-Yi Ye.  (2020)  HPLC-DAD fingerprints combined with chemometric techniques for the authentication of plucking seasons of Laoshan green tea.  FOOD CHEMISTRY,      [PMID:33465688] [10.1016/j.foodchem.2020.128959]
14. Xiaoyun Jiang, Yongling Lu, Lishuang Lv.  (2020)  Trapping Acrolein by Theophylline/Caffeine and Their Metabolites from Green Tea and Coffee in Mice and Humans.  JOURNAL OF AGRICULTURAL AND FOOD CHEMISTRY,      [PMID:33253558] [10.1021/acs.jafc.0c05483]
15. Wang Xiaotao, Xu Junyang, Xie Xun, Li Xuefeng, Liu Zuifang.  (2020)  Poly(vinyldiaminotriazine) nanoparticle adsorption of small drug molecules in aqueous phase and the role of synergistic interaction between hydrogen bonding and hydrophobic affinity.  COLLOID AND POLYMER SCIENCE,  299  (1): (37-47).  [PMID:] [10.1007/s00396-020-04765-7]
16. Yuchun Wang, Fei Xiong, Qinhua Lu, Xinyuan Hao, Mengxia Zheng, Lu Wang, Nana Li, Changqing Ding, Xinchao Wang, Yajun Yang.  (2019)  Diversity of Pestalotiopsis-Like Species Causing Gray Blight Disease of Tea Plants (Camellia sinensis) in China, Including two Novel Pestalotiopsis Species, and Analysis of Their Pathogenicity.  PLANT DISEASE,  103  (10):   [PMID:31432774] [10.1094/PDIS-02-19-0264-RE]
17. Jin Tan, Rong Li, Zi-Tao Jiang, Shu-Hua Tang, Ying Wang.  (2019)  Rapid and non-destructive prediction of methylxanthine and cocoa solid contents in dark chocolate by synchronous front-face fluorescence spectroscopy and PLSR.  JOURNAL OF FOOD COMPOSITION AND ANALYSIS,      [PMID:] [10.1016/j.jfca.2019.01.001]
18. Lujing Xu, Guobin Xia, Zisheng Luo, Songbai Liu.  (2018)  UHPLC analysis of major functional components in six types of Chinese teas: Constituent profile and origin consideration.  LWT-FOOD SCIENCE AND TECHNOLOGY,      [PMID:] [10.1016/j.lwt.2018.12.008]
19. Weiping Wang, Ya-Chun Lu, Hong Huang, Ai-Jun Wang, Jian-Rong Chen, Jiu-Ju Feng.  (2014)  Facile synthesis of N, S-codoped fluorescent carbon nanodots for fluorescent resonance energy transfer recognition of methotrexate with high sensitivity and selectivity.  BIOSENSORS & BIOELECTRONICS,      [PMID:25310482] [10.1016/j.bios.2014.09.066]
20. Wei Yin, Huihui Chai, Renhua Liu, Changhu Chu, John A. Palasota, Xiaohui Cai.  (2014)  Click N-benzyl iminodiacetic acid: Novel silica-based tridentate zwitterionic stationary phase for hydrophilic interaction liquid chromatography.  TALANTA,      [PMID:25476290] [10.1016/j.talanta.2014.08.077]
21. Jun Jing, Zhiyong Li, Yuanchao Pei, Huiyong Wang, Jianji Wang.  (2013)  Equilibrium partitioning of drug molecules between aqueous and amino acid ester-based ionic liquids.  JOURNAL OF CHEMICAL THERMODYNAMICS,      [PMID:] [10.1016/j.jct.2013.02.011]
22. Zhi-Quan Li, Xiao-Li Yin, Hui-Wen Gu, Zhi-Xin Peng, Baomiao Ding, Zhenshun Li, Ying Chen, Wanjun Long, Haiyan Fu, Yuanbin She.  (2024)  Discrimination and prediction of Qingzhuan tea storage year using quantitative chemical profile combined with multivariate analysis: Advantages of MRMHR based targeted quantification metabolomics.  FOOD CHEMISTRY,      [PMID:38547707] [10.1016/j.foodchem.2024.139088]
23. Yunyi Xu, Qionghua Ding, Yuhuan Xie, Qingqing Zhang, Yangyu Zhou, Hairui Sun, Rui Qian, Liqun Wang, Xuxi Chen, Ying Gao, Yuqin Yao, Yue Xiao.  (2024)  Green tea polyphenol alleviates silica particle-induced lung injury by suppressing IL-17/NF-κB p65 signaling-driven inflammation.  PHYTOMEDICINE,      [PMID:39550922] [10.1016/j.phymed.2024.156238]
24. Ningyi Wang, Xinghao Huang, Jiamin Zhang, Xu Wu, Yan Peng, Yiming Zhu.  (2024)  Molecular structure analysis of xanthine alkaloids using terahertz spectroscopy.  JOURNAL OF MOLECULAR SPECTROSCOPY,      [PMID:] [10.1016/j.jms.2024.111936]
25. Meng-Lei Xu, Songning Zhao, Wenshuo Ren, Mengmeng Zhang, Xiao Xia Han, Liang Su, Chengcong Chen, Yunfei Xie, Yu Gao.  (2025)  Photocatalytic degradation of the pesticide pyridaben: Identification of degradation pathways using SERS and GC–MS.  FOOD RESEARCH INTERNATIONAL,      [PMID:39967184] [10.1016/j.foodres.2025.115738]
26. Lihui Xiang, Chen Zhu, Jiajia Qian, Xiaochen Zhou, Miao Wang, Zhenshuo Song, Changsong Chen, Wenquan Yu, Lin Chen, Lanting Zeng.  (2024)  Positive contributions of the stem to the formation of white tea quality-related metabolites during withering.  FOOD CHEMISTRY,      [PMID:38593722] [10.1016/j.foodchem.2024.139173]
27. Xu-Ying Li, Teng Xue, Hong Lai, Jing Dai, Fangda Peng, Fanxi Xu, Junge Zhu, Xian Li, Junya Hu, Wei Li, Raoli He, Lina Chen, Ying Chen, Chunguang Ding, Guoguang Zhao, Xianyang Chen, Qinyong Ye, Zhiheng Xu, Chaodong Wang.  (2024)  Pyruvate is modified by tea/coffee metabolites and reversely correlated with multiple system atrophy and Parkinson's disease.  Heliyon,      [PMID:38434286] [10.1016/j.heliyon.2024.e26588]
28. Yating Guo, Yani Pan, Xinyu Feng, Haowei Guo, Liping Liu, Kexin Zhang, Haojun Xie, Binkai Zhu, Shuying Gong, Qiang Chu, Hua Fang, Ping Chen.  (2025)  Reshaped local microbiology metabolism by raw tea according to pile fermentation in the dark tea.  Journal of Advanced Research,      [PMID:40064439] [10.1016/j.jare.2025.02.039]
29. Detao Li, Wenqian Chen, Limin Zhou, Li Xu, Feiqiang He, Jerry Y Y Heng, Hamza Shehzad, Jinbo Ouyang.  (2024)  Uncovering Cocrystal Formation and Competition Mechanism of Polyhydroxy Natural Products: Cases of Quercetin, Hesperidin, Resveratrol, and Curcumin.  CRYSTAL GROWTH & DESIGN,      [PMID:] [10.1021/acs.cgd.4c00291]
30. Detao Li, Zichen Ning, Zhuoshan Gong, Limin Zhou, Li Xu, Hamza Shehzad, Yan Zhao, Heng Jerry, Jinbo Ouyang.  (2024)  Unraveling the competitive cocrystallization behavior of natural products and impact of intermolecular interactions on their stability.  SEPARATION AND PURIFICATION TECHNOLOGY,      [PMID:] [10.1016/j.seppur.2024.130337]
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