Quantum Chemical Mass Spectral Predictions of Novichok Agents after Experimental Validation and Analysis

Συγγραφείς: Kim, Sungsoo^aff1, Shin, Moon Sik^aff2, Hong, Seonghoon^aff2, Moon, Janghyuk^aff1, Jo, Seungbum^aff3, Jeong, Keunhong^aff4

Πηγή: ACS Measurement Science Au. 5(3):378-387

Διαθεσιμότητα: https://pubs.acs.org/doi/10.1021/acsmeasuresciau.5c00026

Evaluation of a New Chemical Label BASA: A Comparison with Gold Standards

Συγγραφείς: Monteiro, Jérémy, Ple, Karen, Lefèvre, Antoine, Marzag, Hamid, Blondeau, Benjamin, Dupuy, Camille, Oury, Adeline, Routier, Sylvain, Nadal-Desbarats, Lydie, Emond, Patrick

Συνεισφορές: Nadal-Desbarats, Lydie

Πηγή: Analytical Chemistry. 97:14956-14963

Θεματικοί όροι: negative ionization, LC-MS², [CHIM.ANAL] Chemical Sciences/Analytical chemistry, derivatization, fragmentation pattern, metabolomics, [SDV.BBM.BC] Life Sciences [q-bio]/Biochemistry, Molecular Biology/Biochemistry [q-bio.BM]

Περιγραφή αρχείου: application/pdf

Σύνδεσμος πρόσβασης: https://hal.science/hal-05164774v1/document
https://hal.science/hal-05164774v1
https://doi.org/10.1021/acs.analchem.5c00096

IodoFinder: Machine Learning-Guided Recognition of Iodinated Chemicals in Nontargeted LC-MS/MS Analysis

Συγγραφείς: Zhao, Tingting^aff1, Shen, Qiming^aff2, Li, Xing-Fang^aff2, Huan, Tao^aff1

Πηγή: Environmental Science & Technology. 59(9):4530-4539

Διαθεσιμότητα: https://pubs.acs.org/doi/10.1021/acs.est.4c12698

Mass Spectrometry Identification and Computational Chemistry Study of Fluoromethcathinone Isomers

Συγγραφείς: Xiao-wei LI, Xiang-li LIN, Xuan-yu ZHOU, Xing KE, Yi-lei FAN, Yu XU, Jia-wei XU

Πηγή: Zhipu Xuebao, Vol 46, Iss 4, Pp 523-530 (2025)

Θεματικοί όροι: new psychoactive substances, fluoromethcathinone, fragmentation pattern, positional isomer, computational chemistry, Chemistry, QD1-999

Περιγραφή αρχείου: electronic resource

Relation: https://doaj.org/toc/1004-2997

Σύνδεσμος πρόσβασης: https://doaj.org/article/02e1214567f54c2686531f3d8e87c11f

Microbiome and fragmentation pattern of blood cell-free DNA and fecal metagenome enhance colorectal cancer micro-dysbiosis and diagnosis analysis: a proof-of-concept study

Συγγραφείς: Zhongkun Zhou, Yunhao Ma, Dekui Zhang, Rui Ji, Yiqing Wang, Jianfang Zhao, Chi Ma, Hongmei Zhu, Haofei Shen, Xinrong Jiang, Yuqing Niu, Juan Lu, Baizhuo Zhang, Lixue Tu, Hua Zhang, Xin Ma, Peng Chen

Πηγή: mSystems
mSystems, Vol 10, Iss 5 (2025)

Θεματικοί όροι: Male, Adenoma, Adult, diagnosis, Microbiota, microbiome, colorectal cancer, Middle Aged, fragmentation pattern, Microbiology, Proof of Concept Study, QR1-502, Gastrointestinal Microbiome, cell-free DNA, Feces, Humans, Metagenome, Dysbiosis, Female, Colorectal Neoplasms, Cell-Free Nucleic Acids, Research Article, Aged

Σύνδεσμος πρόσβασης: https://pubmed.ncbi.nlm.nih.gov/40298367
https://doaj.org/article/91130526c10c4a99845b9919ff4465c3

Assessing of driving factors and change detection of mangrove forest in Kubu Raya District, Indonesia

Συγγραφείς: Rinto Wiarta, Rato Firdaus Silamon, Mohammed Ishag Arbab, Muhammad Tariq Badshah, Umer Hayat, Jinghui Meng

Πηγή: Frontiers in Forests and Global Change, Vol 8 (2025)

Θεματικοί όροι: Environmental sciences, driving factor, Indonesia, Forestry, GE1-350, Kubu Raya District, SD1-669.5, changes detection, fragmentation pattern, mangrove forest

Σύνδεσμος πρόσβασης: https://doaj.org/article/9ceac1b000954b00b9cc2edee5206f93

Transformative knowledge of polar polycyclic aromatic hydrocarbons via high-resolution mass spectrometry

Συγγραφείς: Nakken, Charlotte L. ^{a, b, ⁎}, Sørhus, Elin ^b, Holmelid, Bjarte ^a, Meier, Sonnich ^b, Mjøs, Svein A. ^a, Donald, Carey E. ^b

Πηγή: In Science of the Total Environment 15 January 2025 960

Identification of Chemical Components of Danggui Sini Granules by UHPLC-Q-Orbitrap/MS

Συγγραφείς: Qian-chi GUO, Kang-yu WANG, Ling-yue ZHANG, Yun-long GUO, Ji-yu GONG, Wen-yi GAO

Πηγή: Zhipu Xuebao, Vol 45, Iss 3, Pp 432-446 (2024)

Θεματικοί όροι: classic prescription, danggui sini granules, ultra-high performance liquid chromatography-quadrupole-electrostatic field orbitrap mass spectrometry (uhplc-q-orbitrap/ms), chemical constituents, fragmentation pattern, Chemistry, QD1-999

Περιγραφή αρχείου: electronic resource

Relation: https://doaj.org/toc/1004-2997

Σύνδεσμος πρόσβασης: https://doaj.org/article/1f9e76fb5d6a421fbc51b5cb4dc00d10

CD133 and CD166 Stem Cells Markers Expression, Clinicopathological Parameters, and Fragmentation Response Patterns of ypT3 Rectal Cancer Following Neoadjuvant Chemoradiotherapy

Συγγραφείς: Diana Lavinia Pricope, Adriana Grigoraș, Gabriel Mihail Dimofte, Cristina Terinte, Cornelia Amalinei

Πηγή: Biomedicines, Vol 13, Iss 6, p 1300 (2025)

Θεματικοί όροι: rectal cancer, ypT3 stage, neoadjuvant chemoradiotherapy, fragmentation pattern, CD133, CD166, Biology (General), QH301-705.5

Περιγραφή αρχείου: electronic resource

Relation: https://www.mdpi.com/2227-9059/13/6/1300; https://doaj.org/toc/2227-9059

Σύνδεσμος πρόσβασης: https://doaj.org/article/07bb081017f141c5b55a657defc595cb

HPLC-HRESI-MSn Characterization of Polyphenolic Compounds in the Stem Bark of Chlorophora regia A. Chev (Moraceae)

Συγγραφείς: James Oppong-Kyekyeku, Samuel Oppong Bekoe, Edmund Ekuadzi, John Nii Adotey Addotey, Samuel Asare-Nkansah

Πηγή: Journal of Tropical Pharmacy and Chemistry, Vol 6, Iss 2 (2022)

Θεματικοί όροι: RS1-441, Chlorophora regia, Chemistry, Pharmacy and materia medica, polyphenolic compounds, HPLC-HRESI-MS/MS, fragmentation pattern, QD1-999

Σύνδεσμος πρόσβασης: https://doaj.org/article/7936451560c740e4be041fbd7abfe6cf

Structural annotation and discovery of toxic cyclopeptides and their analogues in lethal mushroom Amanita and Lepiota species using UPLC-HRMS and molecular networking strategy

Συγγραφείς: Zhao, Zhiyong ^{a, 1}, E, Hengchao ^{a, 1}, Tian, Enjing ^b, Fan, Tingting ^a, Yang, Xianli ^a, Li, Xiaobei ^a, Zhang, Yanmei ^a, Li, Xujiao ^a, Chen, Ailiang ^c, Zhou, Changyan ^{a, ∗∗}, Zhao, Xiaoyan ^{a, ∗}

Πηγή: In Food Control April 2023 146

An investigation into oxidation-induced fragmentation of soot aggregates by Langevin dynamics simulations

Συγγραφείς: Qian, Weijia ^{a, e}, Hui, Xin ^{b, ⁎}, Wang, Bosen ^{b, ⁎}, Kronenburg, Andreas ^c, Sung, Chih-Jen ^d, Lin, Yuzhen ^b

Πηγή: In Fuel 15 February 2023 334 Part 1

LC and LC-MS/MS studies for identification and characterization of degradation products of d-tubocurarine chloride

Συγγραφείς: Grover, Parul ^{a, 1}, Maheshwari, Srashti ^{a, 1}, Nagarajan, K. ^a, Mehta, Lovekesh ^{b, ⁎}, Kumar, Sandeep ^c, Rastogi, Chandan ^d

Πηγή: In Journal of Pharmaceutical and Biomedical Analysis 20 January 2023 223

Fragmentation Patterns of Phenolic C-Glycosides in Mass Spectrometry Analysis

Συγγραφείς: Ting Du, Yang Wang, Huan Xie, Dong Liang, Song Gao

Πηγή: Molecules, Vol 29, Iss 13, p 2953 (2024)

Θεματικοί όροι: phenolic C-glycosides, MS/MS, fragmentation pattern, UPLC-QTOF-MS, Organic chemistry, QD241-441

Relation: https://www.mdpi.com/1420-3049/29/13/2953; https://doaj.org/toc/1420-3049; https://doaj.org/article/554fc592607d489d92c5be59b57c1f43

Διαθεσιμότητα: https://doi.org/10.3390/molecules29132953
https://doaj.org/article/554fc592607d489d92c5be59b57c1f43

Identification and characterization of forced degradation products of sertraline hydrochloride using UPLC, ultra-high-performance liquid Chromatography-Quadrupole-Time of flight mass spectrometry (UHPLC-Q-TOF/MS/MS) and NMR

Συγγραφείς: Grover, Parul ^{a, 1, ⁎}, Bhardwaj, Monika ^{b, 1}, Mukherjee, Debaraj ^b

Πηγή: In Journal of Pharmaceutical and Biomedical Analysis 30 November 2022 221

QToF exact mass and ESI fragmentation of bioactive Amaryllidaceae alkaloids

Συγγραφείς: Torras Claveria, Laura, Berkov, Strahil, Viladomat Meya, Francesc, Bastida Armengol, Jaume

Πηγή: Articles publicats en revistes (Biologia, Sanitat i Medi Ambient)
Dipòsit Digital de la UB
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Θεματικοί όροι: Alkaloids, Amaril·lidàcies, Amaryllidaceae alkaloids, Amaryllidaceae, Alcaloides, high resolution ESI-MS/MS, fragmentation pattern, 01 natural sciences, 3. Good health, 0104 chemical sciences

Περιγραφή αρχείου: application/pdf

Σύνδεσμος πρόσβασης: https://hdl.handle.net/2445/207851
https://pubag.nal.usda.gov/catalog/6915889
https://www.sciencedirect.com/science/article/abs/pii/S0254629920303756
http://hdl.handle.net/2445/207851

Use of mass spectrometry as a tool for the search or identification of flavonoids in Urticaceae

Συγγραφείς: Fernanda Manhães Braga Gonçalves, Adriana Lima de Sousa, Rodrigo Rodrigues de Oliveira

Πηγή: Rodriguésia, Vol 74 (2023)

Θεματικοί όροι: chemical profile, fragmentation pattern, LC-MS, phenolic acid, phytochemical, Biology (General), QH301-705.5, Botany, QK1-989

Περιγραφή αρχείου: electronic resource

Relation: http://www.scielo.br/scielo.php?script=sci_arttext&pid=S2175-78602023000100602&lng=en&tlng=en; http://www.scielo.br/pdf/rod/v74/0370-6583-rod-74-e01152022.pdf; https://doaj.org/toc/2175-7860

Σύνδεσμος πρόσβασης: https://doaj.org/article/62f3a0aae02c424092eca179001603e5

LC-MS/MS studies for identification and characterization of new forced degradation products of dabrafenib and establishment of their degradation pathway

Συγγραφείς: Grover, Parul ^{a, ⁎, 1}, Bhardwaj, Monika ^{b, 1}, Mehta, Lovekesh ^c

Πηγή: In Journal of Pharmaceutical and Biomedical Analysis 30 November 2021 206

LC and LC–MS/MS studies for identification and characterization of new degradation products of ibrutinib and elucidation of their degradation pathway

Συγγραφείς: Mehta, Lovekesh ^{a, b, ⁎}, Naved, Tanveer ^a, Grover, Parul ^c, Bhardwaj, Monika ^{d, e}, Mukherjee, Debaraj ^d

Πηγή: In Journal of Pharmaceutical and Biomedical Analysis 5 February 2021 194

Development of a fragmentation pattern of synthetic cannabinoids based on electrospray ionization mass spectrometry in positive ion mode to screen synthetic cannabinoids in illicit products

Συγγραφείς: Fan, Yilei ^{a, c}, Zong, Xingsen ^a, Liu, Jiwu ^b, Ke, Xing ^a, Huang, Zhongping ^d, Xu, Yu ^{b, ⁎}

Πηγή: In Journal of Pharmaceutical and Biomedical Analysis 30 January 2021 193