Article
Chemistry, Multidisciplinary
Hao Li, Xiaomei Song, Pengfei Li, Wen Li, Ting Wang, Liting Qin, Juying Zhou, Fuhou Lei
Summary: In this study, rosin-based polymer microspheres (RPMs) were used as stationary phases in HPLC. Through various analytical techniques, the RPMs were characterized and their separation properties and mechanism for alkaloids were investigated. The results showed that the RPMs have good separation efficiency and thermal stability, making them a promising material for chromatographic applications.
NEW JOURNAL OF CHEMISTRY
(2021)
Article
Chemistry, Physical
Cerasela-Ionela Cleminte, Daniela Ionita, Catalin Lisa, Mariana Cristea, Ioan Mamaliga, Gabriela Lisa
Summary: This study investigates the kinetics of sublimation of caffeine and theophylline using thermogravimetric analysis, and proposes dimensionless equations to calculate mass transfer coefficients within specific temperature ranges.
Article
Engineering, Chemical
Sladana Maric, Ana Jocic, Aleksandar Krstic, Milos Momcilovic, Ljubisa Ignjatovic, Aleksandra Dimitrijevic
Summary: This study aimed to investigate and propose a new integrated extraction technology for valorization of active pharmaceutical ingredients (APIs) from unused/expired pharmaceuticals by using eco-friendly components. The results showed that citrate-based ABS induced the strongest salting-out effect for extracting APIs with high recovery efficiencies, while ionic liquid/PL6200-based ABS was used for fractionating acetaminophen and caffeine towards opposite phases. These findings demonstrate the viability and adjustability of PL6200-based ABSs as a sustainable and efficient alternative platform on a larger scale.
SEPARATION AND PURIFICATION TECHNOLOGY
(2021)
Review
Biochemical Research Methods
Sven Heiles
Summary: Metabolomics and lipidomics are driving forces in the omics era, with tandem mass spectrometry methods playing a crucial role in characterizing the structural details of metabolites and lipids. Recent advancements in alternative tandem MS methodologies aim to provide full structural characterization of these compounds. The review critically examines the principles, capabilities, drawbacks, and initial applications of these advanced tandem mass spectrometry strategies in the fields of metabolomics and lipidomics.
ANALYTICAL AND BIOANALYTICAL CHEMISTRY
(2021)
Article
Food Science & Technology
Ga-Hyun Baek, Sung-Woong Yang, Choong-In Yun, Joon-Goo Lee, Young-Jun Kim
Summary: Analysis of various teas showed different levels of caffeine, theobromine, and theophylline, with Pu-erh tea having the highest caffeine content, and hibiscus tea having the highest theobromine and theophylline content. Daily intake levels of methylxanthines were found to be low compared to recommended levels based on a Korean nutrition survey.
Article
Biochemical Research Methods
Tao Huan, Shipei Xing
Summary: We introduce the BUDDY software for accurately determining the molecular formulae of unknown chemicals in mass spectrometry data. BUDDY is a bottom-up approach that exhibits superior annotation performance on reference spectra and experimental datasets. Integration of global peak annotation could enhance BUDDY's formula annotations and uncover feature interrelationships.
Article
Chemistry, Analytical
Claudia Gimenez-Campillo, Marta Pastor-Belda, Natalia Campillo, Manuel Hernandez-Cordoba, Pilar Vinas
Summary: This study developed and validated an analytical method for the determination of nine NAs in ranitidine drug samples, highlighting the importance of developing analytical methods in detecting potential carcinogens in pharmaceutical products. The method showed quantification limits in the 0.21-21 ng g(-1) range, with satisfactory precision indicated by relative standard deviations lower than 12%.
Article
Biochemistry & Molecular Biology
Floriane Pailleux, Pauline Maes, Michel Jaquinod, Justine Barthelon, Marion Darnaud, Claire Lacoste, Yves Vandenbrouck, Benoit Gilquin, Mathilde Louwagie, Anne-Marie Hesse, Alexandra Kraut, Jerome Garin, Vincent Leroy, Jean-Pierre Zarski, Christophe Bruley, Yohann Coute, Didier Samuel, Philippe Ichai, Jamila Faivre, Virginie Brun
Summary: By utilizing bioinformatics and proteomics, this study identified alcohol dehydrogenase 1B (ADH1B) as a potential blood biomarker for acetaminophen-induced acute liver injury (ALI). Serum ADH1B concentration increased significantly during the acute phase of the disease and returned to normal levels during recovery.
INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES
(2021)
Article
Chemistry, Multidisciplinary
Sarah R. Labas, Juewen Liu
Summary: This study investigates the interactions between caffeine and other compounds with gold nanoparticles (AuNPs). Caffeine and theophylline can protect AuNPs from salt-induced aggregation, while xanthine and paraxanthine destabilize and aggregate the AuNPs. DNA aptamers selected for caffeine and theophylline cannot be directly used for their detection due to adsorption.
Article
Chemistry, Analytical
Bassam Lajin, Natascha Schweighofer, Walter Goessler, Barbara Obermayer-Pietsch
Summary: The developed UHPLC-ESIMS/MS method enables the rapid and sensitive determination of caffeine and paraxanthine in biological samples. It offers a 10-fold improvement in detection limit, rapid chromatographic separation, the use of a green chromatographic solvent, direct determination with little sample preparation, and accuracy ensured by isotopically labeled internal standards and qualifier ions. This method is suitable for large clinical studies and provides multiple advantages over current methods.
Article
Food Science & Technology
Zilin Yu, Huanhuan Deng, Huan Qu, Beibei Zhang, Gaixiang Lei, Junhai Chen, Xiaoguang Feng, Dewen Wu, Youyi Huang, Zhixia Ji
Summary: This study investigated the production of decaffeinated Qingzhuan tea (QZT) by inoculating Penicillium simplicissimum 4-17 into sun-dried green tea for pile fermentation. The results showed that after 21-day fermentation, most quality components in the decaffeinated tea were similar to those in naturally fermented QZT, except for caffeine. The addition of P. simplicissimum 4-17 contributed to high caffeine degradation ability and improved the overall quality of QZT.
LWT-FOOD SCIENCE AND TECHNOLOGY
(2022)
Article
Chemistry, Applied
A. Espinoza Vazquez, I. A. Figueroa, D. Sanchez Molina, F. J. Rodriguez-Gomez, D. Angeles Beltran
Summary: Caffeine and theophylline act as corrosion inhibitors for grey cast iron when combined with the coating Paraloid B-72 in a saline medium, showing good inhibiting capability efficiency and exerting a synergic effect. Theophylline in combination with Paraloid B-72 presents the most stable coating on the metal surface, reducing the corrosive process effectively.
PROGRESS IN ORGANIC COATINGS
(2021)
Article
Chemistry, Physical
M. V. Muftakhov, R. F. Tuktarov
Summary: Intense signals of [M-H](-) ions were detected in the low-energy region of the resonance electron capture mass spectra of xanthine and its methyl derivatives. It was assumed that xanthine molecules can act as radioprotectors in living cells. The discovered release of the carbonyl and methyl groups was concluded to be associated with xanthine metabolism reactions in the tissues of living organisms.
RUSSIAN JOURNAL OF PHYSICAL CHEMISTRY A
(2023)
Article
Biochemical Research Methods
Yoonsung Joh, Kangbae Lee, Hyunwoo Kim, Heejin Park
Summary: A novel approach, called progressive search, efficiently obtains analysis results for updated databases in tandem mass spectrometry. Compared to performing a normal search from scratch, progressive search achieves the same results much faster.
BMC BIOINFORMATICS
(2023)
Article
Chemistry, Analytical
Daoyang Chen, Zhichang Yang, Xiaojing Shen, Liangliang Sun
Summary: Top-down proteomics (TDP) is an ideal approach for deciphering the histone code and requires new analytical tools with high-capacity separation and highly sensitive detection of proteoforms. In this study, capillary zone electrophoresis (CZE) -MS/MS was used to identify a large number of histone proteoforms with higher sensitivity compared to traditional methods.
ANALYTICAL CHEMISTRY
(2021)
Biographical-Item
Pharmacology & Pharmacy
Bernd Meibohm, Vikram Arya
JOURNAL OF CLINICAL PHARMACOLOGY
(2021)
Article
Pharmacology & Pharmacy
Pradeep B. Lukka, Megan Woods, Rebecca Chhim, Stephanie J. Phelps, James W. Wheless, Bernd Meibohm
Summary: Analysis of real-world data indicated that lacosamide dosing should be adjusted based on age to match exposure levels seen in different pediatric age groups, with older children requiring the same dose as recommended for children >= 4 years of age, while younger children and infants may need higher doses.
JOURNAL OF CLINICAL PHARMACOLOGY
(2021)
Article
Chemistry, Medicinal
Zhongzhi Wu, Lubing Gu, Sicheng Zhang, Tao Liu, Pradeep B. Lukka, Bernd Meibohm, John C. Bollinger, Muxiang Zhou, Wei Li
Summary: The study reports a structurally optimized dual MDM2/XIAP inhibitor, leading to the discovery of a more potent analogue against EU-1, which exerts dual targeting effects and can induce cell death. The results suggest that the scaffold based on 14 shows promise for further development as a potential therapeutic agent for leukemia and other cancers.
JOURNAL OF MEDICINAL CHEMISTRY
(2021)
Article
Chemistry, Medicinal
Mercedes Gonzalez-Juarrero, Pradeep B. Lukka, Santosh Wagh, Amanda Walz, Jennifer Arab, Camron Pearce, Zohaib Ali, Josiah T. Ryman, Keyur Parmar, Zaid Temrikar, Juan Munoz-Gutierrez, Gregory T. Robertson, Jiuyu Liu, Anne J. Lenaerts, Charles Daley, Richard E. Lee, Miriam Braunstein, Anthony J. Hickey, Bernd Meibohm
Summary: Spectinamide-1599 shows promise as an inhalational therapy candidate, with significant efficacy and good tolerability in a murine TB model. Compared to oral or intravenous administration, intrapulmonary delivery increases lung exposure and demonstrates superior efficacy.
ACS INFECTIOUS DISEASES
(2021)
Article
Chemistry, Medicinal
Souvik Banerjee, Shalini Yadav, Sourav Banerjee, Sayo O. Fakayode, Jyothi Parvathareddy, Walter Reichard, Surekha Surendranathan, Foyez Mahmud, Ryan Whatcott, Joshua Thammathong, Bernd Meibohm, Duane D. Miller, Colleen B. Jonsson, Kshatresh Dutta Dubey
Summary: This study utilized pharmacophore and molecular modeling-based screening to identify potential antiviral drugs, with molecular dynamics simulations revealing three drugs with promising interactions with the SARS-CoV-2 M-pro active site. The results suggest Glu166 as an interesting target for structure-based drug design.
JOURNAL OF CHEMICAL INFORMATION AND MODELING
(2021)
Article
Virology
Colleen B. Jonsson, Jennifer E. Golden, Bernd Meibohm
Summary: There is a critical need for effective DAAs in the current pandemic, with early-stage DAAs helping to reduce the spread and duration of symptoms of COVID-19. However, navigating the challenges and risks of novel small molecule discovery remains a key consideration in accelerating the development of new, safe, and oral DAAs.
CURRENT OPINION IN VIROLOGY
(2021)
Article
Pharmacology & Pharmacy
Bernd Meibohm
Summary: Therapeutic proteins such as monoclonal antibodies and hormone analogs are increasingly important in pediatric pharmacotherapy, but there are knowledge gaps in understanding the processes governing their disposition in children. The article highlights three receptor systems as examples and emphasizes the priority of addressing these gaps for the development of pediatric drugs nationally and globally.
FRONTIERS IN PHARMACOLOGY
(2022)
Article
Oncology
Shanshan Deng, Raisa I. Krutilina, Kelli L. Hartman, Hao Chen, Deanna N. Parke, Rui Wang, Foyez Mahmud, Dejian Ma, Pradeep B. Lukka, Bernd Meibohm, Tiffany N. Seagroves, Duane D. Miller, Wei Li
Summary: The study demonstrates the potential of CH-2-77 as a promising tubulin inhibitor for the treatment of triple-negative breast cancer. CH-2-77 inhibits cancer cell proliferation, disrupts microtubule assembly, and induces cell apoptosis. In vivo experiments show that CH-2-77 effectively suppresses tumor growth and prevents lung metastasis. These findings highlight the importance of further developing CH-2-77 as an anticancer agent.
MOLECULAR CANCER THERAPEUTICS
(2022)
Review
Pharmacology & Pharmacy
Zaid H. Temrikar, Jennifer E. Golden, Colleen B. Jonsson, Bernd Meibohm
Summary: The US FDA's Animal Rule provides a pathway for drug approval in serious or life-threatening conditions where traditional clinical trials are not feasible. This review discusses the challenges in translating data from in vitro and animal models to human dosing for antimicrobials.
CLINICAL PHARMACOKINETICS
(2023)
Article
Immunology
Zaid H. Temrikar, Sunitha Kodidela, Santosh Kumar, Jiuyu Liu, Gregory T. Robertson, Richard E. Lee, Anthony J. Hickey, Mercedes Gonzalez-Juarrero, Bernd Meibohm
Summary: Spectinamides are a novel series of spectinomycin analogs being developed for the treatment of tuberculosis. Spectinamide 1599, the preclinical lead, shows strong efficacy against tuberculosis with good pharmacokinetic properties and excellent safety profiles. It is more effective against log phase bacteria compared to other resistant forms, similar to the established antituberculosis drug isoniazid.
Article
Pharmacology & Pharmacy
Keyur R. Parmar, Pradeep B. Lukka, Santosh Wagh, Zaid H. Temrikar, Jiuyu Liu, Richard E. Lee, Miriam Braunstein, Anthony J. Hickey, Gregory T. Robertson, Mercedes Gonzalez-Juarrero, Andrea Edginton, Bernd Meibohm
Summary: Spectinamides 1599 and 1810 are being developed as potential treatments for multidrug-resistant and extensively drug-resistant tuberculosis. A physiologically based pharmacokinetic (PBPK) model has been developed to predict the pharmacokinetics of these compounds in various tissues, including those relevant to tuberculosis infection. The model accurately predicts the drug exposure in mice and rats, and can be used to optimize the dosing regimens.
Article
Pharmacology & Pharmacy
Robin Michelet, Linda B. S. Aulin, Jens M. M. Borghardt, Teresa Dalla Costa, Paolo Denti, Manuel Ibarra, Guangda Ma, Bernd Meibohm, Goonaseelan (Colin) Pillai, Stephan Schmidt, Stefanie Hennig, Charlotte Kloft
CPT-PHARMACOMETRICS & SYSTEMS PHARMACOLOGY
(2023)
Article
Chemistry, Medicinal
Madison N. Sluter, Rajib Bhuniya, Xinrui Yuan, Andhavaram Ramaraju, Yu Chen, Ying Yu, Keyur R. Parmar, Zaid H. Temrikar, Ashish Srivastava, Bernd Meibohm, Jianxiong Jiang, Chao-Yie Yang
Summary: Our findings showed that our thiazole-based mPGES-1 inhibitors, UT-11 and compound 19, were able to suppress PGE2 production in human and murine cells. We selected UT-11 for evaluation in a lipopolysaccharide (LPS)-induced inflammation model based on in vitro and in vivo pharmacokinetic data. Our compound significantly suppressed proinflammatory cytokines and chemokines in the hippocampus, indicating its potential in treating neuroinflammatory conditions.
ACS PHARMACOLOGY & TRANSLATIONAL SCIENCE
(2023)
Article
Chemistry, Medicinal
Satyanarayana Pochampally, Kelli L. Hartman, Rui Wang, Jiaxing Wang, Mi-Kyung Yun, Keyur Parmar, Hyunseo Park, Bernd Meibohm, Stephen W. White, Wei Li, Duane D. Miller
Summary: A new compound that inhibits cancer cell proliferation has been discovered and shows high anticancer activity and a long half-life. It exhibits significant potency against a wide range of cancer cell lines and has the potential for further preclinical evaluation as a candidate for development.
ACS PHARMACOLOGY & TRANSLATIONAL SCIENCE
(2023)
Article
Chemistry, Medicinal
Satyanarayana Pochampally, Kelli L. Hartman, Rui Wang, Jiaxing Wang, Mi-Kyung Yun, Keyur Parmar, Hyunseo Park, Bernd Meibohm, Stephen W. White, Wei Li, Duane D. Miller
Summary: By modifying the pyrimidine dihydroquinoxalinone scaffold, we discovered a new tubulin-polymerization inhibitor, compound 12k, that exhibited potent anticancer activity and significant tumor growth inhibition in vivo.
ACS PHARMACOLOGY & TRANSLATIONAL SCIENCE
(2023)
Article
Medical Laboratory Technology
Jiansheng Lin, Weihua Lin, Yiming Lin, Weilin Peng, Zhenzhu Zheng
Summary: This study retrospectively analyzed the cases of Chinese infants with NICCD and identified multiple genetic mutations. The study also found comorbidity of NICCD and other inborn errors of metabolism in some patients.
CLINICA CHIMICA ACTA
(2024)
Review
Medical Laboratory Technology
Lihua Guan, Wei Su, Jian Zhong, Ling Qiu
Summary: Multiple myeloma is characterized by excessive production of monoclonal immunoglobulins. Routine screening methods are insufficient for detecting low levels of M proteins, but advances in mass spectrometry enable reliable detection of low abundance serum biomarkers for minimal residual disease assessment in multiple myeloma.
CLINICA CHIMICA ACTA
(2024)
Article
Medical Laboratory Technology
Liya Zhu, Chao Zhu, Jialie Jin, Jinxin Wang, Xiaojing Zhao, Rongxi Yang
Summary: This study found an association between blood-based ITGB2 methylation and coronary heart disease (CHD), with hypomethylation of ITGB2 being a risk factor for CHD. Additionally, the combination of ITGB2 methylation and conventional CHD risk factors could efficiently discriminate CHD patients from controls.
CLINICA CHIMICA ACTA
(2024)
Article
Medical Laboratory Technology
H. Al Habobe, E. B. Haverkort, K. Nazmi, A. P. Van Splunter, R. H. H. Pieters, F. J. Bikker
Summary: Saliva diagnostics have become popular due to their non-invasive nature and patient-friendly collection process. However, the choice of saliva collection method can affect the measured levels of various biomarkers.
CLINICA CHIMICA ACTA
(2024)
Article
Medical Laboratory Technology
Abdurrahman Coskun, Anna Carobene, Ozlem Demirelce, Michele Mussap, Federica Braga, Ebru Sezer, Aasne Karine Aarsand, Sverre Sandberg, Pilar Fernandez Calle, Jorge Diaz-Garzon, Metincan Erkaya, Cihan Coskun, Esila Nur Erol, Hunkar Dag, Bill Bartlett, Mustafa Serteser, Niels Jonker, Ibrahim Unsal
Summary: In this study, BV estimates for 22 AAs were provided based on a large sample size, and it was found that there are differences in CVI estimates between males and females for most AAs, which has implications for the clinical interpretation and use of AAs.
CLINICA CHIMICA ACTA
(2024)
Review
Medical Laboratory Technology
Valentinus Besin, Farizky Martriano Humardani, Trilis Yulianti, Matthew Justyn
Summary: The study of Parkinson's Disease in Asian populations has revealed the impact of genetic variants on multiple biological pathways and highlighted shared genetic susceptibility with other diseases. These findings emphasize the importance of personalized treatment based on individual genetic profiles.
CLINICA CHIMICA ACTA
(2024)
Review
Medical Laboratory Technology
Simona Ferraro, Sara Benedetti, Savina Mannarino, Santica Marcovina, Elia Mario Biganzoli, Gianvincenzo Zuccotti
Summary: Risk stratification for cardio-vascular disease should be implemented in childhood to promote early prevention strategies, as atherosclerotic lesions can be present even in very young individuals. Evaluating pediatric CV risk factors/clinical conditions and conducting lipid profile and genetic testing can help identify children at risk of future CV events and guide appropriate therapeutic options.
CLINICA CHIMICA ACTA
(2024)
Review
Medical Laboratory Technology
Ahmad Mobed, Bita Abdi, Sajjad Masoumi, Mohammad Mikaeili, Elham Shaterian, Hamed Shaterian, Esmat Sadat Kazemi, Mahdiye Shirafkan
Summary: Reproductive biomarkers play important regulatory roles in women. The discovery and quantification of these biomarkers are clinically significant. Various detection strategies, including nanotechnology-based methods, have been developed. This article provides an in-depth introduction to the latest advances in biosensor and nanosensor research for detecting and quantitatively identifying reproductive biomarkers.
CLINICA CHIMICA ACTA
(2024)
Article
Medical Laboratory Technology
Chengfang Tang, Fang Tang, Yanna Cai, Minyi Tan, Sichi Liu, Ting Xie, Xiang Jiang, Yonglan Huang
Summary: This study proposes an effective method for screening X-ALD and evaluates the performance of newborn screening for X-ALD in Guangzhou. The LC-MS/MS method can accurately identify X-ALD through analysis of C26:0-LPC.
CLINICA CHIMICA ACTA
(2024)
Article
Medical Laboratory Technology
Lan Liu, Jiamin Wang, Xijing Liu, Jing Wang, Lin Chen, Hongmei Zhu, Jingqun Mai, Ting Hu, Shanling Liu
Summary: The 16p11.2 deletion is a common genetic cause of neurodevelopmental disorders, with prenatal and postnatal presentations including vertebral malformations and language impairment. The majority of deletions are de novo and may be associated with MAPK3 and histidine-associated metabolism.
CLINICA CHIMICA ACTA
(2024)
Article
Medical Laboratory Technology
Sneha Venkatesalu, Shanmugapriya Dilliyappan, Avanthika Satish Kumar, Thirunavukkarasu Palaniyandi, Gomathy Baskar, Maddaly Ravi, Asha Sivaji
Summary: Microfluidics is a science and technology that deals with less sample-to-more precision in vitro analysis. It has wide applications in cancer theranostics, enabling precise diagnosis and personalized treatment.
CLINICA CHIMICA ACTA
(2024)
Review
Medical Laboratory Technology
Yuanqin Zhao, Wei Deng, Zhaoyue Wang, Yanxia Wang, Hongyu Zheng, Kun Zhou, Qian Xu, Le Bai, Huiting Liu, Zhong Ren, Zhisheng Jiang
Summary: The cardiovascular system and the central nervous system exhibit a coordinated developmental process during embryonic development. Congenital heart disease (CHD) is the most common congenital disorder, and neurodevelopmental disorders (NDD) are common complications in CHD patients. Both genetic and non-genetic factors contribute to the co-occurrence of CHD and NDD. Further research should focus on identifying common molecular mechanisms underlying this co-occurrence and promoting the research and treatment of developmental disorders related to the cardiovascular and central nervous systems.
CLINICA CHIMICA ACTA
(2024)
Article
Medical Laboratory Technology
Karol Gostomczyk, Ewelina Lukaszewska, Jedrzej Borowczak, Anita Bator, Marek Zdrenka, Magdalena Bodnar, Lukasz Szylberg
Summary: Flow cytometry improves the detection of epithelial cancer cells in peritoneal and pleural fluids compared to conventional cytology. Due to similar speciflcity and higher sensitivity, flow cytometry offers a promising alternative to cytology for patient screening.
CLINICA CHIMICA ACTA
(2024)
Article
Medical Laboratory Technology
Heping Tian, Genghuan Wang, Qi Zhong, Haihang Zhou
Summary: This study found that the decline of serum ITIH4 concentrations during the early phase after aneurysmal subarachnoid hemorrhage (aSAH) was closely related to the severity and poor prognosis of the disease. Serum ITIH4 may represent a promising prognostic biomarker of aSAH.
CLINICA CHIMICA ACTA
(2024)
Article
Medical Laboratory Technology
Xueting Zhu, Yang Yu, Jun Zhang, Yuxia Zhan, Guanghua Luo, Lu Zheng
Summary: This study successfully established a 2D-PCR method for identifying HLA-B*15:02 through a two-tube reaction. This method can distinguish HLA-B*15:02 from 16 highly homologous HLA-B*15 alleles. Among 1830 samples from the clinical general population, 3 HLA-B*15:02 homozygotes and 84 HLA-B*15:02 heterozygotes were detected.
CLINICA CHIMICA ACTA
(2024)