@article{MTMT:3023251, title = {On the enthalpic preference of fragment binding}, url = {https://m2.mtmt.hu/api/publication/3023251}, author = {Ferenczy, György and Keserű, György Miklós}, doi = {10.1039/C5MD00542F}, journal-iso = {MEDCHEMCOMM}, journal = {MEDCHEMCOMM}, volume = {7}, unique-id = {3023251}, issn = {2040-2503}, abstract = {Detailed thermodynamic analysis of fragment binding revealed that unlike drug-like compounds, fragments bind with significant enthalpic preference. This observation is in line with the size dependency of binding enthalpy contributions and is also supported by a large body of experimental data from direct binding thermodynamic measurements. The enthalpy-driven binding of fragments represents a thermodynamic rationale for fragment-based drug discovery programs and suggests guidelines for fragment-based optimization programs.}, year = {2016}, eissn = {2040-2511}, pages = {332-337}, orcid-numbers = {Ferenczy, György/0000-0002-5771-4616} } @article{MTMT:2713158, title = {Chiral analysis of amino acid neurotransmitters and neuromodulators in mouse brain by CE-LIF.}, url = {https://m2.mtmt.hu/api/publication/2713158}, author = {Jakó, Tamás and Szabó, Eszter and Tábi, Tamás and Zachar, Gergely and Csillag, András and Szökő, Éva}, doi = {10.1002/elps.201400224}, journal-iso = {ELECTROPHORESIS}, journal = {ELECTROPHORESIS}, volume = {35}, unique-id = {2713158}, issn = {0173-0835}, abstract = {Chiral CE method has been developed for quantitative determination of d-amino acid modulators of NMDA glutamate receptor; d-serine and d-aspartate along with l-glutamate and l-aspartate in biological samples. These ligands are suggested to be involved in regulation of NMDA receptor related brain functions, such as neurogenesis, neuronal plasticity, and memory formation. For sensitive determination of the amino acids LIF detection was chosen, and a fluorogenic reagent, 7-fluoro-4-nitro-2,1,3-benzoxadiazole was used for derivatization. An amino-modified beta-CD, 6-monodeoxy-6-mono(3-hydroxy)propylamino-beta-CD (HPA-beta-CD) was applied as chiral selector. Determinations were accomplished in a polyacrylamide coated capillary and reverse polarity was used for the analysis of the negatively charged analytes. The method was optimized and validated; 6 mM HPA-beta-CD in 50 mM HEPES buffer, pH 7 was appropriate to achieve baseline separation of the analytes. The limit of quantification with acceptable accuracy is 0.05 muM for both d-amino acids. The method was used for the determination of d-aspartate and d-serine content in various brain regions of adult mice.}, year = {2014}, eissn = {1522-2683}, pages = {2870-2876}, orcid-numbers = {Jakó, Tamás/0000-0002-5319-0448; Szabó, Eszter/0000-0002-9634-2771; Tábi, Tamás/0000-0001-5343-0205; Zachar, Gergely/0000-0003-0350-9585; Csillag, András/0000-0003-2644-0605; Szökő, Éva/0000-0003-1464-6403} } @article{MTMT:1490577, title = {Potentiometric and spectrophotometric pKa determination of water-insoluble compounds: Validation study in a new cosolvent system}, url = {https://m2.mtmt.hu/api/publication/1490577}, author = {Völgyi, Gergely and Ruiz, R and Box, K and Comer, J and Bosch, E and Takácsné Novák, Krisztina}, doi = {10.1016/j.aca.2006.10.015}, journal-iso = {ANAL CHIM ACTA}, journal = {ANALYTICA CHIMICA ACTA}, volume = {583}, unique-id = {1490577}, issn = {0003-2670}, year = {2007}, eissn = {1873-4324}, pages = {418-428}, orcid-numbers = {Völgyi, Gergely/0000-0001-8990-3916; Takácsné Novák, Krisztina/0000-0002-4467-1143} } @article{MTMT:1490592, title = {Multi-wavelength spectrophotometric determination of acid dissociation constants: A validation study}, url = {https://m2.mtmt.hu/api/publication/1490592}, author = {Tam, K Y and Takácsné Novák, Krisztina}, doi = {10.1016/S0003-2670(01)00810-8}, journal-iso = {ANAL CHIM ACTA}, journal = {ANALYTICA CHIMICA ACTA}, volume = {434}, unique-id = {1490592}, issn = {0003-2670}, year = {2001}, eissn = {1873-4324}, pages = {157-167}, orcid-numbers = {Takácsné Novák, Krisztina/0000-0002-4467-1143} }