Article
Geochemistry & Geophysics
Katelyn M. Schockman, Robert H. Byrne
Summary: The study emphasizes the significance of CO2 system in seawater and oceans and the importance of dissociation constants related to pH. It improves the accuracy of calculations by experimentally determining K1K2 and obtaining a new pK(2) parameterization, which shows better consistency and reduced uncertainty compared to previous characterizations. The new K-2 parameterization provides the most precise characterization of bicarbonate dissociation constant for open ocean conditions.
GEOCHIMICA ET COSMOCHIMICA ACTA
(2021)
Review
Chemistry, Analytical
Yichen Zhao, Kayvan Yavari, Juewen Liu
Summary: Over the past three decades, aptamer-based biosensors have been extensively studied. This article reviews recent papers that question the binding ability of popular aptamers and provides insights into the reasons for false positive results. It also highlights the importance of carefully designed controls and immobilized libraries for obtaining high-quality aptamers. The findings emphasize the need for validated aptamers in order to achieve meaningful results in biosensor design.
TRAC-TRENDS IN ANALYTICAL CHEMISTRY
(2022)
Article
Biochemistry & Molecular Biology
Emil Bjorklund, Anna du Rietz, Patrik Lundstrom
Summary: PLIS is an open-source software for determination of protein-ligand dissociation constants, which can be used to characterize biological processes or to shed light on biophysical aspects of interactions. In addition to analyzing experimental data, PLIS includes functionality for generating synthetic data, useful for understanding how different parameters affect the data in order to better analyze experiments.
Article
Chemistry, Physical
Jehan Y. Al-Humaidi, Mohamed Y. El-Sayed, Moamen S. Refat, Tariq A. Altalhi, Hala H. Eldaroti
Summary: The study explores the extensive application of thiazolidine (TZD) loop heterogeneous systems in physiological medical conditions and investigates its charge transfer interactions with organic molecules. Verification of these interactions was done through methods such as elemental analysis and spectroscopic analysis, and relevant physical data was calculated using the Benesi-Hildebrand equation.
JOURNAL OF MOLECULAR LIQUIDS
(2021)
Article
Chemistry, Multidisciplinary
Guoao Li, Yaling Wang, Chengyi Sun, Fei Liu
Summary: The acid dissociation constant (pKa) of piperacillin was determined using potentiometric titration and electrospray ionization mass spectrometry (ESI-MS), which revealed two microscopic pKa values (3.37 and 8.96) corresponding to direct dissociation of the carboxylic acid group and one secondary amide group, respectively. Unlike other beta-lactam antibiotics, piperacillin undergoes direct dissociation instead of protonation dissociation. Additionally, the degradation tendency of piperacillin in alkaline solution can alter the dissociation pattern or eliminate the corresponding pKa values of amphoteric beta-lactam antibiotics. This study provides reliable determination of piperacillin's acid dissociation constant and a clear interpretation of how antibiotic stability affects the dissociation process.
FRONTIERS IN CHEMISTRY
(2023)
Article
Chemistry, Physical
Mohammad Kazem Rofouei, Jahan B. Ghasemi, Leila Arjomandi-Behzad, Hassan Behnejad
Summary: The complexation reactions of Hg2+, Pb2+, Zn2+, and Cd2+ cations with newly synthesized triazene ligands were studied in nonaqueous solvents. The results showed that the properties of the solvents and the shape of solvent molecules played important roles in the complex stability. Furthermore, a linear relationship between the formation constants and temperature was observed, and entropy-enthalpy compensation was found in the complexation reactions.
JOURNAL OF MOLECULAR LIQUIDS
(2022)
Article
Chemistry, Physical
Anze Bozic, Rudolf Podgornik
Summary: This study extends the Kirkwood-Shumaker theory to proteins with anisotropic distributions of dissociable charges, showing that the fluctuations of the total charge and total dipole moment depend on the same proton occupancy correlator and exhibit similar dependencies on solution pH. This has significant implications for the Kirkwood-Shumaker interaction and its sensitivity to solution conditions.
JOURNAL OF PHYSICAL CHEMISTRY B
(2021)
Article
Spectroscopy
Sunita Prajapati, Subrata Jana
Summary: Recognition of metal ions in aqueous media is important for designing new supramolecular hosts. The binding behavior of three simple chalcones with variation in number of phenolic OH groups has been studied. The chalcones showed good binding capabilities towards metal ions in a CH3OH-H2O solvent system, with R1 and R2 exhibiting 2:1 mode of complexation and R3 forming 1:1 mode complexes using a carbonyl 'O' atom as the donor site.
SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY
(2023)
Article
Chemistry, Medicinal
Dominik Sikorski, Karolina Gzyra-Jagiela, Zbigniew Draczynski
Summary: This study compared chitosan degradation in organic acid solutions with different dissociation characteristics. The aim was to determine the kinetics of degradation based on acid dissociation constants. Results can be important for electrospinning, production of micro- and nano-capsules, and other processing applications.
Article
Chemistry, Physical
Ola R. Shehab, Ahmed M. Mansour
Summary: This study prepared a series of benzimidazole derivatives with different substituents and tested their antimicrobial activity, showing that substituents greatly affect antibacterial activity and spectroscopic data. The relationship between substituents and electron structure can be explained by chemical parameters.
JOURNAL OF MOLECULAR STRUCTURE
(2021)
Article
Chemistry, Analytical
Erdal Dinc, Faysal Selimoglu, Nazangul Unal, Zehra Ceren Ertekin
Summary: New spectrophotometric approaches based on PARAFAC and MCR-ALS were described for the simultaneous determination of acid dissociation constants of phenolics in this study, providing alternatives for solving problems that cannot be determined by classical methods.
ANALYTICAL LETTERS
(2021)
Article
Biochemistry & Molecular Biology
Qing Huang, RuiQin Gu, Yunong Zhao, Huibing Fu, Huan Liu
Summary: Electrochemical sensors incorporating immunoassay principles were used to monitor antigen-antibody interactions in real time. A gold electrode modified with SnO2 QWs and coated with MC-LR antibody was passivated with BSA. The binding of MC-LR antigen to the antibody on the electrode's surface triggered electrochemical reactions and generated electrical signals, demonstrating the potential of electrochemical biosensing technology.
BIOELECTROCHEMISTRY
(2023)
Article
Rheumatology
Colin R. Dormuth, Anat Fisher, Marie Hudson, Peter C. Austin, Pierre Ernst, Lauren Bresee, Dan Chateau, Hala Tamim, J. Michael Paterson, Jean Philippe Lafrance, Regina M. Taylor-Gjevre, Robert W. Platt
Summary: The study evaluated the impact of concurrent use of conventional synthetic DMARDs on adherence, switching and dose of biologic DMARDs in rheumatoid arthritis patients. Results showed that concomitant csDMARD therapy was not significantly associated with reduced discontinuation or switching of bDMARD treatment, but was associated with a small increase in bDMARD dose compared to the initial dose.
SEMINARS IN ARTHRITIS AND RHEUMATISM
(2021)
Article
Chemistry, Applied
Wenfei Xiong, Ya Li, Cong Ren, Jing Li, Bin Li, Fang Geng
Summary: Investigating the thermodynamic parameters in the formation process of protein-polysaccharide complex coacervates is crucial for understanding the binding mechanism. pH, salt ion strength, and temperature were found to influence the thermodynamic parameters of gelatin (G)-pectin (P) complex coacervation. The binding between G and P involves electrostatic bonding, hydrogen bonding, and hydrophobic interactions.
FOOD HYDROCOLLOIDS
(2021)
Article
Automation & Control Systems
Nathanael P. Kazmierczak, Joyce A. Chew, Douglas A. Vander Griend
Summary: This paper presents a new and reliable algorithm for determining the binding stoichiometry in chemometrics. By simultaneously optimizing the stoichiometric ratios and binding constants, the algorithm can calculate the optimal binding model efficiently. Simulated and experimental data studies demonstrate the robustness and reliability of the algorithm.
JOURNAL OF CHEMOMETRICS
(2022)
Article
Thermodynamics
Milan Meloun, Zuzana Ferencikova
FLUID PHASE EQUILIBRIA
(2012)
Article
Thermodynamics
Milan Meloun, Zuzana Ferencikova, Ales Vrana
JOURNAL OF CHEMICAL AND ENGINEERING DATA
(2010)
Article
Thermodynamics
Milan Meloun, Zuzana Ferencikova, Lucie Netolicka, Tomas Pekarek
JOURNAL OF CHEMICAL AND ENGINEERING DATA
(2011)
Article
Thermodynamics
Milan Meloun, Zuzana Ferencikova, Martin Kastanek, Ales Vrana
JOURNAL OF CHEMICAL AND ENGINEERING DATA
(2011)
Article
Thermodynamics
Milan Meloun, Zuzana Ferencikova, Ales Vrana
JOURNAL OF CHEMICAL THERMODYNAMICS
(2011)
Article
Chemistry, Physical
Milan Meloun, Zuzana Ferencikova, Eva Vaverkova, Tomas Pekarek
JOURNAL OF SOLUTION CHEMISTRY
(2012)
Article
Spectroscopy
Milan Meloun, Zuzana Ferencikova, Milan Javurek
SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY
(2012)
Article
Chemistry, Multidisciplinary
Milan Meloun, Zuzana Ferencikova, Lucie Netolicka, Ales Vrana
CENTRAL EUROPEAN JOURNAL OF CHEMISTRY
(2011)
Article
Chemistry, Multidisciplinary
Milan Meloun, Zuzana Ferencikova, Hana Malkova, Tomas Pekarek
CENTRAL EUROPEAN JOURNAL OF CHEMISTRY
(2012)
Article
Chemistry, Multidisciplinary
Milan Meloun, Zuzana Ferencikova, Irena Niesnerova, Tomas Pekarek
CENTRAL EUROPEAN JOURNAL OF CHEMISTRY
(2013)
Article
Chemistry, Multidisciplinary
Milan Meloun, Zuzana Ferencikova, Irena Niesnerova, Tomas Pekarek
CENTRAL EUROPEAN JOURNAL OF CHEMISTRY
(2013)
Article
Chemistry, Multidisciplinary
Milan Meloun, Zuzana Ferencikova, Irena Niesnerova, Tomas Pekarek
CENTRAL EUROPEAN JOURNAL OF CHEMISTRY
(2013)