Article
Polymer Science
Jacek J. Walkowiak, Rohit Nikam, Matthias Ballauff
Summary: The effective charge of highly charged polyelectrolytes is significantly lowered by a condensation of counterions. This effect is more pronounced for divalent ions. Our study on dendritic polyglycerol sulfate (dPGS) demonstrates that the interactions between dPGS and divalent ions (Mg2+ and Ca2+) show no ion specificity but clear competition between monovalent and divalent ions. These findings support the latest theoretical studies and indicate the sequential replacement of monovalent ions with divalent ions.
Article
Chemistry, Physical
Mathilde Coquil, Nathalie Boubals, Magali Duvail, Marie-Christine Charbonnel, Jean-Francois Dufreche
Summary: Despite the challenges in describing liquid-liquid extraction due to various organization phenomena, a new methodology combining microcalorimetric measurements and molecular modeling has been proposed to better understand the interactions in these complex fluids.
JOURNAL OF MOLECULAR LIQUIDS
(2022)
Article
Biophysics
Oliver E. P. Smith, Laura J. Waters, William Small, Steve Mellor
Summary: This study investigates the critical micellar concentration (CMC) of five non-ionic surfactants using isothermal titration calorimetry. It also examines the influence of surfactant purity on the determined CMC. The results provide useful information for formulating products with the optimal concentration of surfactant to maximize efficacy.
COLLOIDS AND SURFACES B-BIOINTERFACES
(2022)
Article
Biochemistry & Molecular Biology
Shuay Abdullayev, Priyanka Kadav, Purnima Bandyopadhyay, Francisco Javier Medrano, Gabriel A. Rabinovich, Tarun K. Dam, Antonio Romero, Rene Roy
Summary: Lactose and N-Acetyllactosamine have been widely used ligands for galectins, but with limited selectivity. In this study, simultaneous modifications at the anomeric position, C-2, and O-3' of each sugar were performed, leading to a 3'-O-sulfated N-Acetyllactosamine analog with a significantly increased affinity of 14.7 μM against human Gal-3. The three best compounds contained sulfate groups at the O-3' position, which are in line with the highly cationic character of the Gal-3 binding site.
INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES
(2023)
Article
Biotechnology & Applied Microbiology
Shams T. A. Islam, Jie Zhang, Fabio Tonin, Renske Hinderks, Yanthi N. Deurloo, Vlada B. Urlacher, Peter-Leon Hagedoorn
Summary: Lignin valorization through laccase catalysis can release aromatic products, but different enzymes exhibit significant variations in conversion efficiency and rate. Trametes versicolor laccase follows Michaelis-Menten kinetics in converting Kraft lignin, with specific thermodynamic and kinetic parameters, making it a promising tool for guiding enzymatic lignin valorization strategies.
BIOTECHNOLOGY AND BIOENGINEERING
(2022)
Article
Chemistry, Physical
Pablo F. Garrido, Margarida Bastos, Adrian Velazquez-Campoy, Alfredo Amigo, Philippe Dumas, Angel Pineiro
Summary: The injection of air into an isothermal titration calorimeter's sample cell allows for accurate determination of the surface tension of the target liquid, despite the periodic contribution from bubbles. The new algorithm successfully identifies and analyzes these contributions, improving the analysis of calorimetric signals.
JOURNAL OF COLLOID AND INTERFACE SCIENCE
(2022)
Article
Pharmacology & Pharmacy
Bastien Michel, Ellinor B. Heggset, Kristin Syverud, Alain Dufresne, Julien Bras
Summary: Beta-cyclodextrin and its derivatives have the ability to form inclusion complexes with hydrophobic molecules, bringing new functionalities to materials. This study assessed the formation of inclusion complexes between sulfadiazine and silver sulfadiazine with various beta-cyclodextrins and investigated the effects of complex formation on physico-chemical properties.
JOURNAL OF DRUG DELIVERY SCIENCE AND TECHNOLOGY
(2022)
Review
Pharmacology & Pharmacy
Iago Dillion Lima Cavalcanti, Francisco Humberto Xavier Junior, Nereide Stela Santos Magalhaes, Mariane Cajuba de Britto Lira Nogueira
Summary: Isothermal titration calorimetry (ITC) is a technique for evaluating the thermodynamic profiles of connection between two molecules, allowing the experimental design of nanoparticles systems with drugs and/or biological molecules. In the field of pharmaceutical nanotechnology, ITC has been increasingly used to understand the interaction mechanisms in the formation of nanoparticles and the behavior of nanocarriers in in vivo studies. This technique provides quick and easy results to optimize the formulation process of nano-systems.
INTERNATIONAL JOURNAL OF PHARMACEUTICS
(2023)
Article
Polymer Science
William R. Archer, Tiffany N. Thompson, Michael D. Schulz
Summary: Research shows that alterations in the copolymer structure do not affect the overall binding thermodynamics of REEs to these copolymers.
MACROMOLECULAR RAPID COMMUNICATIONS
(2021)
Article
Chemistry, Medicinal
Lisa Samuelsen, Rene Holm, Christian Schonbeck
Summary: The study investigated the effects of 11 buffers and ionic strength on the binding between bile salt taurochenodeoxycholate and ionic sulfobutylether-I3-cyclodextrin. It was found that both ionic strength and competitive binding influenced the stability constant of the complexes. Different buffers had varied impacts on the stability constant of the complexes, with carboxylic acid buffers decreasing the stability constant relative to changes in ionic strength.
JOURNAL OF PHARMACEUTICAL SCIENCES
(2021)
Article
Chemistry, Multidisciplinary
Tzu-Yi Tai, Fanrui Sha, Xiaoliang Wang, Xingjie Wang, Kaikai Ma, Kent O. Kirlikovali, Shengyi Su, Timur Islamoglu, Satoshi Kato, Omar K. Farha
Summary: This study presents the first systematic investigation on the thermodynamics of protein immobilization in metal-organic frameworks (MOFs). It demonstrates that MOFs provide a hydrophobic stabilizing microenvironment for proteins, leading to an entropically driven encapsulation process. Among a series of Zr-MOFs, pyrene-based NU-1000 exhibits the most favorable encapsulation process for insulin.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
(2022)
Article
Biochemistry & Molecular Biology
Van N. T. La, David D. L. Minh
Summary: This study compares several methods for quantifying the uncertainty of binding parameters estimated from isothermal titration calorimetry data. It finds that the asymptotic standard error from maximum likelihood estimation underestimates the uncertainty, while error propagation overestimates it. In contrast, Bayesian credible intervals are closer to the observed confidence intervals.
INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES
(2023)
Article
Biochemistry & Molecular Biology
Zrinka Karacic, Filip Supljika, Antonija Tomic, Lidija Brkljacic, Ana Tomasic Paic, Mirsada Cehic, Sanja Tomic
Summary: Dipeptidyl peptidase III (DPP III) is an enzyme involved in protein degradation and plays important roles in blood pressure regulation and pain regulation. We investigated various neuropeptides as potential substrates and inhibitors of DPP III, and identified several potent inhibitors and a highly effective substrate. The computational analysis provided insights into the differences between substrates that are hydrolyzed effectively and those hydrolyzed slowly by DPP III.
INTERNATIONAL JOURNAL OF BIOLOGICAL MACROMOLECULES
(2022)
Article
Thermodynamics
Ziga Medos, Isidora Cobanov, Marija Bester-Rogac, Bojan Sarac
Summary: This research paper examines the issues associated with power compensation isothermal titration calorimetry, highlighting the possibility of obtaining different enthalpy values with different instruments and setting parameters. It emphasizes that modern calorimeters' dynamic power compensation mode may lead to overcompensation of heat effects, resulting in experimental results heavily reliant on chosen parameters. To avoid these problems, the paper suggests checking raw signals and conducting experiments with low or disabled power compensation when observing switching effects.
JOURNAL OF THERMAL ANALYSIS AND CALORIMETRY
(2021)
Article
Biochemistry & Molecular Biology
Maximilian K. G. Ehrhardt, Monica L. Gerth, Jodie M. Johnston
Summary: Chemotaxis is the process of bacteria sensing chemical gradients and navigating towards favourable conditions through trans-membrane chemoreceptor proteins. Pseudomonas syringae pv. actinidiae (Psa) has a large number of chemoreceptors encoded in its genome, with many remaining uncharacterized.
BIOCHEMICAL AND BIOPHYSICAL RESEARCH COMMUNICATIONS
(2021)
Article
Allergy
Troy Wanandy, Richard Wilson, David Gell, Hayley E. Rose, Nuri Gueven, Noel W. Davies, Simon G. A. Brown, Michael D. Wiese
CLINICAL AND EXPERIMENTAL ALLERGY
(2018)
Article
Multidisciplinary Sciences
Megan Sjodt, Kelly Brock, Genevieve Dobihal, Patricia D. A. Rohs, Anna G. Green, Thomas A. Hopf, Alexander J. Meeske, Veerasak Srisuknimit, Daniel Kahne, Suzanne Walker, Debora S. Marks, Thomas G. Bernhardt, David Z. Rudner, Andrew C. Kruse
Article
Multidisciplinary Sciences
Jin-Long Gao, Ann H. Kwan, Anthony Yammine, Xiaoyan Zhou, Jill Trewhella, Barbara M. Hugrass, Daniel A. T. Collins, James Horne, Ping Ye, Derek Harty, Ky-Anh Nguyen, David A. Gell, Neil Hunter
NATURE COMMUNICATIONS
(2018)
Article
Genetics & Heredity
Patricia D. A. Rohs, Jackson Buss, Sue Sim, Georgia R. Squyres, Veerasak Srisuknimit, Mandy Smith, Hongbaek Cho, Megan Sjodt, Andrew C. Kruse, Ethan C. Garner, Suzanne Walker, Daniel E. Kahne, Thomas G. Bernhardt
Article
Microbiology
Atsushi Taguchi, Michael A. Welsh, Lindsey S. Marmont, Wonsik Lee, Megan Sjodt, Andrew C. Kruse, Daniel Kahne, Thomas G. Bernhardt, Suzanne Walker
NATURE MICROBIOLOGY
(2019)
Article
Biophysics
Samuel Bowerman, Joseph E. Curtis, Joseph Clayton, Emre H. Brookes, Jeff Wereszczynski
BIOPHYSICAL JOURNAL
(2019)
Article
Biochemistry & Molecular Biology
Ken Ellis-Guardiola, Joseph Clayton, Clarissa Pham, Brendan J. Mahoney, Jeff Wereszczynski, Robert T. Clubb
JOURNAL OF MOLECULAR BIOLOGY
(2020)
Article
Biochemistry & Molecular Biology
Roger D. Latham, Mario Torrado, Brianna Atto, James L. Walshe, Richard Wilson, J. Mitchell Guss, Joel P. Mackay, Stephen Tristram, David A. Gell
MOLECULAR MICROBIOLOGY
(2020)
Article
Microbiology
Brianna Atto, Roger Latham, Dale Kunde, David A. Gell, Stephen Tristram
Article
Oncology
Rongze Yang, Shuyan Han, Joseph Clayton, Mahan Haghighatian, Cheng-Chieh Tsai, Yuan Yao, Pingping Li, Jana Shen, Qun Zhou
Summary: Endothelial lipase (EL/LIPG) regulates tumor cell metabolism in triple-negative breast cancer (TNBC). The expression of LIPG is associated with long non-coding RNA DANCR and positively correlates with mitochondrial metabolism. DANCR binds to LIPG to maintain its expression, and LIPG knockdown inhibits TNBC tumor formation. A natural compound, the LIPG inhibitor cynaroside, provides a new therapeutic strategy against TNBC.
Article
Chemistry, Medicinal
Aarion Romany, Ruibin Liu, Shaoqi Zhan, Joseph Clayton, Jana Shen
Summary: The ERK pathway is crucial in tumorigenesis and there is a need for novel covalent inhibitors due to limited efficacy of current noncovalent inhibitors approved by FDA. A systematic study revealed possible targets for the development of covalent inhibitors against ERK pathway kinases.
JOURNAL OF CHEMICAL INFORMATION AND MODELING
(2023)
Article
Chemistry, Medicinal
Joseph Clayton, Vinicius Martins de Oliveira, Mohamed Fouad Ibrahim, Xinyuanyuan Sun, Paween Mahinthichaichan, Mingzhe Shen, Rolf Hilgenfeld, Jana Shen
Summary: The H172Y mutation significantly weakens the S1 pocket interactions and perturbs the conformation of the oxyanion loop, leading to a decrease in the thermal stability and catalytic efficiency, which explains the decreased inhibitory activity of nirmatrelvir.
JOURNAL OF CHEMICAL INFORMATION AND MODELING
(2023)