Article
Multidisciplinary Sciences
Korak Kumar Ray, Colin D. Kinz-Thompson, Jingyi Fei, Bin Wang, Qiao Lin, Ruben L. Gonzalez
Summary: Biomolecular machines utilize thermal and chemical energy to perform cellular processes, and they require dynamic rearrangements of structural components. The physical and structural mechanisms through which ligands achieve repurposing of these dynamics remain unknown.
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA
(2023)
Editorial Material
Chemistry, Physical
Tong-wei Zhang, Yong-zheng Liu, Yong-xiang Li, Zi-yang Li
Summary: Errors were found in the thermodynamics-related characteristics listed by Zheng and colleagues, with inconsistencies and failure to abide by the thermodynamics-related association of Delta G = Delta H - T Delta S reported in Table 5.
JOURNAL OF MOLECULAR LIQUIDS
(2021)
Article
Chemistry, Multidisciplinary
Sukjin S. Jang, Sarah Dubnik, Jason Hon, Bjorn Hellenkamp, David G. Lynall, Kenneth L. Shepard, Colin Nuckolls, Ruben L. Gonzalez
Summary: Researchers have used single-molecule field-effect transistors (smFETs) to study the conformational free-energy landscape of RNA stem-loops. By directly monitoring thousands of (un)folding events of individual stem-loops, they found that stem-loops undergo (un)folding transitions over a 1-200 ms timescale, sampling various conformations before reaching the native folded state. These findings reveal the rugged landscape on which even simple RNA structural elements fold and demonstrate the unique power of smFETs in characterizing RNA conformational free-energy.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
(2023)
Article
Chemistry, Applied
Yoshiharu Nishiyama
Summary: Polysaccharides, even non-ionic ones, can swell in water and generate significant pressure, which can be utilized for actuation purposes or result in structural damage. The investigation of swelling pressure dates back to the 19th century, with thermodynamic considerations developed in the early 20th century. Recent data suggests that the swelling process is mainly driven by enthalpy. The molecular origin of the heat involved in swelling is discussed, taking into account the specific characteristics of polysaccharides or biopolymers with rigid chain conformations that contradict the compact packing necessary for enthalpy stabilization. The elastic energy stored in the rigid structure is proposed to contribute to the heat of swelling and potential work associated with it, which can be explored in the design of actuation or control of swelling.
CARBOHYDRATE POLYMERS
(2023)
Editorial Material
Chemistry, Physical
Yong-zheng Liu
Summary: The thermodynamics-related characteristics reported by Ren and colleagues were found to be inconsistent and not in accordance with the expected thermodynamic laws. Additionally, the molar entropy did not follow the thermodynamic law of S = - (partial derivative G/partial derivative T)(P).
JOURNAL OF MOLECULAR LIQUIDS
(2021)
Article
Physics, Multidisciplinary
Timur Koyuk, Udo Seifert
Summary: The thermodynamic uncertainty relation allows inferring total entropy production rate by observing current or state variables. Suitable observables can be found for estimating total entropy production in both fast and slow driving cases. The uncertainty relation can even be saturated in the limit of fast driving.
JOURNAL OF PHYSICS A-MATHEMATICAL AND THEORETICAL
(2021)
Article
Chemistry, Physical
Zhenghui Li, Renjie Xu
Summary: The equilibrium solubility of florasulam in different solvent mixtures was determined experimentally. It was found that high temperature and low water content promoted the dissolution of florasulam. The solubility was correlated with mathematical models and the preferential dissolution of florasulam between water and alcohols was analyzed.
JOURNAL OF MOLECULAR LIQUIDS
(2023)
Article
Polymer Science
Jinkang Dou, Lijie Cheng, Bojun Tan, Binghui Duan, Minghui Xu, Bozhou Wang, Ning Liu
Summary: A tritopic nitrile oxide with high stability and reactivity was synthesized and used for metal-free crosslinking of alkenyl-terminated binders. The resulting elastomers showed improved mechanical properties, particularly elongation at break. This method can also be applied to energetic binders, demonstrating versatility.
Article
Chemistry, Physical
Balaka Mondal, D. Thirumalai, Govardhan Reddy
Summary: Single molecule pulling experiments investigate changes in biomolecule extension as a function of applied force, revealing insights into folding dynamics. The energy landscape for unfolding is weakly multidimensional, predominantly controlled by a single barrier. The transition state location shifts towards the folded state with increasing force, in line with the Hammond postulate.
JOURNAL OF PHYSICAL CHEMISTRY B
(2021)
Article
Energy & Fuels
Seemita Banrejee, Asheesh Kumar, Priyanka Ruz, Vasanthakumaran Sudarsan
Summary: Nanocrystalline magnesium prepared by wet milling method without heavy metal catalyst shows improved hydrogen storage properties with higher capacity, following a specific activation energy model for hydrogenation and dehydrogenation kinetics.
INTERNATIONAL JOURNAL OF ENERGY RESEARCH
(2021)
Article
Chemistry, Physical
Matthieu Rykner, Marion Chandesris
Summary: This study investigates the thermodynamics and kinetics of phase formation during intercalation using a multilayer free energy framework. The results highlight the crucial role of interlayer interactions between graphene and lithium ions in the formation of liquid-like phases.
JOURNAL OF PHYSICAL CHEMISTRY C
(2022)
Article
Metallurgy & Metallurgical Engineering
Subramanian Raju
Summary: This study presents a thermodynamic analysis of volume change accompanying alloy formation. The results show that both positive and negative volume change could be observed in a single alloy system, depending on the dominating effect of pressure on enthalpy or entropy. The entropy contribution to volume change is primarily influenced by the volume expansion mismatch between solid solution and end members.
TRANSACTIONS OF THE INDIAN INSTITUTE OF METALS
(2022)
Article
Multidisciplinary Sciences
Shensheng Chen, Zhen-Gang Wang
Summary: There is a discrepancy between experiments and model studies regarding the thermodynamic driving force in polyelectrolyte complex coacervation. This study combines molecular dynamics simulation with thermodynamic analysis to explore the potential of mean force in key stages of the coacervation pathway. The results show that the temperature dependence in the dielectric constant of water gives rise to a substantial entropic contribution in the electrostatic interaction, providing an explanation for the thermodynamic behavior observed in experiments.
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA
(2022)
Article
Chemistry, Physical
Md. Diluar Hossain, Sadia Afrin, Akhtar Atiya, Kahkashan Anjum, Md Shanimul Hasan, Md. Rafikul Islam, Tajmul Hasan, Shahed Rana, Md. Anamul Hoque
Summary: The present study investigates the cloudy development behavior of a nonionic surfactant Triton X-100 and an antibiotic drug ciprofloxacin hydrochloride mixture using the cloud point measurements method. It is found that the cloud point of Triton X-100 + ciprofloxacin hydrochloride mixture increases in the presence of hydrotropes such as sodium benzoate, sodium salicylate, polyethylene glycol, and caffeine. However, the cloud point decreases in aqueous 4-aminobenzoic acid solution. Among the hydrotropes, sodium salicylate is the most effective solubility enhancer. The knowledge gained from these studies is expected to be useful in pharmaceutics formulations and drug delivery systems.
JOURNAL OF MOLECULAR LIQUIDS
(2023)
Article
Biochemistry & Molecular Biology
Marko Popovic, Vojin Tadic, Marija Mihailovic
Summary: This paper reports the chemical and biothermodynamic properties of insulin biosynthesis, including the molecular and empirical formulas, biosynthesis reactions, and thermodynamic properties of multiple components of insulin. Metabolic reactions for converting preproinsulin to insulin and their thermodynamic feasibility were also analyzed.
JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS
(2023)