Article
Chemistry, Physical
Rahul Sahu, Divya Nayar
Summary: This study investigates the effects of chemical nature and soft attractive energy of crowders on water-mediated hydrophobic interactions between non-polar solutes using molecular dynamics simulations. The results show that different types of crowders have varying effects on hydrophobic interactions, with small-sized crowders primarily driving the interaction through an entropic depletion effect, and bulky crowders strengthening it through preferential interactions with the solute. The findings suggest that both entropic and energetic effects play crucial roles in determining hydrophobic associations.
JOURNAL OF CHEMICAL PHYSICS
(2021)
Article
Chemistry, Physical
Philip Loche, Laura Scalfi, Mustakim Ali Amu, Otto Schullian, Douwe J. Bonthuis, Benjamin Rotenberg, Roland R. Netz
Summary: Using classical molecular dynamics simulations, the dielectric properties at interfaces of water with different surfaces (graphene, graphite, hexane, and water vapor) were investigated. It was found that water has an enhanced dielectric response at hydrophobic surfaces. The positions of the dielectric dividing surface vary significantly among the different surfaces, indicating pronounced surface-specific dielectric behavior. The repulsion of ions from the interfaces is dominated by different interactions depending on the surface properties (electrostatic for fluid-fluid interfaces, non-electrostatic for graphene-water interface).
JOURNAL OF CHEMICAL PHYSICS
(2022)
Article
Chemistry, Applied
Qi-Zheng Liu, Hai Zhang, Hui-Qian Dai, Pei Zhao, Yu-Fen Mao, Ke-Xian Chen, Zhong-Xiu Chen
Summary: This study investigated the inhibition of starch digestion by using pluronic compounds with different hydrophobicity, revealing their effects on changing starch structure and alpha-amylase structure. The findings provide insights for designing and fabricating alpha-amylase inhibitors for controlling starch digestion at the molecular level.
Article
Chemistry, Multidisciplinary
Lili Zhou, Jie Wang, Zhichen Xiong, Yaxun Fan, Yilin Wang
Summary: The chirality of surfactants can regulate the phase behavior and lead to the formation of different network structures. The different aggregate structures are achieved through intermolecular and intramolecular hydrogen-bond interactions. Specifically, the coacervate formed by enantiomers displays liquid-like characteristics, strong capacity to sequester solutes, and high affinity for tightly bound water.
Review
Chemistry, Multidisciplinary
Feiyi Zhang, Lanlan Yu, Wenbo Zhang, Lei Liu, Chenxuan Wang
Summary: Hydrophobic interaction serves as a crucial driving force for creating diverse supramolecular architectures, with evidence suggesting its non-additive nature and susceptibility to chemical context. Quantifying hydrophobic interaction at the nanoscale remains a significant challenge. Recent efforts have focused on understanding the impact of proximal polar groups on the magnitude of this interaction.
Article
Chemistry, Physical
Anisha Bandyopadhyay, Jahur Alam Mondal
Summary: The interaction between a molecular hydrophobe and water is crucial for their mutual structure and reactivity. This study investigates the hydrogen-bonding structure and intermolecular vibrational coupling of water in the hydration shell of charged and uncharged molecular hydrophobes. The results show that the positive charge and branching of the alkyl chain reinforce the intermolecular vibrational coupling of water in the hydration shell. Additionally, weakly interacting dangling OH groups are found in the hydrophobic hydration shells. The net charge and alkyl chain configuration of the hydrophobe strongly affect the collective nature of water and the prevalence of dangling OH groups.
JOURNAL OF MOLECULAR LIQUIDS
(2023)
Article
Construction & Building Technology
Hao Zhang, Song Mu, Jingshun Cai, Ruixing Chen
Summary: The hydrophobic agent has little influence on the hydration degree and structure of hydration products of cementitious materials, but it can lead to the generation of calcium carboxylate and an increase in air content, affecting the microstructure and compressive strength of cement paste. The study suggests that hydrophobic agents may play a significant role in improving the durability of concrete, although the reduction in compressive strength should be taken into consideration.
CONSTRUCTION AND BUILDING MATERIALS
(2021)
Article
Multidisciplinary Sciences
Nicholas B. Rego, Erte Xi, Amish J. Patel
Summary: By using specialized molecular simulations, researchers have identified the most hydrophobic protein patches and found a strong correlation between these patches and regions responsible for mediating protein interactions. This study helps to better understand the functionality and interaction patterns of proteins.
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA
(2021)
Article
Chemistry, Multidisciplinary
Chin-Yi Chen, Meng-Ju Hsieh, Ankit Raj, Wei -Cheng Peng, Hiro-O Hamaguchi, Wei -Tsung Chuang, Xiaosong Wang, Chien-Lung Wang
Summary: In this study, it was discovered that porous hydrophobic nanoparticles formed by two star-shaped giant molecules, POSS-(R)8, are stable in water and can retain their kinetic stability in various conditions. Unlike solid hydrophobic nanoparticles, the porous morphology of POSS-(R)8 nanoparticles reduces the entropically driven hydrophobic effect, preventing aggregation. This finding extends our understanding of colloidal science by considering the morphological factor.
Article
Chemistry, Physical
Jacobo Troncoso
Summary: In this study, the effect of ionic liquid hydrophobicity on volumetric properties was explored by measuring the density of six compounds in aqueous solution. The results showed clear anomalies in all binary systems, similar to those found for low molecular weight amphiphiles. Analyzing the dependencies of this anomalous behavior against temperature and pressure is essential for a deeper understanding of the system.
JOURNAL OF MOLECULAR LIQUIDS
(2021)
Article
Chemistry, Physical
Nico F. A. van der Vegt
Summary: The study of molecular mechanisms for cosolvent-driven hydrophobic polymer collapse transitions in water is crucial for the field of smart responsive materials. While new phenomena have been discovered and understood, the elementary mechanisms contributing to polymer coil-globule transitions in different cosolvent-water systems remain unclear.
JOURNAL OF PHYSICAL CHEMISTRY B
(2021)
Article
Biology
Laura Lupi, Brenda Bracco, Paola Sassi, Silvia Corezzi, Assunta Morresi, Daniele Fioretto, Lucia Comez, Marco Paolantoni
Summary: The dynamics of aqueous solutions of hydrophilic peptide NAGMA and amphiphilic peptide NALMA have been investigated, revealing that both peptides slow down the mobility of water molecules and cause far-reaching spatial perturbations. The concentration dependence of hydration number is explained by the random superposition of different hydration shells. Additionally, rotational dynamics play a key role in influencing solute and solvent motions.
Article
Biochemistry & Molecular Biology
C. A. Menendez, A. R. Verde, L. M. Alarcon, S. R. Accordino, G. A. Appignanesi
Summary: Cholesterol has a significant impact on the structure and dynamics of lipid membranes. It stiffens the membrane by stretching the hydrophobic tails and also alters the dynamics and hydration properties of the polar head groups. However, DHA counteracts the effect of cholesterol by fluidizing the bilayer, restoring the interfacial behavior of pure DPPC.
BIOPHYSICAL CHEMISTRY
(2023)
Article
Chemistry, Physical
Yao Chen, Mingrui Liao, Kun Ma, Zi Wang, Bruno Deme, Jeff Penfold, Jian R. Lu, John R. P. Webster, Peixun Li
Summary: This study investigated how surfactants interact with a lipid SC model using neutron diffraction and MD simulations, revealing the impact of surfactant molecular architecture on their interaction. It demonstrated that surfactants can enhance membrane hydration and reduce phase separated crystalline cholesterol, depending on the surfactant chain length, branching, and double bond, providing useful guidance for selecting or designing surfactants for transdermal applications.
JOURNAL OF COLLOID AND INTERFACE SCIENCE
(2022)
Article
Chemistry, Physical
Yuqing Zheng, Zhoujie Bao, Yaxun Fan, Xiaoyong Wang
Summary: The hydrophobic hydration plays an important role in the formation of Tween-60 micelles upon entrapping bioactive curcumin. The stronger hydrophobic hydration of Tween-60/curcumin complexes compared to curcumin alone is supported by increased values of pyrene polarity index. The formation of hydrogen bond network and the weakened contact of curcumin with water suggest the involvement of hydrophobic hydration in the entrapment of curcumin to surfactant micelles.
JOURNAL OF MOLECULAR LIQUIDS
(2023)
