scholarly journals Review: <i>Discovering the Cluster World. Clusters’ Hidden Parameters Extraction from Thermophysical Data</i> and <i>The Wonders of Molecular Interactions. The Experimentally Based Molecular Interaction Features</i>

2016 ◽  
Vol 04 (02) ◽  
pp. 34-38 ◽  
Author(s):  
Ilia Brondz
Keyword(s):  
Molecular Interactions ◽  
Molecular Interaction ◽  
Parameters Extraction ◽  
Hidden Parameters

Mixed matrix membranes with molecular-interaction-driven tunable free volumes for efficient bio-fuel recovery

2015 ◽  
Vol 3 (8) ◽  
pp. 4510-4521 ◽  
Author(s):  
Gongping Liu ◽  
Wei-Song Hung ◽  
Jie Shen ◽  
Qianqian Li ◽  
Yun-Hsuan Huang ◽  
...  
Keyword(s):  
Polymer Chain ◽  
Molecular Interactions ◽  
Molecular Interaction ◽  
Chain Conformation ◽  
Mixed Matrix Membranes ◽  
Mixed Matrix ◽  
Polymer Chain Conformation ◽  
Matrix Membranes

Molecular interactions were constructed to control polymer chain conformation to fabricate mixed matrix membranes with tunable free volumes, exhibiting simultaneously improved butanol permeability and selectivity.

scholarly journals Acoustical Studies on Molecular Interactions in Binary Liquid Mixtures at 303 K

2009 ◽  
Vol 6 (4) ◽  
pp. 1150-1152 ◽  
Author(s):  
R. Uvarani ◽  
J. Sivapragasam
Keyword(s):  
Ultrasonic Velocity ◽  
Molecular Interactions ◽  
Molecular Interaction ◽  
Binary Systems ◽  
Liquid Mixtures ◽  
Binary Liquid Mixtures ◽  
Ultrasonic Technique ◽  
Acoustical Parameters ◽  
Binary Liquid ◽  
Excess Parameters

Molecular interaction studies using ultrasonic technique in the binary liquid mixtures of cyclohexanone witho-cresol andp-cresol have been carried out at 303 K. Using the measured values of ultrasonic velocity, density and viscosity, acoustical parameters and their excess values are evaluated. From the properties of these excess parameters the nature and strength of the interactions in these binary systems are discussed.

scholarly journals Ultrasonic Study of Molecular Interactions in Binary Mixtures at 303 K

2010 ◽  
Vol 7 (2) ◽  
pp. 353-356 ◽  
Author(s):  
S. Mullainathan ◽  
S. Nithiyanantham
Keyword(s):  
Experimental Data ◽  
Internal Pressure ◽  
Molecular Interactions ◽  
Molecular Interaction ◽  
Binary Systems ◽  
Adiabatic Compressibility ◽  
Acoustical Parameters ◽  
Intermolecular Free Length ◽  
Wada’S Constant ◽  
Rao’S Constant

The ultrasonic velocity, density and viscosity at 303 K have been measured in the binary systems of 1,4-dioxane and acetone with water. From the experimental data, various acoustical parameters such as adiabatic compressibility (β), intermolecular free length (Lf), free volume (Vf), internal pressure (πi), Rao’s constant (R), Wada’s constant (W) and specific acoustical impedance (Z) were calculated. The results are interpreted in terms of molecular interaction between the components of the mixtures.

scholarly journals Different Molecular Interaction between Collagen and α- or β-Chitin in Mechanically Improved Electrospun Composite

Marine Drugs ◽  
2019 ◽  
Vol 17 (6) ◽  
pp. 318 ◽  
Author(s):  
Hyunwoo Moon ◽  
Seunghwan Choy ◽  
Yeonju Park ◽  
Young Mee Jung ◽  
Jun Mo Koo ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Tensile Strength ◽  
Regenerative Medicine ◽  
Hydrogen Bonds ◽  
Molecular Interactions ◽  
Molecular Interaction ◽  
Molecular Hydrogen ◽  
Correlation Spectroscopy ◽  
Two Dimensional ◽  
Secondary Interaction

Although collagens from vertebrates are mainly used in regenerative medicine, the most elusive issue in the collagen-based biomedical scaffolds is its insufficient mechanical strength. To solve this problem, electrospun collagen composites with chitins were prepared and molecular interactions which are the cause of the mechanical improvement in the composites were investigated by two-dimensional correlation spectroscopy (2DCOS). The electrospun collagen is composed of two kinds of polymorphs, α- and β-chitin, showing different mechanical enhancement and molecular interactions due to different inherent configurations in the crystal structure, resulting in solvent and polymer susceptibility. The collagen/α-chitin has two distinctive phases in the composite, but β-chitin composite has a relatively homogeneous phase. The β-chitin composite showed better tensile strength with ~41% and ~14% higher strength compared to collagen and α-chitin composites, respectively, due to a favorable secondary interaction, i.e., inter- rather than intra-molecular hydrogen bonds. The revealed molecular interaction indicates that β-chitin prefers to form inter-molecular hydrogen bonds with collagen by rearranging their uncrumpled crystalline regions, unlike α-chitin.

scholarly journals Molecular interaction balanced one- and two-dimensional hybrid nanoarchitectures for high-performance supercapacitors

2019 ◽  
Vol 21 (40) ◽  
pp. 22283-22292 ◽  
Author(s):  
Mingxia Lu ◽  
Gang Wang ◽  
Bo Li ◽  
Jing Chen ◽  
Jingchao Zhang ◽  
...  
Keyword(s):  
Molecular Interactions ◽  
Self Assembly ◽  
Molecular Interaction ◽  
High Performance ◽  
Charge Storage ◽  
Two Dimensional ◽  
Assembly Process ◽  
Equilibrium Thermodynamic ◽  
Good Separation ◽  
Ratio Dependent

Stepwise ultrasonication and self-assembly process enables good separation between disequilibrium and equilibrium thermodynamic molecular interactions, which allow excellent electrochemical charge storage based on ratio-dependent 1D–2D hybridisation.

Measuring forces between biological macromolecules with the Atomic Force Microscope: characterization and applications

1995 ◽  
Vol 53 ◽  
pp. 718-719
Author(s):  
Gil U Lee ◽  
Linda Chrisey ◽  
Richard J. Colton
Keyword(s):  
Atomic Force Microscope ◽  
Molecular Interactions ◽  
Molecular Interaction ◽  
Variable Stiffness ◽  
Force Transducer ◽  
Resonance Spectroscopy ◽  
Biological Macromolecules ◽  
Receptor System ◽  
Interaction Forces ◽  
Atomic Force

Structure and function in biological macromolecular systems such as proteins and polynucleotides are based on intermolecular interactions that are short ranged and chemically specific. Our knowledge of these molecular interactions results from indirect physical and thermodynamic measurements such as x-ray crystallography, light scattering and nuclear magnetic resonance spectroscopy. Direct measurement of molecular interaction forces requires that the state of a system be monitored with near atomic resolution while an independent force is applied to the system of 10−12 to 10−9 Newton magnitude. The atomic force microscope (AFM) has recently been applied to the study of single molecular interactions. The microfabricated cantilever of the AFM, a force transducer of small yet variable stiffness and high resonance frequency, produces a transducer of 10−15 N/Hz1/2 force sensitivities and 0.01 nm position accuracy.This presentation describes the AFM measurement of the molecular interaction forces in the model ligand-receptor system streptavidin-biotin and between complementary strands of DNA.

scholarly journals Ultrasonic Investigations of Molecular Interaction in Binary Mixtures of Benzyl Benzoate with Acetonitrile and Benzonitrile

2011 ◽  
Vol 8 (1) ◽  
pp. 457-469 ◽  
Author(s):  
N. Jaya Madhuri ◽  
P. S. Naidu ◽  
J. Glory ◽  
K. Ravindra Prasad
Keyword(s):  
Experimental Data ◽  
Activation Energy ◽  
Internal Pressure ◽  
Binary Mixtures ◽  
Molecular Interactions ◽  
Molecular Interaction ◽  
Adiabatic Compressibility ◽  
Benzyl Benzoate ◽  
Theoretical Evaluation ◽  
Excess Parameters

Ultrasonic velocity, density and viscosity have been measured in the binary mixtures of benzyl benzoate with acetonitrile, benzonitrile at three temperatures 30, 40 and 50°C. From the experimental data, thermodynamic parameters like adiabatic compressibility, internal pressure, enthalpy, activation energy etc., were computed and the molecular interactions were predicted based on the variation of excess parameters in the mixture. Also theoretical evaluation of velocities was made employing the standard theories. CFT and NOMOTO were found to have an edge. All the three mixtures have shown out strong intermolecular interactions between the unlike molecules and endothermic type of chemical reaction.

scholarly journals Acoustical Studies of Binary Liquid Mixtures of p-Chlorotoluene in Benzene at Different Temperatures

2014 ◽  
Vol 29 ◽  
pp. 25-37 ◽  
Author(s):  
G. Pavan Kumar ◽  
Ch. Praveen Babu ◽  
K. Samatha ◽  
A.N. Jyosthna ◽  
K. Showrilu
Keyword(s):  
Molecular Interactions ◽  
Molecular Interaction ◽  
Adiabatic Compressibility ◽  
Liquid Mixtures ◽  
Ultrasonic Velocities ◽  
Acoustical Parameters ◽  
Binary Liquid ◽  
Wada’S Constant ◽  
Rao’S Constant ◽  
Different Temperatures

Ultrasonic velocities (U), densities (ρ), and coefficient of viscosities (η) are measured for binary mixtures containing (i) p-chlorotoluene and (ii) benzene at 303.15 K, 308.15 K, 313.15 K and 318.15 K to understand the molecular interaction. Various acoustical parameters such as adiabatic compressibility (βad), free length (Lf), acoustic impedance (Z), free volume (Vf), molar volume (Vm), Rao’s constant (R), Wada’s constant (W) and internal pressure (πi), are calculated from the measured values of U, ρ, and η. The trend in acoustical parameters also substantiates to asses strong molecular interactions.

scholarly journals CSGNN: Contrastive Self-Supervised Graph Neural Network for Molecular Interaction Prediction

2021 ◽  
Author(s):  
Chengshuai Zhao ◽  
Shuai Liu ◽  
Feng Huang ◽  
Shichao Liu ◽  
Wen Zhang
Keyword(s):  
Neural Network ◽  
Molecular Interactions ◽  
Molecular Interaction ◽  
Learning Task ◽  
Interaction Networks ◽  
Molecular Networks ◽  
Specific Domain ◽  
Interaction Prediction ◽  
Molecular Interaction Networks ◽  
Systems Identification

Molecular interactions are significant resources for analyzing sophisticated biological systems. Identification of multifarious molecular interactions attracts increasing attention in biomedicine, bioinformatics, and human healthcare communities. Recently, a plethora of methods have been proposed to reveal molecular interactions in one specific domain. However, existing methods heavily rely on features or structures involving molecules, which limits the capacity of transferring the models to other tasks. Therefore, generalized models for the multifarious molecular interaction prediction (MIP) are in demand. In this paper, we propose a contrastive self-supervised graph neural network (CSGNN) to predict molecular interactions. CSGNN injects a mix-hop neighborhood aggregator into a graph neural network (GNN) to capture high-order dependency in the molecular interaction networks and leverages a contrastive self-supervised learning task as a regularizer within a multi-task learning paradigm to enhance the generalization ability. Experiments on seven molecular interaction networks show that CSGNN outperforms classic and state-of-the-art models. Comprehensive experiments indicate that the mix-hop aggregator and the self-supervised regularizer can effectively facilitate the link inference in multifarious molecular networks.

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