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81
Preparation of High-Temperature-Resistant Polybenzoxazole Paper by a Two-Step Method
Published 2025-01-01“…Polybenzoxazole (PBO) paper, made of PBO chopped fibers and PBO fibrids, is used in many cutting-edge fields because of its excellent properties. The rigid molecular structure makes PBO only dissolved in strong acids such as fuming sulfuric acid and polyphosphoric acid at a very high temperature. …”
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82
Functional protein mining with conformal guarantees
Published 2025-01-01“…Abstract Molecular structure prediction and homology detection offer promising paths to discovering protein function and evolutionary relationships. …”
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83
The enigmatic SLC26A6 multifunctional anion transporter: recent advances in structure-function relationship, pathophysiological significance and novel pharmacological inhibitors
Published 2025-01-01“…This review will focus on three topics: Firstly, a molecular structure of human SLC26A6 has recently been obtained by cryo-electron microscopy. …”
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84
Influence of Organic Esters on Portland Cement Hydration and Hardening
Published 2018-01-01“…Also, the effect of five kinds of esters on the hydration and hardening of cement was basically followed by TG> TB> DMO> EAC> TMP. In terms of molecular structure, for organic compounds containing only ester groups, the higher the number of ester groups, the greater the effect on the hydration of cement. …”
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85
Sorption of 2,4-Dichlorophenol onto Organobentonites: Influence of Organic Cation Structure and Bentonite Layer Charge
Published 2011-01-01“…The influence of both the molecular structure of the organic cation and the layer charge on the bentonite on the sorption characteristics of organobentonites has been examined. …”
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86
Influence of RANEY Nickel on the Formation of Intermediates in the Degradation of Lignin
Published 2012-01-01“…The cleavage of the ether bonds, which are abundant in the molecular structure of lignin, can be realised in near-critical water (573 to 673 K, 20 to 30 MPa). …”
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87
Physical Properties, Chemical Structure, and Microstructure of Thermoplastic Polyurethane Recycled Material-Modified Asphalt
Published 2025-01-01“…An increase in the shearing/activation temperature and time increased the hydrogen bond content in the modified asphalt due to the rearrangement of the polyurethane’s molecular structure and the hydrogen bonds formed by the asphaltene and polyurethane molecules. …”
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88
Conversion of Lignocellulosic Biomass to Nanocellulose: Structure and Chemical Process
Published 2014-01-01“…In this review, we discuss the molecular structure basis for biomass recalcitrance, reengineering process of lignocellulosic biomass into nanocellulose via chemical, and novel catalytic approaches. …”
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89
Theoretical Calculations and Molecular Docking Analysis of 4-(2-(4-Bromophenyl)Hydrazineylidene)-3,5-Diphenyl-4H-Pyrazole Molecule
Published 2024-12-01“…The molecular structure of 4-(2-(4-bromophenyl)hydrazineylidene)-3,5-diphenyl-4h-pyrazole (BHDH) molecule, which is a pyrazole derivative, was investigated theoretically using the Gaussian 09 program according to the Moller-Plesset (MP2) method. …”
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90
Accurate Assessment of the Oxygen Reduction Electrocatalytic Activity of Mn/Polypyrrole Nanocomposites Based on Rotating Disk Electrode Measurements, Complemented with Multitechniq...
Published 2016-01-01“…The characterization of Mn/PPy films is addressed to the following: (i) morphology, as assessed by Field-Emission Scanning Electron Microscopy (FE-SEM) and Atomic Force Microscope (AFM); (ii) local electrical conductivity, as measured by Scanning Probe Microscopy (SPM); and (iii) molecular structure, accessed by Raman Spectroscopy; these data provide the background against which the electrocatalytic activity can be rationalised. …”
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91
Topological analysis and predictive modeling of amino acid structures with implications for bioinformatics and structural biology
Published 2025-01-01“…Investigating the structural properties of amino acids is paramount to understanding the intricacies of protein function and interactions. The molecular structure of amino acid structures are examined using topological indices that are based on both distance and degree. …”
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92
Prediction of Gas Chromatography-Mass Spectrometry Retention Times of Pesticide Residues by Chemometrics Methods
Published 2013-01-01“…The six molecular descriptors that were considered to account for the effect of molecular structure on the retention time are number of nitrogen, Solvation connectivity index-chi 1, Balaban Y index, Moran autocorrelation-lag 2/weighted by atomic Sanderson electronegativity, total absolute charge, and radial distribution function-6.0/unweighted. …”
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93
Preparation and Corrosion Resistance of Superhydrophobic Coating on AZ31 Magnesium Alloy
Published 2024-12-01“…The active properties,easy oxidation and poor corrosion resistance of AZ31 magnesium alloy have always been the biggest challenges in its practical application.In order to improve its corrosion resistance, reduce the corrosion rate and prolong its service life, a stable and corrosion-resistant aluminum phosphate-polymethyl methacrylate (AP/PMMA) superhydrophobic coating was prepared on the surface by impregnation method.The microstructure, chemical composition, phase composition and molecular structure of the coating were analyzed by scanning electron microscope (SEM),X-ray energy dispersive spectrometer (EDS),X-ray diffractometer (XRD) and Fourier transform infrared spectrometer (FTIR).Moreover, the hydrophobicity and corrosion resistance were tested by contact angle meter (CA), Tafel curve and EIS.Results showed that with the increase of immersion time, the contact angle (WCA) of the coating increased first and then decreased.The surface contact angle of the coating prepared by the 60 s immersion sample could reach 154.7 °, showing superhydrophobicity.The surface corrosion current density was 2.289 × 10-9 A/cm2, which was 4 orders of magnitude lower than that of the magnesium substrate.The corrosion potential was increased from-0.941 V to-0.735 V after polishing, indicating that the AP/PMMA superhydrophobic coating could effectively improve the corrosion resistance of AZ31 magnesium alloy.…”
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94
Density Functional Theoretical Computational Studies on 3-Methyl 2-Vinyl Pyridinium Phosphate
Published 2022-01-01“…The molecular structure of 3-methyl 2-vinyl pyridinium phosphate (3M2VPP) has been optimized by using Density Functional Theory using B3LYP hybrid functional with 6-311++G (d, p) basis set in order to find the whole characteristics of the molecular complex. …”
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95
Effect of Constituent Units, Type of Interflavan Bond, and Conformation on the Antioxidant Properties of Procyanidin Dimers: A Computational Outlook
Published 2017-01-01“…However, the role of the molecular structure of PCs on their antioxidant properties is still a controversial and not fully understood issue that needs to be addressed in a more specific way. …”
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96
Effect of Curing Methods on the Mechanical Properties of Cement Mortar Contaminated with Heavy Crude Oil
Published 2024-12-01“…The high viscosity and complex molecular structure of heavy crude oil form a dense coating around cement particles, hindering hydration and undermining the integrity of the cement matrix. …”
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97
The Effect of Geometrical Shape of Surface Texture on the Rheology and Tribology of Confined Lubricants
Published 2025-01-01“…While alkanes, the primary component in most lubricants, have been studied for their molecular structure’s impact on rheology and behavior when confined by solid surfaces, the influence of confining surface texture remains underexplored. …”
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98
Crystal structure, Hirshfeld surfaces analysis, vibrational spectroscopy, thermal behavior, and DFT study of S-triazine perchlorate
Published 2025-01-01“…Vibrational modes were investigated using Raman and infrared spectroscopy, providing insights into the compound’s molecular structure. Thermogravimetric analysis assess edits thermal stability, while UV–Vis diffuse reflectance spectroscopy identified a significant absorption band at 304 nm (4.07 eV). …”
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99
Tailoring Structural, Emulsifying, and Interfacial Properties of Rice Bran Protein Through Limited Enzymatic Hydrolysis After High-Hydrostatic-Pressure Pretreatment
Published 2025-01-01“…The results indicated that the molecular structure of RBP changed after limited enzymatic hydrolysis. …”
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100
In Situ Swelling Behavior of Chitosan-Polygalacturonic Acid/Hydroxyapatite Nanocomposites in Cell Culture Media
Published 2010-01-01“…The molecular and mechanical characteristics of in situ degradation behavior of chitosan-polygalacturonic acid/hydroxyapatite (Chi-PgA-HAP) nanocomposite films is investigated using Fourier Transform Infrared spectroscopy (FTIR), Atomic Force Microscopy (AFM), and modulus mapping techniques for up to 48 days of soaking in cell culture media. The surface molecular structure of media-soaked samples changes over the course of 48 days of soaking, as indicated by significant changes in phosphate vibrations (1200–900 cm−1) indicating apatite formation. …”
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