scholarly journals Machine Learning for the Identification of Hydration Mechanisms of Pharmaceutical-Grade Cellulose Polymers and Their Mixtures with Model Drugs

2021 ◽  
Vol 11 (16) ◽  
pp. 7751
Author(s):  
Przemysław Talik ◽  
Aleksander Mendyk
Keyword(s):  
Bound Water ◽  
Free Water ◽  
Optimal Number ◽  
Ice Melting ◽  
Scanning Calorimetry ◽  
Multiple Components ◽  
Hypothetical Mechanism ◽  
The Individual ◽  
Matrix Free ◽  
Dsc Curves

Differently bound water molecules confined in hydrated hydroxypropyl cellulose (HPC) type MF and their mixtures (1:1 w/w) with lowly soluble salicylic acid and highly soluble sodium salicylate were investigated by differential scanning calorimetry (DSC). The obtained ice-melting DSC curves of the HPC/H2O samples were deconvoluted into multiple components, using a specially developed curve decomposition tool. The ice-melting enthalpies of the individual deconvoluted components were used to estimate the amounts of water in three states in the HPC matrix: free water (FW), freezing bound water (FBW), and non-freezing water (NFW). A search for an optimal number of Gaussian functions was carried out among all available samples of data and was based on the analysis of the minimum fitting error vs. the number of Gaussians. Finally, three Gaussians accounting for three fractions of water were chosen for further analysis. The results of the calculations are discussed in detail and compared to previously obtained experimental DSC data. AI/ML tools assisted in theory elaboration and indirect validation of the hypothetical mechanism of the interaction of water with the HPC polymer.

scholarly journals Effects of Bamboo Shoot Dietary Fiber on Mechanical Properties, Moisture Distribution, and Microstructure of Frozen Dough

2017 ◽  
Vol 2017 ◽  
pp. 1-7 ◽  
Author(s):  
Hua Zhang ◽  
Yanyan Zhang ◽  
Xintian Wang ◽  
Qisen Xiang ◽  
Yanhong Bai ◽  
...  
Keyword(s):  
Mechanical Properties ◽  
Dietary Fiber ◽  
Bound Water ◽  
Free Water ◽  
Moisture Distribution ◽  
Dependent Manner ◽  
Bamboo Shoot ◽  
Scanning Calorimetry ◽  
Frozen Dough ◽  
Addition Amount

In this paper, the effects of Bamboo shoot dietary fiber (BSDF) on the mechanical properties, moisture distribution, and microstructure of frozen dough were investigated. The state and distribution of water in frozen dough was determined by differential scanning calorimetry (DSC) and low-field nuclear magnetic resonance (LNMR) spectroscopy. The microstructure of frozen dough was studied. The structure of the gluten protein network found in wheat flour dough was studied by scanning electron microscopy (SEM). The result showed that the BSDF could significantly improve the viscoelasticity and extensibility of frozen dough after thawing in a dose-dependent manner. It was significantly improved with the increase in the addition amount of BSDF (P<0.05). DSC analysis showed that the freezable water content and thermal stability of frozen dough were increased after the addition of BSDF. LNMR analysis showed that the appropriate (<0.1%) addition amount of BSDF could significantly (P<0.05) decline the contents of bound water. Meanwhile, the loose bound water and free water were raised significantly (P<0.05) after the addition of BSDF. Moreover, the addition of BSDF induces arrangement of starch granule and gluten network in frozen dough. BSDF can be used as a novel quality improver of frozen dough.

Preparation and Properties of a Water-Swelling Rubber by in situ Formed Lithium Acrylate in Nitrile Rubber

2005 ◽  
Vol 13 (2) ◽  
pp. 181-190 ◽  
Author(s):  
Wentan Ren ◽  
Zonglin Peng ◽  
Yong Zhang ◽  
Yinxi Zhang
Keyword(s):  
Mechanical Properties ◽  
Bound Water ◽  
Free Water ◽  
High Water ◽  
Nitrile Rubber ◽  
Molar Ratio ◽  
Scanning Calorimetry ◽  
Swelling Properties ◽  
Water Swelling

Lithium acrylate (LiAA) was in situ prepared in nitrile rubber (NBR) through neutralization of lithium hydroxide (LiOH) and acrylic acid (AA) during mixing. The NBR/LiAA compounds were vulcanized with dicumyl peroxide (DCP). The in situ preparation and polymerization of LiAA were characterized using Fourier transform infrared (FTIR) spectrometer. The micrographs of the compounds and vulcanizates were explored using a scanning electron microscope (SEM). The effects of DCP and LiAA contents on the water-swelling and mechanical properties of the vulcanizates were studied. The relationship between the LiOH/AA molar ratio and the properties of the vulcanizates was investigated. The results showed that the in situ formed LiAA could improve the mechanical properties and water–swelling properties of the NBR/LiAA vulcanizates. The vulcanizates properly compounded had high water-swelling ratio over 800% and tensile strength more than 12MPa. The differential scanning calorimetry (DSC) measurements indicated that the water absorbed in the vulcanizate existed in PLiAA and NBR networks in three different physical states, namely, free water, freezable bound water and non-freezable bound water.

scholarly journals Temperature- and pH-sensitive hydrogels of sequential Ti-containing interpenetrating polymer networks

2021 ◽  
pp. 42-49
Author(s):  
Т.Т. Аlekseeva ◽  
◽  
N.V. Iarova ◽  
Keyword(s):  
Molecular Weight ◽  
Water Content ◽  
Average Molecular Weight ◽  
Polymer Networks ◽  
Bound Water ◽  
Free Water ◽  
Interpenetrating Polymer Networks ◽  
Hydroxyethyl Methacrylate ◽  
Scanning Calorimetry ◽  
Polymer Component

Hydrogels of sequential Ti-containing interpenetrating polymer networks based on hydrophilic cross-linked polyurethanes with different molecular weight of polyethylene glycols and Ti-containing copolymer were synthesized based on 2-hydroxyethyl methacrylate and titanium isopropoxide. The composition of sequential interpenetrating polymer networks was determined by the degree of equilibrium swelling of the polyurethane networks in 2-hydroxyethyl methacrylate and Ti-containing comonomer. It was established that the content of the second component of the interpenetrating polymer networks increases with increasing the average molecular weight value of the polyurethane network. It was shown that the obtained highly sensitive hydrogels of Ti-containing interpenetrating polymer networks react to the changes in the temperature and pH. These factors significantly change the equilibrium water content in the hydrogels. Differential scanning calorimetry allowed determining the phase transitions that are characteristic of bound and free water, which is a part of the hydrogel of polyurethanes, interpenetrating polymer networks and Ti-containing interpenetrating polymer networks. The results showed that the content of bound water and the degree of its binding to the components of the interpenetrating polymer networks depend on the chemical structure of the network, the nature of a second polymer component (which is a part of the interpenetrating polymer networks), the polarity and hydrophilicity of macromolecules, and the size of hydrogel cells. Regardless of the nature of the second polymer component, there is a general trend for all interpenetrating polymer networks: the total water content increases with increasing the average molecular weight of the polyurethane matrix networks.

Synthesis and properties of a benzoxazine monomer containing maleimide and biphenyl groups

2021 ◽  
pp. 095400832199674
Author(s):  
Tao Guo ◽  
Yang Fan ◽  
Chang Bo ◽  
Zhang Qi ◽  
Han Tao ◽  
...  
Keyword(s):  
Weight Loss ◽  
Loss Rate ◽  
Proton Nuclear Magnetic Resonance ◽  
Significant Weight Loss ◽  
Scanning Calorimetry ◽  
Weight Loss Rate ◽  
Reaction Heat ◽  
H Nmr ◽  
Curing Reaction ◽  
Dsc Curves

Benzoxazine resin exhibits excellent properties and is widely used in many fields. Herein, the synthesis of a novel compound, the bis(2,4-dihydro-2 H-3-(4- N-maleimido)phenyl-1,3-benzoxazinyl)biphenyl (BMIPBB), has been reported, which was synthesized by reacting N-(4-aminophenyl)maleimide (APMI), formaldehyde, and 4,4’-dihydroxybiphenyl. 1,3,5-three(4-(maleimido)phenyl)-1,3,5-triazine (TMIPT) was formed as an intermediate during the reaction. The proton nuclear magnetic resonance (1H-NMR) and Fourier transform-infrared (FTIR) spectroscopy experiments were conducted to determine the structure of BMIPBB. BMIPBB was obtained as a reddish-brown solid in 40.1% yield. The thermal properties of BMIPBB were investigated using differential scanning calorimetry (DSC) and thermogravimetric analysis (TGA) techniques. Analysis of the DSC curves revealed that the broad peak representing the release of curing reaction heat appeared in the temperature range of 140–330°C. The peak temperature was 242.59°C and the heat of the reaction was 393.82 J/g, indicating that the rate of the curing reaction was low and the heat of the reaction was high. Analysis of the TGA results revealed that the weight loss rate was 5% at 110°C. The monomer exhibited a significant weight loss in the range of 320–500°C. The compound lost 50% of its weight at a temperature of 427°C.

scholarly journals DESIGN, OPTIMIZATION AND EVALUATION OF CETRIZINE DIHYDROCHLORIDE FAST DISSOLVING FILMS EMPLOYING STARCH TARTRATE–A NOVEL SUPERDISINTEGRANT

2019 ◽  
pp. 75-86
Author(s):  
R. SANTOSH KUMAR ◽  
ANNU KUMARI ◽  
B. KUSUMA LATHA ◽  
PRUDHVI RAJ
Keyword(s):  
Tensile Strength ◽  
Drug Dissolution ◽  
In Vitro Dissolution ◽  
Content Uniformity ◽  
Scanning Calorimetry ◽  
Disintegration Time ◽  
Folding Endurance ◽  
Contour Plots ◽  
The Individual

Objective: The aim of the current research is optimization, preparation and evaluation of starch tartrate (novel super disintegrant) and preparation of fast dissolving oral films of cetirizine dihydrochloride by employing starch tartrate. Methods: To check the drug excipient compatibility studies of the selected drug (Cetrizine dihydrochloride) and the prepared excipient i. e starch tartrate, different studies like FTIR (Fourier-transform infrared spectroscopy), DSC (Differential scanning calorimetry) and thin-layer chromatography (TLC) were carried out to find out whether there is any interaction between cetirizine dihydrochloride and starch tartrate. The solvent casting method was used for the preparation of fast dissolving films. The prepared films were then evaluated for thickness, folding endurance, content uniformity, tensile strength, percent elongation, in vitro disintegration time and in-vitro dissolution studies. Response surface plots and contour plots were also plotted to know the individual and combined effect of starch tartrate (A), croscarmellose sodium (B) and crospovidone (C) on disintegration time and drug dissolution efficiency in 10 min (dependent variables). Results: Films of all the formulations are of good quality, smooth and elegant by appearance. Drug content (100±5%), thickness (0.059 mm to 0.061 mm), the weight of films varies from 51.33 to 58.06 mg, folding endurance (52 to 67 times), tensile strength (10.25 to 12.08 N/mm2). Fast dissolving films were found to disintegrate between 34 to 69 sec. Percent dissolved in 5 min were found to be more in F1 formulation which confirms that starch tartrate was effective at 1%. Conclusion: From the research conducted, it was proved that starch tartrate can be used in the formulation of fast dissolving films of cetirizine dihydrochloride. The disintegration time of the films was increased with increase in concentration of super disintegrant.

Determine the Moisture Distribution in Sewage Sludge by Drying Differential

2014 ◽  
Vol 665 ◽  
pp. 404-407 ◽  
Author(s):  
Wan Yu ◽  
Pei Sheng Li
Keyword(s):  
Sewage Sludge ◽  
Interstitial Water ◽  
Bound Water ◽  
Free Water ◽  
High Accuracy ◽  
Moisture Distribution ◽  
Municipal Sewage ◽  
Municipal Sewage Sludge ◽  
Hot Air ◽  
Critical Water Content

Moisture distribution in sewage sludge was considered as the essential of thermal drying. Some methods were given in literatures to test the moisture distribution, but there was no standard method to determine the critical water content between different kinds of water. The municipal sewage sludge was dried by hot air in this work. Based on the drying curve, the derivative of drying rate with respect to dry basis moisture content was brought out to analyze the moisture distribution in sewage sludge. Results show that this method can easily determine the free water, interstitial water, surface water and bound water with a high accuracy. The present work can provide new insight to determine the moisture distribution in sewage sludge, which was still lacking in the literatures.

Probing of the combined effect of bisquaternary ammonium antimicrobial agents and acetylsalicylic acid on model phospholipid membranes: differential scanning calorimetry and mass spectrometry studies

2014 ◽  
Vol 10 (12) ◽  
pp. 3155-3162 ◽  
Author(s):  
N. A. Kasian ◽  
V. A. Pashynska ◽  
O. V. Vashchenko ◽  
A. O. Krasnikova ◽  
A. Gömöry ◽  
...  
Keyword(s):  
Mass Spectrometry ◽  
Differential Scanning Calorimetry ◽  
Acetylsalicylic Acid ◽  
Antimicrobial Agents ◽  
Combined Effect ◽  
Phospholipid Membranes ◽  
Scanning Calorimetry ◽  
Combined Use ◽  
The Individual

Qualitatively different membranotropic effects of the individual drugs and complexes formed in their combined use were demonstrated by differential scanning calorimetry.

Solid-State Reactions in Multilayer Ni/Ti Thin Film Composites

1990 ◽  
Vol 205 ◽  
Author(s):  
Gillian E. Winters ◽  
K.M. Unruh ◽  
C.P. Swann ◽  
M.E. Patt ◽  
B.E. White ◽  
...  
Keyword(s):  
Solid State ◽  
Solid State Reactions ◽  
Metastable Solid Solution ◽  
State Transformation ◽  
Solid State Transformation ◽  
Scanning Calorimetry ◽  
The Individual ◽  
Thin Film Composites ◽  
Film Composites ◽  
Rf Sputter Deposition

AbstractMultilayer films, consisting of alternating layers of crystalline Ni and Ti, have been prepared by RF sputter deposition over a range of modulation wavelengths corresponding to an overall composition of Ni50Ti50. These films have been characterized by xray diffraction and Rutherford backscattering measurements. The solid-state transformation by interdiffusional mixing of the individual layers has been directly studied by differential scanning calorimetry and correlated with structural measurements. These measurements indicate that the solid-state reaction of Ni and Ti multilayers proceeds through the formation of a metastable solid solution of Ti in Ni followed by the formation of intermetallic equilibrium compounds. No direct calorimetric or structural evidence for the formation of an amorphous Ni-Ti phase has been found in these samples.

scholarly journals Testing the effects of basic numerical implementations of water migration on models of subduction dynamics

Solid Earth ◽  
2014 ◽  
Vol 5 (1) ◽  
pp. 537-555 ◽  
Author(s):  
M. E. T. Quinquis ◽  
S. J. H. Buiter
Keyword(s):  
Upper Mantle ◽  
Water Distribution ◽  
Mantle Wedge ◽  
Bound Water ◽  
Free Water ◽  
Water Velocity ◽  
Water Migration ◽  
Creep Flow ◽  
Dehydration Reactions ◽  
Slab Dehydration

Abstract. Subduction of oceanic lithosphere brings water into the Earth's upper mantle. Previous numerical studies have shown how slab dehydration and mantle hydration can impact the dynamics of a subduction system by allowing a more vigorous mantle flow and promoting localisation of deformation in the lithosphere and mantle. The depths at which dehydration reactions occur in the hydrated portions of the slab are well constrained in these models by thermodynamic calculations. However, computational models use different numerical schemes to simulate the migration of free water. We aim to show the influence of the numerical scheme of free water migration on the dynamics of the upper mantle and more specifically the mantle wedge. We investigate the following three simple migration schemes with a finite-element model: (1) element-wise vertical migration of free water, occurring independent of the flow of the solid phase; (2) an imposed vertical free water velocity; and (3) a Darcy velocity, where the free water velocity is a function of the pressure gradient caused by the difference in density between water and the surrounding rocks. In addition, the flow of the solid material field also moves the free water in the imposed vertical velocity and Darcy schemes. We first test the influence of the water migration scheme using a simple model that simulates the sinking of a cold, hydrated cylinder into a dry, warm mantle. We find that the free water migration scheme has only a limited impact on the water distribution after 1 Myr in these models. We next investigate slab dehydration and mantle hydration with a thermomechanical subduction model that includes brittle behaviour and viscous water-dependent creep flow laws. Our models demonstrate that the bound water distribution is not greatly influenced by the water migration scheme whereas the free water distribution is. We find that a bound water-dependent creep flow law results in a broader area of hydration in the mantle wedge, which feeds back to the dynamics of the system by the associated weakening. This finding underlines the importance of using dynamic time evolution models to investigate the effects of (de)hydration. We also show that hydrated material can be transported down to the base of the upper mantle at 670 km. Although (de)hydration processes influence subduction dynamics, we find that the exact numerical implementation of free water migration is not important in the basic schemes we investigated. A simple implementation of water migration could be sufficient for a first-order impression of the effects of water for studies that focus on large-scale features of subduction dynamics.

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