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This investigation's novelty and objective reside in exploring catalytic flash pyrolysis of cross-linked polyethylene (XLPE) plastic residue in the presence of kaolin, with the perspective of achieving sustainable production of gasoline-range hydrocarbons. Through proximate analysis, thermogravimetric analysis, and heating value determination, this study also assessed the energy-related characteristics of cross-linked polyethylene plastic residue, revealing its potential as an energy source (44.58 MJ kg -1 ) and suitable raw material for pyrolysis due to its low ash content and high volatile matter content. To understand the performance as a low-cost catalyst in the flash pyrolysis of cross-linked polyethylene plastic residue, natural kaolin was subjected to characterization through thermogravimetric analysis, X-ray diffractometry (XRD), Fourier transform infrared spectroscopy (FTIR), and X-ray fluorescence (XRF). Cross-linked polyethylene plastic residue was subjected to thermal and catalytic pyrolysis in an analytical microreactor coupled to gas chromatography-mass spectrometry (Py-GC/MS system), operating at 500 °C, to characterize the distribution and composition of volatile reaction products. The application of kaolin as a catalyst resulted in a decline of the relative concentration of hydrocarbons in the diesel range (C 8 -C 24 ) from approximately 87 % to 28 %, and a reduction in lubricating oils (C 14 -C 50 ) from about 70 % to 13 %, while concomitantly increasing the relative concentration of lighter hydrocarbons in the gasoline range (C 8 -C 12 ) from around 28 % to 87 %. Therefore, catalytic flash pyrolysis offers the potential for converting this plastic waste into a new and abundant chemical source of gasoline-range hydrocarbons. This process can be deemed viable and sustainable for managing and valorizing cross-linked polyethylene plastic residue., Competing Interests: Declaration of competing interest The authors declare that they have no known competing financial interests or personal relationships that could have appeared to influence the work reported in this paper., (Copyright © 2024 Elsevier Ltd. All rights reserved.)

Objective: This study aimed to address the lack of comparative analyses of newly developed bioceramic materials by examining the chemical composition, thermodynamic profile, and microscopic surface features of three bioceramic putties: EndoSequence BC Root Repair Material Fast Set Putty (ESRRM-FS), BIO-C Repair (BCR), and Cera Putty (CP)., Methods: Samples of each of the three bioceramic putty obtained directly from manufacturers were prepared for analysis of physicochemical composition and microscopic features by differential scanning calorimetry (DSC), thermogravimetric analysis (TGA), scanning electron microscopy (SEM) imagery, and energy-disper-sive X-ray spectroscopy (EDS). The data obtained was qualitatively and statistically analysed. Statistical signif-icance was determined at p≤0.05., Results: DSC analysis indicated a standard polymeric vehicle for BCR and CP, coinciding with the polyethene glycol (PEG) thermal profile; the polymeric vehicle in ESRRM-FS remains to be identified. The material with the highest heat capacity was CP (p<0.05), followed by ESRRM-FS and BCR. TGA revealed an inflexion point at 394.12 ºC for ESRRM-FS, which may correspond to the mass loss of dihydroxylation of calcium hydroxide. A more homogenous structure was observed in scanning electron microscopy (SEM) images for ESRRM-FS. EDS analysis indicated BCR had minimal amounts of aluminium (2.06+-0.44%) and a lower percentage of cal-cium than ESRRM-FS (9.11+-1.38% vs. 11.3+-0.87%). CP was composed of aluminium (49.35+-7.01%), carbon (30.65+-5.62%), and oxygen (16.75+-2.44%); no silicon was identified. ESRRM-FS had no aluminium present and the highest calcium percentage (11.3+-0.87%) (p<0.05)., Conclusion: BCR is a Portland cement-derived material with a lower percentage of calcium than ESRRM-FS and minimal amounts of aluminium. CP is a monocalcium aluminate cement, mainly composed of aluminium, carbon, and oxygen. ESRRM-FS is a biphasic material with the highest calcium percentage among all materials studied and no aluminium.

During gasification the kinetic and thermodynamic parameter depend on both the feedstock and the process conditions. As a result, one needs to enhance the understanding of how to model numerically these parameters using thermogravimetric analyzer. Consequently, there exists a pressing need to computationally devise gasification model that can efficiently account to thermodynamic and kinetic parameter from thermogravimetric data. In this study, we numerically model gasification process kinetic and thermodynamic parameters, which vary with feedstock and operational conditions. Our novel approach involves creating an ANN model in MATLAB using a carefully optimized 8-20-20-10-1 architecture. Based on thermogravimetric analyzer (TGA) data, this model uniquely predicts critical kinetic (activation energy, pre-exponential factor) and thermodynamic parameters (entropy, enthalpy, Gibbs free energy, ignition index, boiling temperature). Our ANN model, trained on over 80 diverse samples with the Levenberg-Marquardt algorithm, excels at prediction, with an MSE of 6.185e -6 and an R 2 value exceeding 0.9996, ensuring highly accurate estimates. Based on time, temperature, heating rate, and elemental composition, it accurately predicts thermal degradation. The model can predict TGA curves for many materials, demonstrating its versatility. For instance, it accurately estimates the activation energy for pure glycerol at 73.84 kJ/mol, crude glycerol at 67.55 kJ/mol, 12.12 kJ/mol for coal, and 111.3 kJ/mol for wood. These results, particularly for Kissinger-validated glycerol, demonstrate the model's versatility and efficacy in various gasification scenarios, making it a valuable tool for thermochemical conversion studies., Competing Interests: Declaration of competing interest The authors declare that they have no known competing financial interests or personal relationships that could have appeared to influence the work reported in this paper., (Copyright © 2024 Elsevier Inc. All rights reserved.)

Starch is present in high amount in various cereals, fruits and roots & tubers which finds major application in industry. Commercially, starch is rarely consumed or processed in its native form, thus modification of starch is widely used method for increasing its application and process stability. Due to the high demand for starch in industrial applications, researchers were driven to hunt for new sources of starch, including modification of starch through green processing. Thermal properties are significant reference parameters for evaluating the quality of starch when it comes to cooking and processing. Modification of starches affects the thermal properties, which are widely studied using Differential scanning calorimeter or Thermogravimetric analysis. It could lead to a better understanding of starch's thermal properties including factors influencing and expand its commercial applications as a thickener, extender, fat replacer, etc. in more depth. Therefore, the review presents the classification of starches, factors influencing the thermal properties, measurement methods and thermal properties of starch in its native and modified form. Further, this review concludes that extensive research on the thermal properties of new sources of starch, as well as modified starch, is required to boost thermal stability and extend industrial applications.

The purpose of this study was to investigate the potential of bacterial cellulose nanofiber suspension (BCNs) as stabilizer in anti-solvent precipitation and its effect on improving bioavailability of coenzyme Q10. Bacterial cellulose (BC) was hydrolyzed by sulfuric acid followed by the oxidation with hydrogen peroxide to prepare BCNs. The suspension of BCNs-loaded CoQ10 (CoQ10-BCNs) were prepared by antisolvent precipitation. The zeta potential of CoQ10-BCNs was about -36.01 mV. The properties of CoQ10, BCNs and CoQ10-BCNs were studied by scanning electron microscopy, transmission electron microscope, Fourier-transform infrared spectroscopy, X-ray diffraction, differential scanning calorimetry and thermo gravimetric analysis. The crystallinity of CoQ10 decreased in CoQ10-BCNs compared with the raw CoQ10, and CoQ10-BCNs have good physicochemical stability. In oral bioavailability studies, the area under curve (AUC) of CoQ10-BCNs was about 3.62 times higher than the raw CoQ10 in rats., (Copyright © 2021 Elsevier Ltd. All rights reserved.)

Layer-by-layer three-dimensional nanofibrous scaffolds (3DENS) were produced using the electrospinning technique. Interest in using biopolymers and application of electrospinning fabrication techniques to construct nanofibers for biomedical application has led to the development of scaffolds composed of PVA, keratin, and chitosan. To date, PVA/keratin blended nanofibers and PVA/chitosan blended nanofibers have been fabricated and studied for biomedical applications. Electrospun scaffolds comprised of keratin and chitosan have not yet been reported in published literature, thus a novel nanofibrous PVA/keratin/chitosan scaffold was fabricated by electrospinning. The resulting 3DENS were characterized using fourier transform infrared (FT-IR) spectroscopy, scanning electron microscopy (SEM), differential scanning colorimetry (DSC), and thermogravimetric analysis (TGA). Physiochemical properties of the polymer solutions such as viscosity (rheology) and conductivity were also investigated. The 3DENS possess a relatively uniform fibrous structure, suitable porosity, swelling properties, and degradation which are affected by the mass ratio of keratin, and chitosan to PVA. These results demonstrate that PVA/keratin/chitosan 3DENS have the potential for biomedical applications., (Copyright © 2021 Elsevier Ltd. All rights reserved.)

In boreal regions, the frequency of forest fires is increasing. In this study, thermogravimetric analysis was used to analyze the pyrolysis kinetics of dead surface combustibles in different forest types within the Daxing'an Mountains, China. The results show that the combustible material load of forest types, the Larix forest (LG) is relatively high. Base on the E of kinetic parameters, the LG, and Quercus forest (QM) forest types had relatively high combustibility values and comprehensive combustibility values for 1-, 10-, and 100-h time lags. According to the obtained P values, the pyrolysis of dead surface fuels with 1-, 10-, and 100-h time lags is relatively difficult in the Larix / Betula mixed forest (L-B) and QM forest types. Therefore, mixed forests of the LG, L-B, and QM tree species can be established as fire-resistant forests to establish a fire barrier, reduce the combustibility of forest stands, and reduce the possibility of forest fires., Competing Interests: The authors declare no conflict of interest.

Chinese quince seed gum (CQSG) extracted under water-, alkali- and acid- conditions at 25, 50, and 80 °C, were evaluated in terms of yield, monosaccharide composition, molecular distribution, thermal gravimetry, emulsifying stability, rheological properties, and free radical scavenging ability. The results showed that the yield of CQSG increased to 3.9% after water extraction at 80 °C. Alkali and acid treatments promoted the conversion of neutral sugars to the uronic acid branch. Regardless of the extraction temperature, the xylose chain was the main component (35%-40%); however, a reduction was observed as the extraction temperature increased to 80 °C. All CQSG solutions extracted under these isolation conditions exhibited non-Newtonian rheological behavior. Compared to water-extracted samples, the alkali-extracted samples showed the worst thermal stability, while the acid-treated samples showed the worst emulsifying stability. This study provides theoretical support for the potential application of CQSG polysaccharides in the food and pharmaceutical industries., (Copyright © 2021 Elsevier Ltd. All rights reserved.)

Bone defects caused by trauma have become increasingly common in aged populations. Clinically, because of the relatively decreased bone healing capacity compared with the youth adults, bone defect repair in the elderly remains challenging. The development of effective biomaterials targeted at bone defects in the elderly is a key component of bone-tissue engineering strategies. However, little attention has been paid to bone regeneration in the elderly. Here, we developed a new scaffold chitosan-Strontium chondroitin sulfate (CH-SrCS) and evaluated its effect on improving bone regeneration. We find that the CH-SrCS scaffold displayed positive effects on downregulation of inflammation and osteoclastogenesis related mRNA expressions while demonstrating a significant increase in the expression level of BMP2. Finally, we show that the bone defects healing effects as assessed using an aged rats' bone defects model. Ultimately, this work also provides insights into the design of effective biomaterials targeted at bone defects in the elderly., (Copyright © 2021 Elsevier Ltd. All rights reserved.)

The ability to manipulate the optical appearance of materials is essential in virtually all products and areas of technology. Structurally coloured chiral nematic cellulose nanocrystal (CNC) films proved to be an excellent platform to design optical appearance, as their response can be moulded by organising them in hierarchical architectures. Here, we study how thermal treatments influence the optical appearance of structurally coloured CNC films. We demonstrate that the CNCs helicoidal architecture and the chiral optical response can be maintained up to 250 °C after base treatment and cross-linking with glutaraldehyde, while, alternatively, an exposure to vacuum allows for the helicoidal arrangement to be further preserved up to 900 °C, thus producing aromatic chiral carbon. The ability to retain the helicoidal arrangement, and thus the visual appearance, in CNC films up to 250 °C is highly desirable for high temperature colour-based industrial applications and for passive colorimetric heat sensors. Similarly, the production of chiral carbon provides a new type of conductive carbon for electrochemical applications., (Copyright © 2021 Elsevier Ltd. All rights reserved.)

In this study, mixtures based on β-glucans and proteins are extracted from barley, in mild (MA) and high (HA) alkaline conditions, and employed with zinc oxide (ZnO) to prepare bioactive films for wound healing. Composition of extracts and properties of resulting films depend on pH extraction conditions. MA based samples show weak physical interactions among mixture components, whereas in HA films the extent of these interactions is larger. Consequently, their chemico-physical properties are significantly different, as demonstrated by FT-IR, thermal, mechanical and morphological analyses. ZnO with its bound water molecules acts as a slight plasticizer in MA, as shown by the lower T g and the decrease of elastic modulus. In HA, this effect is evidenced up to ZnO 1%, and above this concentration an increase of strength at break is observed. Finally, MA and HA films show intrinsic antimicrobial properties, enhanced by ZnO, which make them exploitable as wound dressings., (Copyright © 2021 Elsevier Ltd. All rights reserved.)

Based on the gradient distribution of structure and composition in biological cartilage tissue, we designed a gradient hydrogel scaffold by the moving photomask, using chondroitin sulfate and poly (γ-glutamic acid) as crude materials. The hydrogel scaffold had a gradient distribution of cross-linking density, which can be verified from the results of SEM and swelling behavior. Besides, the hydrogel exhibited great viscoelastic, toughness (70% strain), and strength properties (600 kPa). Additionally, the gradient hydrogel's superior cell compatibility was proved through the MTT, live/dead staining assays, and 3D cell culture experiments. Remarkably, the results of in vitro stem cell differentiation experiments showed that the duration of light directly affected the differentiation extent of stem cells, demonstrating that the gradient hydrogel scaffold can better simulate the function of natural cartilage than the homogeneous one. Due to these outstanding characteristics, this gradient hydrogel is a potential scaffold for cartilage tissue engineering., (Copyright © 2021 Elsevier Ltd. All rights reserved.)

Finding an efficient and eco-friendly solution for starch dissolution has attracted considerable attentions in recent years. This study investigated the structural characteristics, and degradation behavior of corn starch in KOH/thiourea aqueous solution by the comparison with DMSO/LiBr and 1-allyl-3-methylimidazolium chloride (AMIMCl). Results showed that KOH/thiourea solution was an effective solvent for corn starch dissolution (30 min with 97.01% solubility). X-ray diffraction (XRD) and 13 C CP-MAS NMR spectroscopy revealed that native crystallinity of the corn starch was altered by all tested solvents, especially DMSO/LiBr and AMIMCl. Conversely, this new solvent did not change the primary molecular structure, chain-length distribution, or thermal stability of starch, compared with the native starch. Furthermore, KOH/thiourea solution was more suitable for measuring the molecular weight of corn starch, with a weight-average molecular weight (M w ) of 7.18 × 10 7  g/mol. Therefore, KOH/thiourea solution is a promising novel solvent for starch dissolution and structural exploration., (Copyright © 2021 Elsevier Ltd. All rights reserved.)

Arabinoxylan (AX) and cellulose were extracted from wheat straw, whereas starch was extracted from potato peel. Thereafter, cellulose and starch were esterified with lauric, myristic, palmitic and stearic acids to prepare corresponding cellulose (CFAs) and starch fatty acid esters (SFAs) with DS 2.1-2.8. XRD study revealed remarkable loss of crystallinity in cellulose and starch due to fatty acid esterification. The addition of palmitate and stearate esters of cellulose and starch to AX formed laminar film microstructures which limited water vapor permeability whereas films prepared by blending AX with laurate and myristate esters of starch and cellulose were less effective as water vapor barrier due to their non-layer microstructures. The laminar structures also resulted significant reduction in mechanical strength of the composite films. Furthermore, all AX-CFAs and AX-SFAs films were thermally more stable than native composite films. These films might be used to produce industrially useful coating material for food products., (Copyright © 2021 Elsevier Ltd. All rights reserved.)

In this research, the polypyrrole/silver (PPy/Ag) composite was first in-situ prepared on alginate fabrics by chemical oxidative polymerization of pyrrole (Py) monomer using silver nitrate as oxidant and sodium dodecyl sulfate (SDS) as the dopant. The effects of mole ratio of Py to silver nitrate, reaction time and dopant concentration on the preparation of PPy/Ag composite were optimized. It was found the optimal molar ratio of Py to silver nitrate was 1:1.5 with 0.02 M SDS under the reaction time of 10 h. Then, the microstructure and properties of resultant PPy/Ag composite were analyzed by scanning electron microscope (SEM), Fourier infrared spectrometer (FT-IR), X-ray diffraction spectroscopy (XRD), X-ray photoelectron spectroscopy (XPS), Raman spectroscopy and the thermogravimetry analysis (TGA), respectively. Finally, the influences of PPy/Ag coating on the performance of alginate fabrics including electrical conductivity, hydrophilicity, antistatic property and anti-ultraviolet capability were determined. It was found that the electrical conductivity of alginate fabric could be intensively increased after PPy/Ag coating. Meantime, the anti-ultraviolet capability and hydrophobicity could be largely improved by PPy/Ag coating especially under high Py dosage. This paper introduced a simple method for preparing PPy/Ag composite direct on alginate fabric to make it a good functional substrate which could be applied in many fields., (Copyright © 2021 Elsevier Ltd. All rights reserved.)

High amylose maize starch (HAMS) and waxy maize starch (WMS) were modified by propionylation and their corresponding physicochemical characteristics, digestion and fermentation properties were studied. The results indicated that two new peaks related to methylene (2.20 ppm) and methyl (0.97 ppm) in the NMR spectrum were formed, indicating the occurrence of propionylation, and this was further confirmed by the formation of a characteristic absorption at 1747 cm -1 in the FTIR spectrum. The propionylation led the modified starch having a lower electron density contrast between the crystalline and amorphous flakes, resulting in the formation of a more compact structure following the increased degrees of substitution (DS). The propionylated starch also had a higher thermal stability and hydrophobicity. These structural changes increased the content of resistant starch (RS) and reduced the predicted glycemic index. More importantly, the gut microbiota fermentation properties indicated that the propionylation of the starch can not only increase the yield of propionate, but also increase the concentration of total short-chain fatty acids (SCFAs). This study highlights a new approach to significantly enhance the RS content in starch, together with an increased SCFA generation capacity., (Copyright © 2021 Elsevier Ltd. All rights reserved.)

Thermal analyses were used to determine thermal properties and transitions in model dough and gluten network induced by five oil pomaces obtained from seeds of black seed, pumpkin, hemp, milk thistle and primrose. The model dough was supplemented with 3%, 6% and 9% of the pomaces. Analysis of TGA parameters of supplemented model dough and gluten showed that both objects were thermally stable. However, analysis of difference TGA thermograms indicated that samples supplemented with pomaces differ in thermal behaviour. The differences were confirmed by DSC results. In the case of model dough, supplementation caused appearance of two endothermic peaks at ca. 295 and 340 °C and significant increase in transition enthalpy. Modified gluten thermograms showed one exothermic peak at 280 °C which enthalpy changed slightly with increase in pomace content. The present results indicated that model dough is characterized by more ordered structure comparing to control and gluten samples., (Copyright © 2021 Elsevier Ltd. All rights reserved.)

The functionalization of microcrystalline cellulose (MCC) is an important strategy for broadening its application fields. In the present work, MCC was functionalized by phosphorylation reaction with phytic acid (PA) for enhanced flame retardancy. The conditions of phosphorylation reaction including PA concentration, MCC/PA weight ratio and temperature were discussed, and the thermal degradation, heat release and char-forming properties of the resulting PA modified MCC were studied by thermogravimetric analysis and pyrolysis combustion flow calorimetry. The PA modified MCC, which was prepared at 90 °C, 50%PA and 1:3 weight ratio of MCC to PA, exhibited early thermal dehydration with rapid char formation as well as low heat release capability. This work suggests a novel strategy for the phosphorylation of cellulose using PA and reveals that the PA phosphorylated MCC can act as a promising flame retardant material.

Seven inorganic salts containing N -phenylbiguanide as a prospective organic molecular carrier of nonlinear optical properties were prepared and studied within our research of novel hydrogen-bonded materials for nonlinear optics (NLO). All seven salts, namely N -phenylbiguanidium(1+) nitrate ( C 2/ c ), N -phenylbiguanidium(1+) perchlorate ( P -1), N -phenylbiguanidium(1+) hydrogen carbonate ( P 2 1 / c ), bis( N -phenylbiguanidium(1+)) sulfate ( C 2), bis( N -phenylbiguanidium(1+)) hydrogen phosphate sesquihydrate ( P -1), bis( N -phenylbiguanidium(1+)) phosphite ( P 2 1 ), and bis( N -phenylbiguanidium(1+)) phosphite dihydrate ( P 2 1 / n ), were characterised by X-ray diffraction (powder and single-crystal X-ray diffraction) and by vibrational spectroscopy (FTIR and Raman). Two salts with non-centrosymmetric crystal structures-bis( N -phenylbiguanidium(1+)) sulfate and bis( N -phenylbiguanidium(1+)) phosphite-were further studied to examine their linear and nonlinear optical properties using experimental and computational methods. As a highly SHG-efficient and phase-matchable material transparent down to 320 nm and thermally stable to 483 K, bis( N -phenylbiguanidium(1+)) sulfate is a promising novel candidate for NLO.

The goal of the study was to evaluate the influence of the solvent properties on the crystal characteristics of β-cyclodextrin (β-CD) recrystallized from alcohol-water solvent mixtures, with possible applications for the preparation, purifying and complexation of β-CD. For the first time, structure-property relationships (QSPRs) between the hydrophobicity of alcohols or dielectric constant of solvents used for recrystallization of β-CD and its properties (such as crystallinity index, CI) have been obtained. Recrystallized β-CD from water and C 1 -C 4 alcohol-water solutions provide β-CD with higher CI values of 99.4(±5.9)% for ethanol-water (1:4, v/v) as recrystallizing system. This property has a parabolic variation with the logP (octanol/water partition coefficient) of the alcohol (r 2  = 0.998). Solvent parameters also influence the β-CD crystal characteristics, as was demonstrated by X-ray diffractometry refinement, infrared spectroscopy and thermal analyses., (Copyright © 2021 Elsevier Ltd. All rights reserved.)

Silica nanoparticles (SNPs) dissolve in alkaline media, which limits their use in certain applications. Here, we report a delayed dissolution of SNPs in strong alkali induced by zinc oxide (ZnO), an additive which also limits gelation of alkaline cellulose solutions. This allows incorporating high solid content of silica (30 wt%) in cellulose solutions with retention of their predominant viscous behavior long enough (ca. 180 min) to enable fiber wet spinning. We show that without addition of ZnO, silica dissolves completely, resulting in strong gelation of cellulose solutions that become unsuitable for wet spinning. With an increase of silica concentration, gelation of the solutions occurs faster. Employing ZnO, silica-rich regenerated cellulose fibers were successfully spun, possessing uniform cross sections and smooth surface structure without defects. These findings are useful in advancing the development of functional man-made cellulose fibers with incorporated silica, e.g., fibers with flame retardant or self-cleaning properties., (Copyright © 2021 The Author(s). Published by Elsevier Ltd.. All rights reserved.)

This study focuses on the production and characterization of electrosprayed cashew gum (CG) microparticles that encapsulate β-carotene. CG is an inexpensive, non-toxic polysaccharide obtained from Anacardium occidentale trees. Encapsulation of β-carotene in CG was performed by electrospraying from two emulsion formulations (water : oil ratios 80:20 and 90:10 (v/v)) in which the dispersed phase consisted of β-carotene dissolved in castor oil, and the continuous phase was a CG aqueous solution. Spherical particles with smooth surface and medium size between 3 and 6 μm were obtained. The particles produced from the 90:10 (v/v) emulsion showed a loading capacity of 0.075 ± 0.006 % and a minor amount of extractable β-carotene, 10.75 ± 2.42 %. ATR-FTIR confirmed the absence of interaction between the particles' components. CG demonstrated to offer thermoprotection, and photoprotection for short periods of time. These results make CG a viable candidate to encapsulate bioactive compounds via electrospraying for agricultural, food and pharmaceutical applications., (Copyright © 2021 Elsevier Ltd. All rights reserved.)

Cassava is one of the three major potato crops due to the high starch content in its tubers. Unlike most current studies on the utilization of cassava tubers, our research is mainly focused on the stem of cassava plant. Through nuclear magnetic resonance (NMR), fourier transform infrared spectrometer (FTIR) and other methods, we found that cassava stalk hemicellulose consists of β-1,4 glycosidic bond-linked xylan backbone with a tetrasaccharide reducing end and decorated with methylated glucuronic acid, acetyl groups and a high degree of arabinose substitutions. Hemicellulose content gradually increased from the upper to the lower parts of the stem. The apical part of cassava stalk contained more branched and heterogeneous glycans than the middle and basal parts, and the molecular weight of hemicellulose increased from top to bottom. Our findings will be helpful in understanding of structural variations of cassava hemicellulose during xylogenesis, as well as in better utilization of cassava plant waste in industry., (Copyright © 2021 Elsevier Ltd. All rights reserved.)

The molecular aggregation of a galactomannan (NSAP-25) from Sophora alopecuroides L. seeds was investigated, where three polydisperse systems were confirmed during particle size analysis, indicating existence of different aggregates composed of random coil chains revealed by circular dichroism. Morphologically, NSAP-25 aggregate of various sizes (200-1200 nm) was possibly multi-stranded and formed by ellipsoid-like particles (20-60 nm) composed of compact coil chain, exhibiting extended amorphous structure with chain-like branches intertwined. Hence, NSAP-25 aggregation was inevitable, which exerted an unignorable effect on augmenting flexibility (β↓, γ↓, α↓ and L p /M L ↓) and compactness (ρ↓, d f ↑ and C ∞ ↓) of branched random coil chain based on macromolecular analysis, especially when concentration increased. Moreover, it could be relevant to thermokinetic behavior of random nucleation and subsequent growth (A 2 model and negative ΔS*) as well as good thermal stability (IPDT, ITS, t 0.05 , T m and T p ), thus conferring potential applications for NSAP-25 in food and pharmaceutical industries., (Copyright © 2021 Elsevier Ltd. All rights reserved.)

In recent years, harmful microorganisms in water pose great harm to ecological environment and human health. To solve this problem, epsilon-poly-l-lysine (EPL) grafted cellulose beads were prepared via 2, 2, 6, 6-tetramethylpiperidine-1-oxyl (TEMPO) mediated oxidation and carbodiimide mediated cross-linking reaction. Hydroxyl groups on C6 of cellulose were oxidized to carboxyl groups by TEMPO and grafting reaction was achieved between newly formed carboxyl groups of cellulose and amino of EPL. The beads were characterized by FTIR, SEM, XRD and TGA. The crystalline form of cellulose transformed from cellulose I to cellulose II after being dissolved and regenerated. The grafted cellulose beads showed good antibacterial activities against Gram-negative Escherichia coli, Gram-positive Staphylococcus aureus and Alicyclobacillus acidoterrestris with 10 h. The beads could be biodegraded in soil after 28 days. It is expected that the bio-based composite beads could have potential applications in water purification and food treatment fields., (Copyright © 2021 Elsevier Ltd. All rights reserved.)

Commercially available types of chitin or chitin isolate are usually in powder form and are nanofibrous in microstructure. However, the surface characteristics of natural chitin in the body of insects are currently understudied. Herein, natural chitin film was successfully produced from bio-waste of insect pupae of the Japanese giant silkworm. Two different surface morphologies of the chitin film were observed. We report for the first time a micropapillary surface structure of chitin which was observed on the dorsal side of the film. To further potential of the micropapillary structured natural chitin in sensing applications, we develop a protocol for generating a nanoscopic film of Ag using thermal evaporation. The Ag-deposited natural chitin films exhibited surface-enhanced Raman scattering (SERS) activity to an extent depending on the structure of the film. In conclusion, materials science has been expanded by addition of a natural, three-dimensional chitin film with utilizable properties., (Copyright © 2021 Elsevier Ltd. All rights reserved.)

The intake of tomato glycoalkaloids can exert beneficial effects on human health. For this reason, methods for a rapid quantification of these compounds are required. Most of the methods for α-tomatine and dehydrotomatine quantification are based on chromatographic techniques. However, these techniques require complex and time-consuming sample pre-treatments. In this work, HPLC-ESI-QqQ-MS/MS was used as reference method. Subsequently, multiple linear regression (MLR) and partial least squares regression (PLSR) were employed to create two calibration models for the prediction of the tomatine content from thermogravimetric (TGA) and attenuated total reflectance (ATR) infrared spectroscopy (IR) analyses. These two fast techniques were proven to be suitable and effective in alkaloid quantification (R 2 = 0.998 and 0.840, respectively), achieving low errors (0.11 and 0.27%, respectively) with the reference technique.

New chitosan Schiff base (3EtO-4OH/Chit) and its 3EtO-4OH/Chit/Fe 2 O 3 nanocomposite were synthesized and characterized by FTIR, 1 H NMR, XRD, TGA, DSC and SEM. The result confirmed the preparation of 3EtO-4OH/Chit and its 3EtO-4OH/Chit/Fe 2 O 3 nanocomposite. The efficiency of the prepared catalysts was studied for the methyl orange (MO) removal from aqueous solution. The effect of adsorbent dose and contact time on the removal of dye has been studied. Their antibacterial activities were considered against two Gram positive (S. aureus and B. cereus) and two Gram negative (E. coli and P. aeruginosa) bacteria and the results showed that the activity of the 3EtO-4OH/Chit/Fe 2 O 3 is excellent and is more than chitosan and 3EtO-4OH/Chit. Thermogravimetry studies shows that the weight loss stages and the residual value at 600 °C are different for the two compounds. DSC curve of the title compounds 3EtO-4OH/Chit and 3EtO-4OH/Chit/Fe 2 O 3 is different from each other. The reason for this difference could be due to the presence of iron oxide nanoparticles in 3EtO-4OH/Chit/Fe 2 O 3 ., Competing Interests: Declaration of competing interest The authors declare that there is no conflict of interest., (Copyright © 2021 Elsevier B.V. All rights reserved.)

Cellulose nanocrystals (CNCs) have been recognized as one of the most promising nanofillers in modern science and technology owing to their outstanding characteristics of renewability, biodegradability, excellent mechanical strength, and liquid crystalline behavior. Interestingly, these properties are dependent on their genetic and also on the isolation process. Therefore, this research aimed to unveil how the biological variations of cellulose can influence on the physical properties of the extracted CNCs. A standard optimized extraction process was adopted to isolate the CNCs from different sources. Extracted CNCs were compared through characterization tools, including Fourier Transformation Infrared Spectroscopy (FTIR), X-ray Diffraction (XRD), Thermogravimetry Analysis (TGA), Dynamic Light Scattering (DLS), Field Emission Scanning Electron Microscopy (FE-SEM), Atomic Force Microscopy (AFM), and Polarized Optical Microscopy (POM). Different self-assembly patterns were observed for different CNCs, owing to their biological variations. The resultant nanocrystals displayed variable morphologies such as spherical, rod, and needle shape. The hydrodynamic diameter, crystallinity index, decomposition temperature, liquid crystallinity, and storage modulus were varied. Nanocrystals isolated from non-wood feedstock have shown a higher degree of polymerization of 108.2 and a high Crystllinity Index (C·I.) of 55.1%. The rod-like morphology with the liquid crystalline pattern was obtained at 3 wt% concentration for SCNC., Competing Interests: Declaration of competing interest None., (Copyright © 2021 Elsevier B.V. All rights reserved.)

In this work, an innovative composite hydrogel composed of curdlan (CD)/polyvinyl alcohol (PVA) hydrogels with a 3-d network structure was successfully prepared by freeze-thaw processing. The presence of interactions, changes in crystallinity, and thermal behaviour were investigated by Fourier transform infrared spectroscopy (FT-IR), X-ray diffraction (XRD), and thermogravimetry (TGA and DTG), respectively. The morphology of the hydrogels was investigated by scanning electron microscopy (SEM). With the increase of PVA concentration, the composite hydrogel had a greater mechanical strength while remaining remarkably ductile as evinced by tensile test results. PVA content affects the swelling and water retention of CD/PVA hydrogels. The results of CCK-8 assay showed that CD/PVA hydrogels have no cytotoxic effect on the mouse fibroblast L929 cells. The AO/EB double-staining experiment further proved that the cells in the composite hydrogels had good cytocompatibility. The porous biohydrogels developed in the present work can provide an ideal cell growth environment as a scaffold. CD/PVA hydrogels highlight the value of this system for cell adhesion and proliferation, and further soft tissue engineering application., (Copyright © 2021. Published by Elsevier B.V.)

The purpose of our study was to obtain new wound dressings in the form of hydrogels that promote wound healing taking advantage of the broad activities of elastin (ELT) in physiological processes. The hydrogel of ELT and polyvinylpyrrolidone (PVP; ELT-PVP) was obtained by cross-linking induced by gamma irradiation at a dose of 25 kGy. The physicochemical changes attributed to cross-linking were analyzed through scanning electron microscopy (SEM), infrared spectroscopy analysis with Fourier transform (FTIR), differential scanning calorimetry (DSC), and thermogravimetric analysis (TGA). Furthermore, we performed a rheological study to determine the possible changes in the fluidic macroscopic properties produced by the cross-linking method. Finally, we accomplished viability and proliferation analyses of human dermal fibroblasts in the presence of the hydrogel to evaluate its biological characteristics. The hydrogel exhibited a porous morphology, showing interconnected porous with an average pore size of 16 ± 8.42 µm. The analysis of FTIR, DSC, and TGA revealed changes in the chemical structure of the ELT-PVP hydrogel after the irradiation process. Also, the hydrogel exhibited a rheological behavior of a pseudoplastic and thixotropic fluid. The hydrogel was biocompatible, demonstrating high cell viability, whereas ELT presented low biocompatibility at high concentrations. In summary, the hydrogel obtained by gamma irradiation revealed the appropriate morphology to be applied as a wound dressing. Interestingly, the hydrogel exhibited a higher percentage of cell viability compared with ELT, suggesting that the cross-linking of ELT with PVP is a suitable strategy for biological applications of ELT without generating cellular damage.

Bacterial vaginosis is a vaginal infection that affects 60% of women of reproductive age worldwide. It is mainly caused by the bacterium Gardnerella vaginalis and is a factor that increases the probability of getting sexually transmitted diseases. We aimed to develop a new pharmaceutical form for the treatment of vaginal infections. We employed the solving-casting method to fabricate a polymeric film with Xanthan gum, a natural polymer produced by the bacterium Xanthomonas campestris, and metronidazole, one of the most commonly used drugs for vaginal infections. In order to characterize the film, we measured pH, dose uniformity, dissolution profile, and the percentage of swelling. Moreover, we performed a thermogravimetric analysis and scanning electron microscopy. The results demonstrated a pH suitable for vaginal application and uniform distribution of the drug in the film. Also, the formulation exhibited a high percentage of swelling and a slow release of the drug in a simulated vaginal fluid medium. All these attributes indicated that the manufactured film has ideal characteristics to be used and administered vaginally. It could be an excellent alternative to treat bacterial vaginosis and also improve user adherence.

Periodontal pain is a public health problem derived from different conditions, including periodontal diseases, prosthetic complications, and even extractions performed by dentist. There are various treatments to control acute dental pain, being the administration of analgesics, such as Lysine Clonixinate (LC), a common practice. Unfortunately, higher and repeated dosages are usually required. The purpose of this work was to develop a prolonged release pharmaceutical form as an alternative treatment for dental pain. Hence, we conceived a film based on guar gum and loaded different concentrations of LC. We evaluated the film's appearance, brittleness, strength, and flexibility, and then chose one formulation for adequate characteristics. Subsequently, we assessed the morphology, thermal behavior, and swelling properties of the films (LC-free and -loaded). Finally, we performed the release studies of LC from the films in vitro using a simulated saliva medium and employed several mathematical models to evaluate the release kinetics. Guar gum is a natural polymer obtained from the endosperm of Cyamopsis tetragonolobus that presents properties such as biosafety, biocompatibility, and biodegradability. Thus, it represents a potential excipient for use in pharmaceutical formulations. Moreover, our results revealed that the LC-loaded film presented a high adherence, suitable swelling behavior, high LC content, and a prolonged drug release. Therefore, the LC-loaded film may be considered a potential option to be applied as an alternative to treat dental pain.

Xanthan gum (XG) and polyvinylpyrrolidone (PVP) are two polymers with low toxicity, high biocompatibility, biodegradability, and high hydrophilicity, making them promising candidates for multiple medical aspects. The present work aimed to synthesize a hydrogel from a mixture of XG and PVP and crosslinked by gamma irradiation. We assessed the hydrogel through a series of physicochemical (FT-IR, TGA, SEM, and percentage of swelling) and biological (stability of the hydrogel in cell culture medium) methods that allowed to determine its applicability. The structural evaluation by infrared spectrum demonstrated that a crosslinked hydrogel was obtained from the combination of polymers. The calorimetric test and swelling percentage confirmed the formation of the bonds responsible for the crosslinked structure. The calorimetric test evidenced that the hydrogel was resistant to decomposition in contrast to non- irradiated material. The determination of the swelling degree showed constant behavior over time, indicating a structure resistant to hydrolysis. This phenomenon also occurred during the test of stability in a cell culture medium. Additionally, microscopic analysis of the sample revealed an amorphous matrix with the presence of porosity. Thus, the findings reveal the synthesis of a novel material that has desirable attributes for its potential application in pharmaceutical and biomedical areas.

Forensic anthropology includes, amongst other applications, the positive identification of unknown human skeletal remains. The first step in this process is an assessment of the biological profile, that is: sex, age, stature and ancestry. In forensic contexts, age estimation is one of the main challenges in the process of identification. Recently established admissibility criteria are driving researchers towards standardisation of methodological procedures. Despite these changes, experience still plays a central role in anthropological examinations. In order to avoid this issue, age estimation procedures (i) must be presented to the scientific community and published in peer reviewed journals, (ii) accurately explained in terms of procedure and (iii) present clear information about the accuracy of the estimation and possible error rates. In order to fulfil all these requirements, a number of methods based on physiological processes which result in biochemical changes in various tissue structures at the molecular level, such as modifications in DNA-methylation and telomere shortening, racemization of proteins and stable isotopes analysis, have been developed. The current work proposes a new systematic approach in age estimation based on tracing physicochemical and mechanical degeneration of the rib cortical bone matrix. This study used autopsy material from 113 rib specimens. A set of 33 parameters were measured by standard bio-mechanical (nanoindentation and microindentation), physical (TGA/DSC, XRD and FTIR) and histomorphometry (porosity-ImageJ) methods. Stepwise regressions were used to create equations that would produce the best 'estimates of age at death' vs real age of the cadavers. Five equations were produced; in the best of cases an equation counting 7 parameters had an R 2  = 0.863 and mean absolute error of 4.64 years. The present method meets all the admissibility criteria previously described. Furthermore, the method is experience-independent and as such can be performed without previous expert knowledge of forensic anthropology and human anatomy.

Risperidone (RSP) is an atypical antipsychotic drug which acts as a potent antagonist of serotonin-2 (5TH2) and dopamine-2 (D2) receptors in the brain; it is used to treat schizophrenia, behavioral and psychological symptoms of dementia and irritability associated with autism. It is a poorly water soluble benzoxazole derivative with high lipophilicity. Supramolecular adducts between drug substance and two methylated β-cyclodextrins, namely heptakis(2,6-di-O-methyl)-β-cyclodextrin (DM-β-CD) and heptakis(2,3,6-tri-O-methyl)-β-cyclodextrin (TM-β-CD) were obtained in order to enhance RSP solubility and improve its biopharmaceutical profile. The inclusion complexes were evaluated by means of thermoanalytical methods (TG-thermogravimetry/DTG-derivative thermogravimetry/HF-heat flow), powder X-ray diffractometry (PXRD), universal-attenuated total reflectance Fourier transform infrared (UATR-FTIR), UV spectroscopy and saturation solubility studies. Job's method was employed for the determination of the stoichiometry of the inclusion complexes, which was found to be 2:1 for both guest-host systems. Molecular modeling studies were carried out for an in-depth characterization of the interaction between drug substance and cyclodextrins (CDs). The physicochemical properties of the supramolecular systems differ from those of RSP, demonstrating the inclusion complex formation between drug and CDs. The RSP solubility was enhanced as a result of drug encapsulation in the CDs cavity, the higher increase being obtained with DM-β-CD as host; the guest-host system RSP/DM-β-CD can thus be a starting point for further research in developing new formulations containing RSP, with enhanced bioavailability.

Thermogravimetric analysis (TGA) was carried out to study the stability of nanoformulations used for the decontamination of mycotoxins. The TGA patterns of the nanoformulations from montmorillonite clay and Cymbopogon citratus (lemongrass) extracts were assessed with temperature ranging from ambient (20°C) to 1000°C. The various nanoformulations studied included unmodified montmorillonite clay (Mont), montmorillonite washed with sodium chloride (Mont-Na), montmorillonite mixed with lemongrass essential oil (Mont-LGEO), and montmorillonite mixed with an equal quantity of lemongrass powder (Mont-LGP). There was no significant difference in the median of the various nanoformulations within 4 weeks at p < 0.05 using the Kruskal-Wallis nonparametric test. For the TGA, the first degradation for montmorillonite clay and the nanoformulations occurred at a temperature between 80 and 101°C and was attributed to the loss of lattice water outside the coordination sphere with a range of 3.5-6.5% weight loss. The second degradation occurred within the temperature of 338 to 344°C, and the third, at a temperature between 640 and 668°C for Mont and the formulations of Mont-Na, Mont-LGEO, and Mont-LGP. There were strong similarities in the degradation patterns of Mont and Mont-Na with the minimum difference being the relatively higher weight loss of the sodium-exchanged cation for Mont-Na at the third degradation step. Hence, the order of stability from the most resistant to the least resistant to degradation is as follows: Mont-LGEO ≥ Mont-Na ≥ Mont ≥ Mont-LGP., Competing Interests: The authors declare that there are no conflicts of interest regarding the publication of this paper., (Copyright © 2020 Bunmi K. Olopade et al.)

The monitoring of respiratory disorders requires breath sensors that are fast, robust, and convenient to use and can function under real time conditions. A MOF based flexible sensor is reported for the first time for breath sensing applications. The properties of a highly porous HKUST-1 MOF and a conducting MoS2 material have been combined to fabricate an electronic sensor on a flexible paper support for studying sleep apnea problems. Extensive breath sensing experiments have been performed and interestingly the fabricated sensor is efficient in detecting various kinds of breaths such as deep, fast, slow and hydrated breath. The MOF breath sensor shows a fast response time of just ∼0.38 s and excellent stability with no decline in its performance even after a month. A plausible mechanism has been proposed and a smartphone based prototype has been prepared to demonstrate the real time applications of the hybrid device. This work demonstrates great potential for the application of MOFs in healthcare with a special focus on breath sensing and sleep apnea diagnosis.

Nanocellulose crystals (NCCs) were successfully prepared via acid hydrolysis from an abundant agricultural waste (tea stalk) in China. The effective factors for NCC yield were modeled by the response surface methodology (RSM). The RSM determined the reaction conditions (H 2 SO 4 concentration, hydrolysis temperature, and reaction time) that optimized the yield of tea stalk NCCs (TNCCs). Under the optimized operating conditions, the fundamental properties of TNCCs were characterized via transmission electron microscopy (TEM), X-ray diffraction (XRD), thermogravimetric analysis (TGA), laser diffraction particle-size analyzer, and scanning probe microscopy (SPM). Wood NCCs (WNCCs) and microcrystalline NCCs (MNCCs) were simultaneously prepared from common wood and microcrystalline cellulose under the same conditions. The results show that TNCCs not only shows similar physical and chemical properties with WNCCs and MNCCs, but also has better stability. Therefore, this study offers novel routes for high-valued utilization of tea stalk and provides some theoretical guidance for utilizing cellulose obtained from tea stalk., Competing Interests: Declaration of competing interest None., (Copyright © 2020 Elsevier B.V. All rights reserved.)

The NP flame retardant ammonium salt of hydroxyethyl hexahydrotristriazine-triphosphoric acid (AHTTPA) was prepared by a one-pot synthesis method under formaldehyde-free and solvent-free conditions. The AHTTPA was finished on the biomolecule of cotton by using the dip-roll-bake method. Nuclear magnetic resonance (NMR 1 H, 13 C, and 31 P) demonstrated that AHTTPA was successfully synthesized. The flame retardancy of AHTTPA-treated cotton was studied by limiting oxygen index (LOI), vertical flaming test (VFT), scanning electron microscopy (SEM), and cone calorimetry (CC). The results from these tests indicate that AHTTPA-treated cotton exhibited favorable flame retardancy and durability (the LOI value of 40%-treated cotton after 50 laundering cycles (LCs) was 29.8%), the flame was immediately extinguished after removal from the treated cotton, no smoldering or continued burning, the burned part formed a complete carbon frame and generally maintained its original morphology, the peak heat release rate (PHRR) and total heat release (THR) of AHTTPA-treated cotton fabric were significantly lower than pure cotton. Thermogravimetric analysis (TGA) results showed that AHTTPA improved the thermal stability of cotton. The breaking strength and softness of AHTTPA-treated cotton was also retained., (Copyright © 2020. Published by Elsevier B.V.)

Lignin-Al 2 O 3 hybrids were tested as effective additives for application in abrasive materials. The main focus was on the reduction of environmental pollution. The emission of volatile compounds, mainly phenol and formaldehyde, was investigated using detailed evolved gas analysis (EGA) performed by means of mass spectroscopy (QMS) in combined differential scanning calorimetry (DSC) and thermogravimetry (TG) analysis. It was established that the addition of lignin-Al 2 O 3 hybrid additives can reduce the emission of phenol and formaldehyde. Crucially, free phenol emission was not detected from the lignin-Al 2 O 3 additives or from lignin itself using the TG-MS method. Moreover, the addition of lignin-type fillers to phenolic composites can lower emissions of the two aforementioned compounds. No emission of other toxic compounds was detected. The mechanical properties of the lignin-alumina hybrids and resin systems were investigated using the three-point flexural test (also as an element of an ageing test), a compressive test, and testing of abrasibility. The results indicate that the lignin and alumina used as a hybrid additive for abrasive materials improve the adhesion between the binder and abrasive grain, and increase the flexibility of the composites, which has a positive impact on the performance of the final products., (Copyright © 2020. Published by Elsevier B.V.)

Grafting of polyaniline (PANI) on Gum Arabic (GA) was carried out in the presence of ceric ammonium nitrate (CAN) under acidic conditions by diode laser as initiator. The grafting condition was optimized by varying the diode laser power, exposure time, concentrations of PANI, CAN, GA, reaction time and temperature were carefully optimized to achieve the highest percentage of grafting yield % GY (90%) and percentage of graft efficiency % GE (36%). The Fourier-transform infrared spectroscopy (FTIR), 1 H NMR, X-ray Diffraction (XRD), Thermogravimetric Analysis (TGA), and Scanning electron micrographs (SEM) techniques have been used for the characterization of the produced graft copolymer GA-g-PANI, which used as drug delivery carrier to control cancer in brain. This study focused to new trends and latest developments in this area where diode laser was found to be efficient and, clean method for synthesis GA-g-PANI., (Copyright © 2018. Published by Elsevier B.V.)

A multi-screening test based on the coupling of thermogravimetry and chemometrics was optimized for the differential diagnosis of hereditary hemolytic anemias. The novel test is able to simultaneously perform a simple and fast diagnosis of sickle cell anemia, thalassemia, hereditary spherocytosis and hereditary elliptocytosis in a single analysis of a few microliters of non-pretreated whole blood. The thermogravimetric profile of blood from patients affected by such disorders was found to be characteristic of a specific anemic status or a disorder due to membrane defects. In addition, chemometric tools were used to validate a model of prediction to process the thermogravimetric curves and to obtain in 1 hour an accurate diagnosis. The effectiveness of the novel test was evaluated by comparing results with the confirmatory analyses specific for each disorder. The TGA/chemometric test made it possible to perform a first level test of congenital erythrocyte defects, including the hemoglobinopathies and disorders due to membrane defects with the same accuracy of confirmatory analyses obtained by molecular investigation. In addition, the novel test was used for the diagnosis of a number of Italian difficult cases, including neonatal patients for which the conventional screening tests did not manage to obtain a diagnosis confirming the high prediction ability of the single multiscreening test.

Systematic screening for congenital erythrocyte disorders is not a common practice, due to a lack in the accuracy of the methods and to the costs of the analyses. As a consequence, the diagnosis is usually made when a severe complication occurs. This study introduces an innovative method to perform the screening of a hereditary disease characterized by erythrocyte membrane defects such as hereditary spherocytosis (HS) and hereditary elliptocytosis (HE). Blood samples from healthy donors and patients affected by HS and HE were processed by thermogravimetric analysis (TGA) and the resulting curves were analyzed by chemometrics in order to develop a model of prediction. A novel test was developed and validated by chemometrics and results were found to be in accordance with the genetic diagnosis, confirming the prediction ability of the optimized model that uses few microliters of whole non pretreated blood to perform the diagnosis of HS/HE in less than one hour.

Thiabendazole (TBZ) is a substance which has been receiving multiple important applications in several domains, from medicine and pharmaceutical sciences, to agriculture and food industry. Here, a comprehensive multi-technique investigation on the molecular and crystal properties of TBZ is reported. In addition, a new solvate of the compound is described and characterized structurally, vibrationally and thermochemically for the first time. Density functional theory (DFT) calculations were used to investigate the conformational space of thiabendazole (TBZ), revealing the existence of two conformers, the most stable planar trans form and a double-degenerated-by-symmetry gauche form, which is ~30 kJ mol -1 higher in energy than the trans conformer. The intramolecular interactions playing the major roles in determining the structure of the TBZ molecule and its conformational preferences were characterized. The UV-visible and infrared spectra of the isolated molecule (most stable trans conformer) were also calculated, and their assignment undertaken. The information obtained for the isolated molecule provided a strong basis for the understanding of the intermolecular interactions and properties of the crystalline compound. In particular, the infrared spectrum for the isolated molecule was compared with that of crystalline TBZ and the differences between the two spectra were interpreted in terms of the major intermolecular interactions existing in the solid state. The analysis of the infrared spectral data was complemented with vibrational results of up-to-date fully-periodic DFT calculations and Raman spectroscopic studies. The thermal behavior of TBZ was also investigated using differential scanning calorimetry (DSC) and thermogravimetry. Furthermore, a new TBZ-formic acid solvate [2-(1,3-thiazol-4-yl)benzimidazolium formate formic acid solvate] was synthesized and its crystal structure determined by X-ray diffraction. The Hirshfeld method was used to explore the intermolecular interactions in the crystal of the new TBZ solvate, comparing them with those present in the neat TBZ crystal. Raman spectroscopy and DSC studies were also carried out on the solvate to further characterize this species and investigate its temperature-induced desolvation.

To investigate organic field-effect transistor (OFET) properties, a new thienoacene-type molecule, 4,14-dihexyldinaphtho[2,3- d :2',3'- d ']anthra[1,2- b :5,6- b ']dithiophene (C6-DNADT), consisting of π-conjugated nine aromatic rings and two hexyl chains along the longitudinal molecular axis has been successfully synthesized by sequential reactions, including Negishi coupling, epoxidation, and cycloaromatization. The fabricated OFET using thin films of C6-DNADT exhibited p-channel FET properties with field-effect mobilities ( µ ) of up to 2.6 × 10 -2 cm 2 V -1 s -1 , which is ca. three times lower than that of the parent DNADT molecule (8.5 × 10 -2 cm 2 V -1 s -1 ). Although this result implies that the installation of relatively short alkyl chains into the DNADT core is not suitable for transistor application, the origins for the FET performance obtained in this work is fully discussed, based on theoretical calculations and solid-state structure of C6-DNADT by grazing incidence wide-angle X-ray scattering (GIWAXS) and atomic force microscopy (AFM) analyses. The results obtained in this study disclose the effect of alkyl chains introduced onto the molecule on transistor characteristics., Competing Interests: The authors declare no conflict of interest.

The present work deals with the design of the alginate, sterculia gum polysaccharide and PVP based hydrogel for brain drug delivery applications. The release dynamics of citicoline drug, a nerve regenerating agent, was evaluated. The polymers were investigated by Cryo-SEMs, AFM, FTIR, XRD, 13 C NMR, and swelling studies. The drug release occurred slowly without burst effect and followed mechanism that was approaching the Fickian diffusion mechanism and first order kinetic model. The polymer matrix showed drug loading 40.0 ± 0.8%, thrombose percentage 68.70 ± 8.95%, hemolytic index value 3.66 ± 1.65%, detachment force from the intestinal mucosa = 0.124 ± 0.04 N, and tensile strength 7.67 ± 0.40 N/mm 2 . These films were found biocompatible, antioxidant and mucoadhesive and could be explored for brain drug delivery., Competing Interests: Declaration of competing interest Authors have no conflict of financial or research interests., (Copyright © 2020 Elsevier B.V. All rights reserved.)

The present study evaluates the effect of several pharmaceutical plasticizers on the thermo-physical and physicochemical properties of partially hydrolyzed poly(vinyl alcohol) (PVA) used in fusion-based pharmaceutical formulation processes. Specifically, the effect of mannitol (MAN), sorbitol (SOR), sucrose (SUC), anhydrous citric acid (CA), triethyl citrate (TEC) and low-molecular weight polyethylene glycol (PEG400) on PVA's melting properties, physical state and thermal degradation was evaluated via differential scanning calorimetry (DSC), powder X-ray diffractometry (pXRD) and thermo-gravimetric analysis (TGA). Results showed that the use of MAN, SOR, SUC and PEG400 led to the reduction of PVA's melting onset temperature, while MAN, SUC, CA and SOR were amorphously dispersed within PVA's matrix, and the addition of SUC and CA resulted in significant reduction of PVA's crystallinity. TGA results showed the formation of thermally highly unstable PVA mixtures in the cases of CA and TEC (degradation started from ~150 °C and ~125 °C, respectively), while significant molecular interactions were identified by FTIR in the cases of PVA-MAN, PVA-SOR and PVA-SUC. Hot-stage polarized microscopy (HSM) revealed PVA's melt miscibility only with MAN and SOR, while melt flow index (MFI) measurements showed that the use of MAN, SOR and PEG400 resulted in a significant improvement of PVA's melt flow properties. Finally, MD simulations were in close agreement with the experimental observations, indicating that they can be considered as a promising tool for the theoretical modelling of such systems., Competing Interests: Declaration of Competing Interest The authors declare that they have no known competing financial interests or personal relationships that could have appeared to influence the work reported in this paper., (Copyright © 2020 Elsevier B.V. All rights reserved.)

Objectives: The study aimed to develop safe, effective, and targeted drug delivery system for administration of nonsteroidal anti-inflammatory drugs (NSAIDs) in the form of microgels. We developed pH responsive microgels to overcome the mucosal damage caused by traditional immediate release dosage forms. Colon targeting and controlled release formulations have the potential to improve efficacy and reduce undesirable effects associated with NSAIDs. Methods: The pH sensitive oral hydrogel demonstrates the potential to target the colon. Cellulose acetate phthalate (CAP) and hydroxyethyl methacrylate (HEMA) based microgel particles were produced using a free radical polymerization technique using ammonium persulfate (APS) initiator and methylenebisacrylamide (MBA) as the crosslinking agent. Swelling and in-vitro drug release studies were performed at a range of pH conditions. The produced formulations were characterized using Fourier transform infrared spectroscopy, thermogravimetric analysis, differential scanning calorimetry, scanning electron microscopy (SEM), and X-ray diffraction. Biocompatibility of the microgels was analyzed in cytotoxicity studies. Key findings: The swelling and release rate were negligible at pH 1.2, which confirmed the pH-responsiveness of CAP- co -poly(HEMA). The co-polymeric system prevents the release of ketoprofen sodium in the stomach owing to limited swelling at gastric pH, whilst promoting release at the basic pH observed in the colon. SEM images confirmed porous nature of the microgels that facilitate effective drug diffusion through the polymeric matrix. Cytotoxicity studies revealed biocompatibility of hydrogels. Conclusion: These investigations showed that that the controlled drug release and gastro-protective drug delivery of NSAIDS was achieved using CAP- co -poly(HEMA) microgel particles.

Occupational lung diseases such as coal worker's pneumoconiosis, often called black lung, are caused by exposures to respirable coal mine dust. Dust composition is increasingly understood as an important disease factor, and it can vary significantly depending on dust source materials and generation processes. For regulatory compliance purposes, the mass concentration and quartz percentage of respirable dust are monitored in U.S. coal mines, but the whole composition is not typically determined. Previous work has indicated that thermogravimetric analysis (TGA) can be used to apportion the respirable dust mass to three important component fractions (i.e., coal, non-carbonate minerals, and carbonate), which should generally correlate with three different dust sources (i.e., coal strata, rock strata, and limestone rock dusting products being applied in the mine). However, a primary shortcoming of that previous work was use of fibrous sampling filters, which limited dust recovery and thus analytical accuracy. Here, an improved TGA application is presented using smooth polycarbonate filters. Based on experiments with laboratory-generated dust samples (masses ranging between 95-1,319 µg), the TGA-derived mass fractions (reported as percentage values) for all three components were found to generally be within ±10% of expected values.