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Keywords = DSC deconvolution

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10 pages, 1463 KB  
Article
Exploring Plasma Proteome Thermal Stability in Peripheral Arterial Disease: Biophysical Findings Under Cilostazol Therapy
by Dorottya Szabó, László Benkő and Dénes Lőrinczy
Pharmaceuticals 2025, 18(6), 886; https://doi.org/10.3390/ph18060886 - 13 Jun 2025
Viewed by 704
Abstract
Introduction: Intermittent claudication, an early symptom of peripheral artery disease, can be treated by cilostazol to alleviate symptoms and improve walking distance. Our previous investigation focused on cilostazol-induced alterations in the thermodynamic properties of plasma, utilizing differential scanning calorimetry (DSC) as a [...] Read more.
Introduction: Intermittent claudication, an early symptom of peripheral artery disease, can be treated by cilostazol to alleviate symptoms and improve walking distance. Our previous investigation focused on cilostazol-induced alterations in the thermodynamic properties of plasma, utilizing differential scanning calorimetry (DSC) as a potential monitoring tool. The current proof-of-concept study aimed to enhance the interpretation of DSC data through deconvolution techniques, specifically examining protein transitions within the plasma proteome during cilostazol therapy. Results: Notable differences in thermal unfolding profiles were found between cilostazol-treated patients and healthy controls. The fibrinogen-associated transition exhibited a downward shift in denaturation temperature and decreased enthalpy by the third month. The albumin-related transition shifted to higher temperatures, accompanied by lower enthalpy. Transitions associated with globulins showed changes in thermal stability, while the transferrin-related peak demonstrated increased structural rigidity in treated patients compared to controls. Discussion: These observations suggest that cilostazol induces systemic changes in the thermodynamic behavior of plasma proteins. DSC, when combined with deconvolution methods, presents a promising approach for detecting subtle, therapy-related alterations in plasma protein stability. Materials and methods: Ten patients (median age: 58.6 years) received 100 milligrams of cilostazol twice daily. Blood samples were collected at the baseline and after 2 weeks, 1 month, 2 months, and 3 months of therapy. Walking distances were also assessed. The DSC curves were retrieved from the thermal analysis investigated by deconvolution mathematical methods. Conclusions: Although the exact functional consequences remain unclear, the observed biophysical changes may reflect broader molecular adaptations involving protein–protein interactions, post-translational modifications, or acute phase response elements. Full article
(This article belongs to the Special Issue Advances in Medicinal Chemistry: 2nd Edition)
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33 pages, 5225 KB  
Review
A Study of the Dielectric Relaxation of Nitrile–Butadiene Rubber, Ethylene–Propylene–Diene Monomer, and Fluoroelastomer Polymers with a Self-Developed Deconvolution Analysis Program
by Youngil Moon, Gyunghyun Kim and Jaekap Jung
Polymers 2025, 17(11), 1539; https://doi.org/10.3390/polym17111539 - 31 May 2025
Viewed by 2319
Abstract
This study presents an integrated analysis of the dielectric characteristics of nitrile–butadiene rubber (NBR), ethylene–propylene–diene monomer (EPDM), and fluoroelastomer (FKM) polymers. Dispersion spectra were obtained over a wide range of frequencies and temperatures, and, via our self-developed “Dispersion Analysis” program, the obtained dielectric [...] Read more.
This study presents an integrated analysis of the dielectric characteristics of nitrile–butadiene rubber (NBR), ethylene–propylene–diene monomer (EPDM), and fluoroelastomer (FKM) polymers. Dispersion spectra were obtained over a wide range of frequencies and temperatures, and, via our self-developed “Dispersion Analysis” program, the obtained dielectric spectra were precisely deconvoluted. Notably, α, α’, β, and γ relaxation phenomena, including the DC conduction process, were identified in NBR, whereas three relaxation processes, namely, α, β, and the Maxwell‒Wagner‒Sillars (MWS) process, as well as DC conduction, were observed in EPDM and FKM copolymers. The activation energies (Ea) for secondary relaxation—namely, β, γ, and MWS—and the DC conduction process, which are observed in NBR, EPDM, and FKM, were determined via the Arrhenius temperature dependence model, and these values were compared with previously published results. Furthermore, the glass transition temperature (Tg), extrapolated from the relaxation rate of the α process, was estimated via the Vogel–Fulcher–Tamman–Hesse (VFTH) law. The values of Tg obtained using dielectric spectroscopy for NBR, EPDM, and FKM agreed well with the differential scanning calorimetry (DSC) measurements. This study provides foundational insights into the dielectric properties of widely used rubber polymers, offering a comprehensive reference for future research. Full article
(This article belongs to the Section Polymer Physics and Theory)
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28 pages, 17488 KB  
Article
Attentive Multi-Scale Features with Adaptive Context PoseResNet for Resource-Efficient Human Pose Estimation
by Ali Zakir, Sartaj Ahmed Salman, Gibran Benitez-Garcia and Hiroki Takahashi
Electronics 2025, 14(11), 2107; https://doi.org/10.3390/electronics14112107 - 22 May 2025
Viewed by 1093
Abstract
Human Pose Estimation (HPE) remains challenging due to scale variation, occlusion, and high computational costs. Standard methods often struggle to capture detailed spatial information when keypoints are obscured, and they typically rely on computationally expensive deconvolution layers for upsampling, making them inefficient for [...] Read more.
Human Pose Estimation (HPE) remains challenging due to scale variation, occlusion, and high computational costs. Standard methods often struggle to capture detailed spatial information when keypoints are obscured, and they typically rely on computationally expensive deconvolution layers for upsampling, making them inefficient for real-time or resource-constrained scenarios. We propose AMFACPose (Attentive Multi-scale Features with Adaptive Context PoseResNet) to address these limitations. Specifically, our architecture incorporates Coordinate Convolution 2D (CoordConv2d) to retain explicit spatial context, alleviating the loss of coordinate information in conventional convolutions. To reduce computational overhead while maintaining accuracy, we utilize Depthwise Separable Convolutions (DSCs), separating spatial and pointwise operations. At the core of our approach is an Adaptive Feature Pyramid Network (AFPN), which replaces costly deconvolution-based upsampling by efficiently aggregating multi-scale features to handle diverse human poses and body sizes. We further introduce Dual-Gate Context Blocks (DGCBs) that refine global context to manage partial occlusions and cluttered backgrounds. The model integrates Squeeze-and-Excitation (SE) blocks and the Spatial–Channel Refinement Module (SCRM) to emphasize the most informative feature channels and spatial regions, which is particularly beneficial for occluded or overlapping keypoints. For precise keypoint localization, we replace dense heatmap predictions with coordinate classification using Multi-Layer Perceptron (MLP) heads. Experiments on the COCO and CrowdPose datasets demonstrate that AMFACPose surpasses the existing 2D HPE methods in both accuracy and computational efficiency. Moreover, our implementation on edge devices achieves real-time performance while preserving high accuracy, confirming the suitability of AMFACPose for resource-constrained pose estimation in both benchmark and real-world environments. Full article
(This article belongs to the Special Issue Image Processing Based on Convolution Neural Network: 2nd Edition)
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11 pages, 951 KB  
Communication
Deconvolution Analysis of G and F-Actin Unfolding: Insights into the Thermal Stability and Structural Modifications Induced by PACAP
by Péter Bukovics and Dénes Lőrinczy
Int. J. Mol. Sci. 2025, 26(7), 3336; https://doi.org/10.3390/ijms26073336 - 3 Apr 2025
Cited by 1 | Viewed by 804
Abstract
Actin, a key component of the cytoskeleton, undergoes significant structural and thermal changes in response to various regulatory factors, including the neuropeptide pituitary adenylate cyclase-activating polypeptide (PACAP). In this study, we applied deconvolution analysis to previously obtained differential scanning calorimetry (DSC) data to [...] Read more.
Actin, a key component of the cytoskeleton, undergoes significant structural and thermal changes in response to various regulatory factors, including the neuropeptide pituitary adenylate cyclase-activating polypeptide (PACAP). In this study, we applied deconvolution analysis to previously obtained differential scanning calorimetry (DSC) data to resolve overlapping thermal transitions in G- and F-actin unfolding. Our findings reveal that PACAP38 and PACAP6-38 significantly alter actin stability, increasing structural cooperativity in G-actin while reducing monomer–monomer interactions in F-actin. These thermodynamic changes suggest a potential role for PACAP in modulating actin polymerization and depolymerization dynamics, contributing to cytoskeletal remodeling. Full article
(This article belongs to the Collection Feature Papers in Molecular Biophysics)
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13 pages, 5131 KB  
Article
Cold Pressed Oil from Japanese Quince Seeds (Chaenomeles japonica): Characterization Using DSC, Spectroscopic, and Monolayer Data
by Wiktoria Kamińska, Grażyna Neunert, Przemysław Siejak, Krzysztof Polewski and Jolanta Tomaszewska-Gras
Molecules 2025, 30(3), 477; https://doi.org/10.3390/molecules30030477 - 22 Jan 2025
Cited by 2 | Viewed by 1111
Abstract
The cold-pressed oil from Japanese quince seeds (JQSO) is notable for its favorable fatty acid profile, low oxidation rate, and bioactive compounds like antioxidants, sterols, and carotenoids. This study offers a detailed molecular-level physical characterization of JQSO and its minor components using differential [...] Read more.
The cold-pressed oil from Japanese quince seeds (JQSO) is notable for its favorable fatty acid profile, low oxidation rate, and bioactive compounds like antioxidants, sterols, and carotenoids. This study offers a detailed molecular-level physical characterization of JQSO and its minor components using differential scanning calorimetry (DSC), Langmuir monolayer studies, and various spectroscopic methods, including UV–vis absorption, fluorescence, and FTIR. DSC analysis identified five peaks related to triglyceride (TG) fractions and provided insights into the melting and crystallization behavior of JQSO. The Langmuir monolayer studies revealed high compressibility, indicative of superior emulsification properties. Viscoelastic modulus measurements suggested strong intermolecular interactions, contributing to the oil’s resilience under stress—an attribute typical of oils high in saturated or monounsaturated fatty acids. Spectroscopic methods confirmed the presence of phenolic acids, tocopherols, carotenoids, and their derivatives. The total fluorescence spectra highlighted prominent peaks at 290 nm/330 nm and 360 nm/440 nm, while the total synchronous fluorescence spectra revealed key excitation–emission regions (10–50 nm/300 nm and 40–140 nm/360 nm), corroborating the presence of tocopherols, phenols, polyphenols, flavones, and carotenoids. No evidence of chlorophyll was detected. The ATR-FTIR spectra validated the presence of fatty acids and triacylglycerols, emphasizing a high degree of esterification and the dominance of unsaturated fatty acids in oil structures. The methods used provided the opportunity to perform a label-free, fast, and reliable determination of the properties of JQSO. The findings confirmed that crude, cold-pressed JQSO retains its valuable bioactive components, aligning with previous research on its chemical and physical properties. Full article
(This article belongs to the Special Issue Analyses and Applications of Phenolic Compounds in Food—2nd Edition)
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18 pages, 5210 KB  
Article
Isolation and Characterization of Novel Cellulose Micro/Nanofibers from Lygeum spartum Through a Chemo-Mechanical Process
by Sabrina Ahmima, Nacira Naar, Patryk Jędrzejczak, Izabela Klapiszewska, Łukasz Klapiszewski and Teofil Jesionowski
Polymers 2024, 16(21), 3001; https://doi.org/10.3390/polym16213001 - 25 Oct 2024
Cited by 2 | Viewed by 1475
Abstract
Recent studies have focused on the development of bio-based products from sustainable resources using green extraction approaches, especially nanocellulose, an emerging nanoparticle with impressive properties and multiple applications. Despite the various sources of cellulose nanofibers, the search for alternative resources that replace wood, [...] Read more.
Recent studies have focused on the development of bio-based products from sustainable resources using green extraction approaches, especially nanocellulose, an emerging nanoparticle with impressive properties and multiple applications. Despite the various sources of cellulose nanofibers, the search for alternative resources that replace wood, such as Lygeum spartum, a fast-growing Mediterranean plant, is crucial. It has not been previously investigated as a potential source of nanocellulose. This study investigates the extraction of novel cellulose micro/nanofibers from Lygeum spartum using a two-step method, including both alkali and mechanical treatment as post-treatment with ultrasound, as well as homogenization using water and dilute alkali solution as a solvent. To determine the structural properties of CNFs, a series of characterization techniques was applied. A significant correlation was observed between the Fourier transform infrared (FTIR) spectroscopy and X-ray diffraction (XRD) results. The FTIR results revealed the elimination of amorphous regions and an increase in the energy of the H-bonding modes, while the XRD results showed that the crystal structure of micro/nanofibers was preserved during the process. In addition, they indicated an increase in the crystallinity index obtained with both methods (deconvolution and Segal). Thermal analysis based on thermogravimetric analysis (TGA) and differential scanning calorimetry (DSC) confirmed improvement in the thermal properties of the isolated micro/nanofibers. The temperatures of maximum degradation were 335 °C and 347 °C. Morphological analysis using a scanning electron microscope (SEM) and atomic force microscope (AFM) showed the formation of fibers along the axis, with rough and porous surfaces. The findings indicate the potential of Lygeum spartum as a source for producing high-quality micro/nanofibers. A future direction of study is to use the cellulose micro/nanofibers as additives in recycled paper and to evaluate the mechanical properties of the paper sheets, as well as investigate their use in smart paper. Full article
(This article belongs to the Section Biobased and Biodegradable Polymers)
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15 pages, 5064 KB  
Article
Adaptation of a Differential Scanning Calorimeter for Simultaneous Electromagnetic Measurements
by John W. Wilson, Mohsen A. Jolfaei, Adam D. Fletcher, Carl Slater, Claire Davis and Anthony J. Peyton
Sensors 2024, 24(18), 6077; https://doi.org/10.3390/s24186077 - 20 Sep 2024
Viewed by 1943
Abstract
Although much information can be gained about thermally induced microstructural changes in metals through the measurement of their thermophysical properties using a differential scanning calorimeter (DSC), due to competing influences on the signal, not all microstructural changes can be fully characterised this way. [...] Read more.
Although much information can be gained about thermally induced microstructural changes in metals through the measurement of their thermophysical properties using a differential scanning calorimeter (DSC), due to competing influences on the signal, not all microstructural changes can be fully characterised this way. For example, accurate characterisation of recrystallisation, tempering, and changes in retained delta ferrite in alloyed steels becomes complex due to additional signal changes due to the Curie point, oxidation, and the rate (and therefore the magnitude) of transformation. However, these types of microstructural changes have been shown to invoke strong magnetic and electromagnetic (EM) responses; therefore, simultaneous EM measurements can provide additional complementary data which can help to emphasise or deconvolute these complex signals and develop a more complete understanding of certain metallurgical phenomena. This paper discusses how a DSC machine has been modified to incorporate an EM sensor consisting of two copper coils printed onto either side of a ceramic substrate, with one coil acting as a transmitter and the other as a receiver. The coil is interfaced with a custom-built data acquisition system, which provides current to the transmit coil, records signals from the receive coil, and is controlled by a graphical user interface which allows the user to select multiple excitation frequencies. The equipment has a useable frequency range of approximately 1–100 kHz and outputs phase and magnitude readings at a rate of approximately 50 samples per second. Simultaneous DSC-EM measurements were performed on a nickel sample up to a temperature of 600 °C, with the reversable ferromagnetic to paramagnetic transition in the nickel sample invoking a clear EM response. The results show that the combined DSC-EM apparatus has the potential to provide a powerful tool for the analysis of thermally induced microstructural changes in metals, feeding into research on steel production, development of magnetic and conductive materials, and many more areas. Full article
(This article belongs to the Special Issue Advances and Applications of Magnetic Sensors)
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28 pages, 16513 KB  
Article
Thermokinetic and Chemorheology of the Geopolymerization of an Alumina-Rich Alkaline-Activated Metakaolin in Isothermal and Dynamic Thermal Scans
by Raffaella Aversa, Laura Ricciotti, Valeria Perrotta and Antonio Apicella
Polymers 2024, 16(2), 211; https://doi.org/10.3390/polym16020211 - 11 Jan 2024
Cited by 4 | Viewed by 1730
Abstract
Alkaline sodium hydroxide/sodium silicate-activating high-purity metakaolin geopolymerization is described in terms of metakaolin deconstruction in tetrahedral hydrate silicate [O[Si(OH)3]] and aluminate [Al(OH)4] ionic precursors followed by their reassembling in linear and branched sialates monomers that randomly copolymerize [...] Read more.
Alkaline sodium hydroxide/sodium silicate-activating high-purity metakaolin geopolymerization is described in terms of metakaolin deconstruction in tetrahedral hydrate silicate [O[Si(OH)3]] and aluminate [Al(OH)4] ionic precursors followed by their reassembling in linear and branched sialates monomers that randomly copolymerize into an irregular crosslinked aluminosilicate network. The novelty of the approach resides in the concurrent thermo-calorimetric (differential scanning calorimetry, DSC) and rheological (dynamic mechanical analysis, DMA) characterizations of the liquid slurry during the transformation into a gel and a structural glassy solid. Tests were run either in temperature scan (1 °C/min) or isothermal (20 °C, 30 °C, 40 °C) cure conditions. A Gaussian functions deconvolution method has been applied to the DSC multi-peak thermograms to separate the kinetic contributions of the oligomer’s concurrent reactions. DSC thermograms of all tested materials are well-fitted by a combination of three overlapping Gaussian curves that are associated with the initial linear low-molecular-weight (Mw) oligomers (P1) formation, oligomers branching into alumina-rich and silica-rich gels (P2), and inter- and intra-molecular crosslinking (P3). The loss factor has been used to define viscoelastic behavioral zones for each DMA rheo-thermogram operated in the same DSC thermal conditions. Macromolecular evolution and viscoelastic properties have been obtained by pairing the deconvoluted DSC thermograms with the viscoelastic behavioral zones of the DMA rheo-thermograms. Two main chemorheological behaviors have been identified relative to pre- and post-gelation separation of the viscoelastic liquid from the viscoelastic solid. Each comprises three behavioral zones, accounting for the concurrently occurring linear and branching oligomerization, aluminate-rich and silica-rich gel nucleations, crosslinking, and vitrification. A “rubbery plateau” in the loss factor path, observed for all the testing conditions, identifies a large behavioral transition zone dividing the incipient gelling liquid slurry from the material hard setting and vitrification. Full article
(This article belongs to the Section Innovation of Polymer Science and Technology)
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19 pages, 8972 KB  
Article
Judd–Ofelt Analysis and Spectroscopy Study of Tellurite Glasses Doped with Rare-Earth (Nd3+, Sm3+, Dy3+, and Er3+)
by Naziha Boudchicha, Mostepha Iezid, Faycal Goumeidane, Messaoud Legouera, P. Syam Prasad and P. Venkateswara Rao
Materials 2023, 16(21), 6832; https://doi.org/10.3390/ma16216832 - 24 Oct 2023
Cited by 16 | Viewed by 2566
Abstract
A series of glasses based on (80-y) TeO2-20 BiCl3-y RE2O3 (y = 0, 0.6 mol%; RE = Nd, Sm, Dy, and Er) were prepared. The thermal stability of the glass was determined by differential scanning calorimetry [...] Read more.
A series of glasses based on (80-y) TeO2-20 BiCl3-y RE2O3 (y = 0, 0.6 mol%; RE = Nd, Sm, Dy, and Er) were prepared. The thermal stability of the glass was determined by differential scanning calorimetry (DSC). The density and optical energy values of the prepared glass increased in the order of Sm2O3, Nd2O3, Dy2O3, and Er2O3. In addition, the glass doped with Er2O3 had the highest refractive index values compared to the other samples. Subsequently, Judd–Ofelt parameters (Ω2, Ω4, and Ω6) were obtained for the family of RE3+ trivalent rare-earth ions introduced as dopants in a tellurite glass. These parameters were calculated from the absorption spectra for each RE3+. The structures were studied by Raman spectroscopy deconvolution, which determined that TeO4, TeO3, TeO3+1, BiO6, and BiCl6 units had formed. In addition, the structural changes in the glass are related to the intensity ratio of TeO4/TeO3, depending on the type of rare-earth. For the optics and Judd–Ofelt parameters, the ray spectroscopy results of the prepared glass show that it is a good candidate for nonlinear optics fibers, a solid laser material. Full article
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17 pages, 3766 KB  
Article
DSC Phase Transition Profiles Analyzed by Control Charts to Determine Markers for the Authenticity and Deterioration of Flaxseed Oil during Storage
by Mahbuba Islam, Anna Kaczmarek, Anna Grygier and Jolanta Tomaszewska-Gras
Foods 2023, 12(15), 2954; https://doi.org/10.3390/foods12152954 - 4 Aug 2023
Cited by 3 | Viewed by 2517
Abstract
An approach of implementing X-bar and R control charts as a statistical control tool to monitor the changes in the melting profile of fresh and stored flaxseed oils by differential scanning calorimetry (DSC) was used. Phase transition melting profiles were collected after 0, [...] Read more.
An approach of implementing X-bar and R control charts as a statistical control tool to monitor the changes in the melting profile of fresh and stored flaxseed oils by differential scanning calorimetry (DSC) was used. Phase transition melting profiles were collected after 0, 2, 4, and 6 months of storing flaxseed oils, originating from five different cultivars. Four peaks at around −36, −30, −25, and −12 °C were identified using the deconvolution analysis procedure, which enabled the data to be collected at peak temperature (T), peak height (h), the peak area (A), and the percentages of the area (P A), as well as the ratio calculated from these parameters. Control charts obtained for the second peak of the melting profile showed a significant decrease of peak height (h2) from 0.50 to 0.39 W/g and the percentage of the area (P A2) from 50 to 38%, within the storage time (p ≤ 0.05); thus, they were considered to be indicators of oil deterioration. Strong negative correlations of the unstable parameters of DSC with chemical indicators of the oils’ oxidative stability (PV, p-AV, TOTOX) were found. For DSC parameters, related to the first peak (h1, A1) and the third peak (h3, A3), changes were statistically not significant within storage (p > 0.05); thus, they can be used as markers of flaxseed oil authenticity. The study demonstrated that X-bar and R control charts could effectively monitor changes in the specific peaks and calculated ratios from the DSC melting profile of fresh and stored flaxseed oils, serving as reliable indicators of oil deterioration. Full article
(This article belongs to the Special Issue Plant Oil: Processing, Chemical Contents and Nutritional Effects)
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17 pages, 7727 KB  
Article
Chitosan/PVA Nanofibers as Potential Material for the Development of Soft Actuators
by Rigel Antonio Olvera Bernal, Roman Olegovich Olekhnovich and Mayya Valerievna Uspenskaya
Polymers 2023, 15(9), 2037; https://doi.org/10.3390/polym15092037 - 25 Apr 2023
Cited by 63 | Viewed by 6396
Abstract
Chitosan/PVA nanofibrous electroresponsive soft actuators were successfully obtained using an electrospinning process, which showed fast speed displacement under an acidic environment. Chitosan/PVA nanofibers were prepared and characterized, and their electroactive response was tested. Chitosan/PVA nanofibers were electrospun from a chitosan/PVA solution at different [...] Read more.
Chitosan/PVA nanofibrous electroresponsive soft actuators were successfully obtained using an electrospinning process, which showed fast speed displacement under an acidic environment. Chitosan/PVA nanofibers were prepared and characterized, and their electroactive response was tested. Chitosan/PVA nanofibers were electrospun from a chitosan/PVA solution at different chitosan contents (2.5, 3, 3.5, and 4 wt.%). Nanofibers samples were characterized using Fourier transform infrared analyses, thermogravimetric analysis (TGA), differential scanning calorimetry (DSC), optical microscopy, and tensile test. The electroactive behavior of the nanofiber hydrogels was tested under different HCl pH (2–6) under a constant voltage (10 V). The electroactive response test showed a dependence between the nanofiber’s chitosan content and pH with the bending speed displacement, reaching a maximum speed displacement of 1.86 mm−1 in a pH 3 sample with a chitosan content of 4 wt.%. The results of the electroactive response were further supported by the determination of the proportion of free amine groups, though deconvoluting the FTIR spectra in the range of 3000–3700 cm−1. Deconvolution results showed that the proportion of free amine increased as the chitosan content was higher, being 3.6% and 4.59% for nanofibers with chitosan content of 2.5 and 4 wt.%, respectively. Full article
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21 pages, 6158 KB  
Article
A Relatively Simple Look at the Rather Complex Crystallization Kinetics of PLLA
by Jorge López-Beceiro, Ana-María Díaz-Díaz, Enrique Fernández-Pérez, Ignatius Ferreira, Walter W. Focke and Ramón Artiaga
Polymers 2023, 15(8), 1880; https://doi.org/10.3390/polym15081880 - 14 Apr 2023
Cited by 6 | Viewed by 2512
Abstract
This work demonstrates that, despite the existence of a significant number of works on PLA crystallization, there is still a relatively simple way, different from those already described, in which its complex kinetics can be observed. The X-ray diffraction (XRD) results presented here [...] Read more.
This work demonstrates that, despite the existence of a significant number of works on PLA crystallization, there is still a relatively simple way, different from those already described, in which its complex kinetics can be observed. The X-ray diffraction (XRD) results presented here confirm that the PLLA under study crystallizes mostly in the α and α′ forms. An interesting observation is that at any temperature in the studied range of the patterns, the X-ray reflections stabilize with a given shape and at a given angle, different for each temperature. That means that both α and α′ forms coexist and are stable at the same temperatures so that the shape of each pattern results from both structures. However, the patterns obtained at each temperature are different because the predominance of one crystal form over the other depends on temperature. Thus, a two-component kinetic model is proposed to account for both crystal forms. The method involves the deconvolution of the exothermic DSC peaks using two logistic derivative functions. The existence of the rigid amorphous fraction (RAF) in addition to the two crystal forms increases the complexity of the whole crystallization process. However, the results presented here show that a two-component kinetic model can reproduce the overall crystallization process fairly well over a broad range of temperatures. The method used here for PLLA may be useful for describing the isothermal crystallization processes of other polymers. Full article
(This article belongs to the Special Issue Biopolymer-Based Materials towards the Sustainable Development Goals)
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18 pages, 13940 KB  
Article
Characterization, Kinetic Using Deconvolution Techniques and Thermodynamic Study of Synthetic MgHPO4·3H2O
by Saifon Kullyakool, Somphob Thompho, Banjong Boonchom and Pesak Rungrojchaipon
Crystals 2023, 13(4), 567; https://doi.org/10.3390/cryst13040567 - 27 Mar 2023
Cited by 4 | Viewed by 2524
Abstract
MgHPO4·3H2O was synthesized via a simple wet reaction and transformed to its final decomposed product, Mg2P2O7 at 873 K. The thermal properties, vibrational modes of block units, and solid phases of the synthetic compounds [...] Read more.
MgHPO4·3H2O was synthesized via a simple wet reaction and transformed to its final decomposed product, Mg2P2O7 at 873 K. The thermal properties, vibrational modes of block units, and solid phases of the synthetic compounds have been investigated by TG/DTG/DTA, FTIR, and XRD techniques. The temperature dependence of thermodynamic properties estimated from the DSC data occurred in two regions (before and after the dehydration reaction) indicating a characteristic of the prepared MgHPO4·3H2O sample. The dehydration reactions of 3.5 mol of water molecules in the structure overlapped in the temperature of 363–823 K and showed the phase transition at 921 K as revealed by TG/DTG/DTA. The deconvolution technique using the newly modified co-mathematical functions was used to separate the overlapped dehydration steps in the DTG curve, which obtained the three steps. Only the first and second steps were estimated using kinetic triplet parameters (Ea, A, and model), which indicate the single dehydration mechanism with the A1.25 model and the multi-step of a parallel mechanism with the A1.6 model, respectively. The data of kinetics and thermodynamics play key points in theoretical study, application development, and industrial production of magnesium phosphates as a theoretical basis. Full article
(This article belongs to the Special Issue Recent Developments of Inorganic Crystalline Materials)
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17 pages, 1572 KB  
Review
Thermodynamic Sensitivity of Blood Plasma Components in Patients Afflicted with Skin, Breast and Pancreatic Forms of Cancer
by Andrea Ferencz, Dávid Szatmári and Dénes Lőrinczy
Cancers 2022, 14(24), 6147; https://doi.org/10.3390/cancers14246147 - 13 Dec 2022
Cited by 8 | Viewed by 2269
Abstract
According to the World Health Organization’s 2018 Global Cancer Survey, cancer is the second leading cause of death. From this survey, the third most common is breast cancer, the fifth is melanoma malignum and pancreatic adenocarcinoma ranks twentieth. Undoubtedly, the early diagnosis and [...] Read more.
According to the World Health Organization’s 2018 Global Cancer Survey, cancer is the second leading cause of death. From this survey, the third most common is breast cancer, the fifth is melanoma malignum and pancreatic adenocarcinoma ranks twentieth. Undoubtedly, the early diagnosis and monitoring of these tumors and related research is important for aspects of patient care. The aim of our present review was to explain an impressive methodology that is deemed suitable in reference to studying blood sample deviations in the case of solid tumors. Essentially, we compared the heat denaturation responses of blood plasma components through differential scanning calorimetry (DSC). In the control, between five and seven separable components can be detected, in which the primary component was albumin, while in the case of tumorous patients, the peaks of immunoglobulins were dominant. Moreover, the shape of the plasma DSC curves changed with a shift in the higher temperature ranges; thus, their pattern can be used as a suitable marker of direct immunological responses. The further development of the analysis of DSC curves raises the possibility of the early diagnosis of a potential tumor, the monitoring of diseases, or testing the efficacy of the therapy from a single drop of blood. Full article
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16 pages, 2911 KB  
Article
Probabilistic Genotyping of Single Cell Replicates from Mixtures Involving First-Degree Relatives Prevents the False Inclusions of Non-Donor Relatives
by Kaitlin Huffman and Jack Ballantyne
Genes 2022, 13(9), 1658; https://doi.org/10.3390/genes13091658 - 15 Sep 2022
Cited by 8 | Viewed by 2861
Abstract
Analysis of complex DNA mixtures comprised of related individuals requires a great degree of care due to the increased risk of falsely including non-donor first-degree relatives. Although alternative likelihood ratio (LR) propositions that may aid in the analysis of these difficult cases can [...] Read more.
Analysis of complex DNA mixtures comprised of related individuals requires a great degree of care due to the increased risk of falsely including non-donor first-degree relatives. Although alternative likelihood ratio (LR) propositions that may aid in the analysis of these difficult cases can be employed, the prior information required for their use is not always known, nor do these alternative propositions always prevent false inclusions. For example, with a father/mother/child mixture, conditioning the mixture on the presence of one of the parents is recommended. However, the definitive presence of the parent(s) is not always known and an assumption of their presence in the mixture may not be objectively justifiable. Additionally, the high level of allele sharing seen with familial mixtures leads to an increased risk of underestimating the number of contributors (NOC) to a mixture. Therefore, fully resolving and identifying each of the individuals present in familial mixtures and excluding related non-donors is an important goal of the mixture deconvolution process and can be of great investigative value. Here, firstly, we further investigated and confirmed the problems encountered with standard bulk analysis of familial mixtures and demonstrated the ability of single cell analysis to fully distinguish first-degree relatives (FDR). Then, separation of each of the individual donors via single cell analysis was carried out by a combination of direct single cell subsampling (DSCS), enhanced DNA typing, and probabilistic genotyping, and applied to three complex familial 4-person mixtures resulting in a probative gain of LR for all donors and an accurate determination of the NOC. Significantly, non-donor first-degree relatives that were falsely included (LRs > 102–108) by a standard bulk sampling and analysis approach were no longer falsely included using DSCS. Full article
(This article belongs to the Special Issue Improved Methods in Forensic DNA Analysis)
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