Molecular-Network Transformations in Tetra-Arsenic Triselenide Glassy Alloys Tuned within Nanomilling Platform.

Polyamorphic transformations driven by high-energy mechanical ball milling (nanomilling) are recognized in a melt-quenched glassy alloy of tetra-arsenic triselenide (As4Se3). We employed XRPD analysis complemented by thermophysical heat-transfer and micro-Raman spectroscopy studies. A straightforward interpretation of the medium-range structural response to milling-driven reamorphization is developed within a modified microcrystalline model by treating diffuse peak-halos in the XRPD patterns of this alloy as a superposition of the Bragg-diffraction contribution from inter-planar correlations, which are supplemented by the Ehrenfest-diffraction contribution from inter-atomic and/or inter-molecular correlations related to derivatives of thioarsenide As4Sen molecules, mainly dimorphite-type As4Se3 ones. These cage molecules are merely destroyed under milling, facilitating the formation of a polymerized network with enhanced calorimetric heat-transfer responses. Disruption of intermediate-range ordering, due to weakening of the FSDP (the first sharp diffraction peak), accompanied by an enhancement of extended-range ordering, due to fragmentation of structural entities responsible for the SSDP (the second sharp diffraction peak), occurs as an interplay between medium-range structural levels in the reamorphized As4Se3 glass alloy. Nanomilling-driven destruction of thioarsenide As4Sen molecules followed by incorporation of their remnants into a glassy network is proved by micro-Raman spectroscopy. Microstructure scenarios of the molecular-to-network polyamorphic transformations caused by the decomposition of the As4Se3 molecules and their direct destruction under grinding are recognized by an ab initio quantum-chemical cluster-modeling algorithm.

An Experimental and Clinical Study of Flap Monitoring with an Analysis of the Clinical Course of the Flap Using an Infrared Thermal Camera.

Flap surgery is a common method used to cover defects following tumor ablation, trauma, or infection. However, insufficient vascularity in the transferred flap can lead to flap necrosis and failure. Proper postoperative monitoring is essential to prevent these complications. Recently, research has explored the use of infrared thermal imaging in plastic surgery, leading to its clinical application. This study comprises two separate parts: an in vivo experimental study and a clinical study. In this study, 28 rats underwent reverse McFarlane flap surgery, and their flaps were analyzed using a FLIR thermal imaging camera seven days post-surgery. Additionally, thermal images of flaps were taken on postoperative days 0, 1, 2, 3, and 7 in 22 patients. This study focused on temperature differences between normal skin and the perforator compared to the average flap temperature. Results showed that the temperature difference was higher in the necrosis group and increased over time in cases of total necrosis. A lower perforator temperature compared to the flap's average indicated vascular compromise, potentially leading to flap failure. The FLIR camera, being contact-free and convenient, shows promise for understanding and inferring the clinical progression of flaps in postoperative monitoring.

Design of X-Band Circulator and Isolator for High-Peak-Power Applications.

This paper presents a design of a X-band circulator-isolator for handling high-peak-power applications. The device consists of two cascade-connected ferrite circulators, with one dedicated to transmission and the other to small-signal reception coupled with high-power signal isolation. To improve the power capacity, a layer of poly-tetra fluoroethylene (PTFE) film is placed above and below the circulator's and the isolator's center conductors. Measurement results show that the device is capable of withstanding a peak power of 7000 W, with an insertion loss of <0.3 dB at the transmitting port. Similarly, it sustains a peak power of 6000 W with an insertion loss of <0.5 dB at the reception port. Moreover, the proposed design achieved isolation between the transmitting and receiving ends of >20 dB with a VSWR < 1.2 at each port. Thermal analysis shows that the maximum relative ambient temperature rise is 15.11 ∘C. These findings show that the proposed device achieves low-loss transmission of high-peak-power signals in the transmit channel and reverse isolation of high-peak-power signals in the receive channel.

Chemical characterisation, thermal analysis, and antibacterial activity of honeys from Caatinga stingless bees of Melipona spp.

In the present study, chemical characterisation, thermal analysis and antibacterial activity of honeys from Melipona spp. with occurrence in Caatinga biome of Brazil. The honeys presented pH from 4.07 to 4.14, density of 1.41 g/cm3 and °Brix value of 79.90. The thermogravimetry (TG) analysis presented six-seven events and differential thermal analysis (DTA) presented three-four endothermic peaks. HPLC fingerprint revealed a predominant presence of gallic acid and vanillin. Antioxidant activity evaluated using in vitro 2,2-diphenyl-1-picrylhydrazyl radical (DPPH) radical scavenging with IC50 values in the range of 14.5404 to 15.2454 mg/mL. The honeys also showed antimicrobial activities against Staphylococcus aureus and Pseudomonas aeruginosa using a modified agar diffusion and microdilution method. The results of the present study demonstrate that the honey from stingless bees by Caatinga biome indicate polyphenol compounds, antioxidant activity and in vitro antimicrobial potential. The analytical methos permitted of fingerprint of samples.

Correlation between climatic environment and characteristic components of 14 kinds of huajiao by thermal analysis techniques, GC-MS and HS-IMS.

Huajiao (Zanthoxylum bungeanum Maxim.) is extensively cultivated in various countries, including China, Korea, and India, owing to its adaptability to diverse environments. This study comprehensively analyzed the volatile substance composition of 14 varieties of red huajiao with distinct geographical origins. Thermal analysis methods, gas chromatography-mass spectrometry (GC-MS), and headspace-ion mobility chromatography (HS-IMS) were employed to evaluate the total volatile substance composition and content. The study revealed minor variations in water content, volatile matter content, and fractions among the geographically sourced huajiao samples. Utilizing correlation analysis based on GC-MS and orthogonal partial least squares discriminant analysis (OPLS-DA) with HS-IMS, a robust classification method for the 14 types of huajiao was developed. Applying the variable importance in the projection (VIP) method, seven distinctive components were identified as potential markers for distinguishing the geographical origins of red huajiao. By integrating climatic and topographical factors of the 14 huajiao varieties, the correlation analysis of GC-MS, and OPLS-DA classification outcomes from HS-IMS elucidated the influence of geo-environmental factors on huajiao components and contents. This research provides insights into the impact of diverse geographic environments on the constituents and characteristics of huajiao. It offers valuable guidance for selecting optimal cultivation locations to enhance huajiao quality, aiding consumers in making informed choices.

Accessing the Low-Polar Molecular Composition of Boreal and Arctic Peat-Burning Organic Aerosol via Thermal Analysis and Ultrahigh-Resolution Mass Spectrometry: Structural Motifs and Their Formation.

Peatland fires emit organic carbon-rich particulate matter into the atmosphere. Boreal and Arctic peatlands are becoming more vulnerable to wildfires, resulting in a need for better understanding of the emissions of these special fires. Extractable, nonpolar, and low-polar organic aerosol species emitted from laboratory-based boreal and Arctic peat-burning experiments are analyzed by direct-infusion atmospheric pressure photoionization (APPI) ultrahigh-resolution mass spectrometry (UHRMS) and compared to time-resolved APPI UHRMS evolved gas analysis from the thermal analysis of peat under inert nitrogen (pyrolysis) and oxidative atmosphere. The chemical composition is characterized on a molecular level, revealing abundant aromatic compounds that partially contain oxygen, nitrogen, or sulfur and are formed at characteristic temperatures. Two main structural motifs are identified, single core and multicore, and their temperature-dependent formation is assigned to the thermal degradation of the lignocellulose building blocks and other parts of peat.

Preparation of Al@FTCS/P(VDF-HFP) Composite Energetic Materials and Their Reaction Properties.

Strengthening the interfacial contact between the reactive components effectively boosts the energy release of energetic materials. In this study, we aimed to create a close-knit interfacial contact condition between aluminum nanoparticles (Al NPs) and Polyvinylidene fluoride-hexafluoropropylene (P(VDF-HFP)) through hydrolytic adsorption and assembling 1H, 1H, 2H, 2H-Perfluorododecyltrichlorosilane (FTCS) on the surface of Al NPs. Leveraging hydrogen bonding between -CF and -CH and the interaction between C-F⋯F-C groups, the adsorbed FTCS directly leads to the growth of the P(VDF-HFP) coating layer around the treated Al NPs, yielding Al@FTCS/P(VDF-HFP) energetic composites. In comparison with the ultrasonically processed Al/P(VDF-HFP) mixture, thermal analysis reveals that Al@FTCS/P(VDF-HFP) exhibits a 57 °C lower reaction onset temperature and a 1646 J/g increase in heat release. Associated combustion tests demonstrate a 52% shorter ignition delay, 62% shorter combustion time, and a 288% faster pressurization rate. These improvements in energetic characteristics stem from the reactivity activation of FTCS towards Al NPs by the etching effect to the surface Al2O3. Moreover, enhanced interfacial contact facilitated by the FTCS-directed growth of P(VDF-HFP) around Al NPs further accelerates the whole reaction process.

Thermal image dataset for okra maturity analysis.

Okra, renowned for its abundance of essential nutrients, emerges as a promising solution in addressing malnutrition, advocating for sustainable agriculture, and showcasing versatile untapped potentials. Our objective is to enhance the quality, market attractiveness, and culinary adaptability of okra harvests by classifying them into over-matured and adequately matured groups through a non-invasive approach. This dataset is centered on thermal images capturing different maturity levels of okra, categorized into two distinct groups. The thermal imaging device is employed for image capture, and the okra samples are sourced from diverse vegetable vendors and farms. This dataset proves to be a valuable asset for the non-invasive examination and categorization of okras based on their maturity levels.

Comparative analysis of non-invasive and invasive alternating electric fields therapy for malignant gliomas: a simulation study.

Alternating electric fields (AEFs) at intermediate frequencies (100-300 kHz) and low intensities (1-3 V/cm) have shown promise as an effective approach for inhibiting cancer cell proliferation. However, a noticeable research gap exists in comparing the biophysical properties of invasive and non-invasive AEFs methods, and AEFs delivery strategies require further improvement. In this study, we constructed a realistic head model to simulate the effects of non-invasive and invasive AEFs on malignant gliomas. Additionally, a novel method was proposed involving the placement of a return electrode under the scalp. We simulated the electric field and temperature distributions in the brain tissue for each method. Our results underscore the advantages of invasive AEFs, showcasing their superior tumor-targeting abilities and reduced energy requirements. The analysis of brain tissue temperature changes reveals that non-invasive AEFs primarily generate heat at the scalp level, whereas invasive methods localize heat production within the tumor itself, thereby preserving surrounding healthy brain tissue. Our proposed invasive AEFs method also shows potential for selective electric field intervention. In conclusion, invasive AEFs demonstrate potential for precise and effective tumor treatment. Its enhanced targeting capabilities and limited impact on healthy tissue make it a promising avenue for further research in the realm of cancer treatment.

Influence of the Manufacturing Method (3D Printing and Injection Molding) on Water Absorption and Mechanical and Thermal Properties of Polymer Composites Based on Poly(lactic acid).

The manufacturing method influences the properties of the produced components. This work investigates the influence of manufacturing methods, such as fused deposition modeling (3D printing) and injection molding, on the water absorption and mechanical and thermal properties of the specimens produced from neat bio-based poly(lactic acid) (PLA) polymer and poly(lactic acid)/wood composites. Acrylonitrile butadiene styrene (ABS) acts as the reference material due to its low water absorption and good functional properties. The printing layer thickness is one of the factors that affects the properties of a 3D-printed specimen. The investigation includes two different layer thicknesses (0.2 mm and 0.3 mm) while maintaining uniform overall thickness of the specimens across two manufacturing methods. 3D-printed specimens absorb significantly higher amounts of water than the injection-molded specimens, and the increase in the layer thickness of the 3D-printed specimens contributes to further increased water absorption. However, the swelling due to water absorption in 3D-printed specimens decreases upon increased layer thickness. The tensile, flexural, and impact properties of all of the specimens decrease after water absorption, while the properties improve upon decreasing the layer thickness. Higher porosity upon increasing the layer thickness is the predominant factor. The results from dynamic mechanical analysis and microscopy validate the outcomes. The results from this experimental study highlight the limitations of additive manufacturing.

Dual function surfactants for pharmaceutical formulations: The case of surface active and antibacterial 1-tolyl alkyl biguanide derivatives.

One interesting field of research in the view of developing novel surfactants for pharmaceutical and cosmetic applications is the design of amphiphiles showing further bioactive properties in addition to those commonly displayed by surface-active compounds. We propose here the chemical synthesis, and characterization of 1-o-tolyl alkyl biguanide derivatives, having different lengths of the hydrocarbon chain (C3, C6, and C10), and showing surface active and antibacterial/disinfectant activities toward both Gram-positive and Gram-negative bacteria. Both surface active properties in terms of critical micelle concentration (CMC) and surface tension at CMC (γCMC), as well as the antimicrobial activity in terms of minimum inhibitory concentrations (MICs), were strongly dependent on the length of the hydrocarbon chain. Particularly, the C6 and C10 derivatives have a good ability to decrease surface tension (γCMC <40 mN/m) at low concentrations (CMC < 12 mM) and a satisfactory antibacterial effect (MIC values between 0.230 and 0.012 mM against S. aureus strains and between 0.910 and 0.190 against P.aeruginosa strains). Interestingly, these compounds showed a disinfectant activity at the tested concentrations that was comparable to that of the reference compound chlorhexidine digluconate. All these results support the possible use of these amphiphilic compounds as antibacterial agents and disinfectants in pharmaceutical or cosmetic formulations.

Microstructural Assessment of Pozzolanic Activity of Ilmenite Mud Waste Compared to Fly Ash in Cement Composites.

This paper presents the influence of adding rinsed ilmenite mud waste (R-MUD) on the microstructure of Portland cement composites, compared to similar composites containing fly ash (FA). The aim of the study is the assessment of the pozzolanic activity of ilmenite mud waste by its impact on the microstructure of the cement matrix in comparison to the undoubted pozzolanic activity of fly ash. The presented test results include pore size distribution, phase composition, pozzolanic activity using thermal analysis, R3 bound water test, and microstructural analysis using scanning electron microscopy (SEM). Tests were performed on mortars cured for up to 360 days. The results presented in this paper have shown that R-MUD has a pozzolanic activity level similar to FA or better, which influences pore size distribution in the composite and its microstructure. During the curing process, the microstructure of composites containing R-MUD became more compact and sealed than those with FA, which might also increase their durability. The results of the R3 tests have proven the pozzolanic activity of R-MUD but its level was lower than FA. R-MUD might be a useful substitute for fly ash, especially given the lack of good-quality fly ash on the market.

Properties of Biocomposites Made of Extruded Apple Pomace and Potato Starch: Mechanical and Physicochemical Properties.

This paper presents research results on biocomposites made from a combination of extruded apple pomace (EAP) and potato starch (SP). The aim of this work was to investigate the basic properties of biocomposites obtained from extruded apple pomace reinforced with potato starch. The products were manufactured by hot pressing using a hydraulic press with a mould for producing samples. The prepared biocomposites were subjected to strength tests, surface wettability was determined, and a colour analysis was carried out. A thermogravimetric analysis (TGA), Fourier transform infrared spectroscopy (FTIR), and cross-sectioning observed in a scanning electron microscope (SEM) were also performed. The obtained test results showed that the combination of apple pomace (EAP) and starch (SP) enabled the production of compact biocomposite materials. At the same time, it was found that each increase in the share of starch in the mixture for producing biocomposites increased the strength parameters of the obtained materials. With the highest share of starch in the mixture, 40%, and a raw material moisture content of 14%, the material had the best strength parameters and was even characterised by hydrophobic properties. It was also found that materials with a high content of starch are characterised by increased temperature resistance. The analysis of SEM microscopic photos showed well-glued particles of apple pomace, pectin, and gelatinised starch and a smooth external structure of the samples. Research and analyses have shown that apple pomace reinforced only with the addition of starch can be a promising raw material for the production of simple, biodegradable biocomposite materials.

In situ fabrication of porous polymer films embedded with perovskite nanocrystals for flexible superhydrophobic piezoresistive sensors.

The application of pressure sensors based on perovskite in high-humidity environments is limited by the effect of water on their stability. Endowing sensors with superhydrophobicity is an effective strategy to overcome the issue. In this work, MAPbBr3/Polyvinylidene Fluoride-TFSI composite was prepared by a one-step in-situ strategy to form a flexible superhydrophobic pressure sensor, which exhibited a contact angle of 150.25°. The obtained sensor exhibited a sensitivity of 0.916 in 1 kPa, a detection limit of 0.2 Pa, a precision of 0.1 Pa, and a response/recovery of ∼100 ms, along with good thermal stability. Through density functional theory calculations, it is revealed that the formation of the porosity is attributed to the interaction between the polymer and EMIM TFSI, which further leads to superhydrophobicity. And, the perovskite structure is easy to change under pressure, affecting the carrier transport and electrical signals output, which explains the sensing mechanism. In addition, the sensor performed well in monitoring facial expression, pulse, respiration, finger bending, and wind speed ranging from 1 m/s to 6 m/s. With both the Linear Regression and the Random Forest algorithm, the sensor can monitor the wind speed with an R2 greater than 0.977 in 60 tests.

Convenient Preparation, Thermal Properties and X-ray Structure Determination of 2,3-Dihydro-5,6,7,8-tetranitro-1,4-benzodioxine (TNBD): A Promising High-Energy-Density Material.

2,3-dihydro-5,6,7,8-tetranitro-1,4-benzodioxine (TNBD), molecular formula = C8H4N4O10, is a completely nitrated aromatic ring 1,4-benzodioxane derivative. The convenient method of TNBD synthesis was developed (yield = 81%). The detailed structure of this compound was investigated by X-ray crystallography. The results of the thermal analysis (TG) obtained with twice re-crystallized material revealed the onset at 240 °C (partial sublimation started) and melting at 286 °C. The investigated material degraded completely at 290-329 °C. The experimental density of 1.85 g/cm3 of TNBD was determined by X-ray crystallography. The spectral properties of TNBD (NMR, FT-IR and Raman) were explored. The detonation properties of TNBD calculated by the EXPLO 5 code were slightly superior in comparison to standard high-energy material-tetryl (detonation velocity of TNBD-7727 m/s; detonation pressure-278 kbar; and tetryl-7570 m/s and 226.4 kbar at 1.614 g/cm3, or 260 kbar at higher density at 1.71 g/cm3. The obtained preliminary results might suggest TNBD can be a potential thermostable high-energy and -density material (HEDM).

Sequence of monomers and position of stereocenters matter for thermal properties of stereocontrolled oligourethanes.

Polyurethanes are commodity materials used for multiple applications. In recent years, a new category of polyurethane material has emerged, characterized by the lack of polymer molar mass distribution, control of the monomer arrangement in the chain, and even full stereocontrol. Various multistep synthesis strategies have been developed to fabricate sequence-defined polyurethanes. However, synthesizing stereocontrolled polyurethanes with a controlled sequence is still a challenge. Polyurethanes with structural precision, as represented by biopolymers, i.e. proteins or nucleic acids, have opened new application directions for these groups of materials. It has been shown that polyurethanes can be used as biomimetics, information carriers, molecular tags, and materials with strictly controlled properties. Precise synthesis of macromolecules allows us to fine-tune the properties of polymers to specific needs. Therefore, it is essential to collect information on the sequence-structure relationship of polymers. In our work, we present synthetic pathways to make sequence and stereo-defined oligourethanes. We demonstrate that structural details, i.e., the monomer sequences and position of the stereocenter, have a tremendous effect on the thermal properties of model oligourethanes. We show that the introduction of chirality by constitutional isomerization can be used to program the thermal characteristics of polymers, which are key features for material applications.

Effect of Poly(propylene carbonate) on Properties of Polylactic Acid-Based Composite Films.

To enrich the properties of polylactic acid (PLA)-based composite films and improve the base degradability, in this study, a certain amount of poly(propylene carbonate) (PPC) was added to PLA-based composite films, and PLA/PPC-based composite films were prepared by melt blending and hot-press molding. The effects of the introduction of PPC on the composite films were analyzed through in-depth studies on mechanical properties, water vapor and oxygen transmission rates, thermal analysis, compost degradability, and bacterial inhibition properties of the composite films. When the introduction ratio coefficient of PPC was 30%, the tensile strength of the composite film increased by 19.68%, the water vapor transmission coefficient decreased by 14.43%, and the oxygen transmission coefficient decreased by 18.31% compared to that of the composite film without PPC, the cold crystallization temperature of the composite film increased gradually from 96.9 °C to 104.8 °C, and PPC improved the crystallization ability of composite film. The degradation rate of the composite film with PPC increased significantly compared to the previous one, and the degradation rate increased with the increase in the PPC content. The degradation rate was 49.85% and 46.22% faster on average than that of the composite film without PPC when the degradation was carried out over 40 and 80 days; the composite film had certain inhibition, and the maximum diameter of the inhibition circle was 2.42 cm. This study provides a strategy for the development of PLA-based biodegradable laminates, which can promote the application of PLA-based laminates in food packaging.

3D printing for energy optimization of building envelope - Experimental results.

The building sector is a major contributor to the world's energy consumption, exhibiting an ever-increasing trend. Heat losses through the building envelope constitute the most significant factor. Furthermore, the construction process has seen limited technological advancements in recent years, remaining heavily reliant on manual labor. Additive manufacturing emerges as a promising approach, with applications in the building sector on the rise. However, research on the thermal performance of 3D-printed components remains limited. Despite its recent introduction in the construction industry, 3D printing has yet to attain a level of maturity commensurate with other established methods. This paper aims to reduce this gap by analyzing 3D-printed blocks from a heat transfer perspective. The article introduces two key innovations. Firstly, it explores the design of various internal geometries and air gaps aimed at minimizing heat flux exchange between block surfaces. Secondly, it presents an experimental study conducted with a custom-designed setup tailored for testing 3D printed blocks. The blocks are constructed using recyclable plastic material and feature different internal geometries based on hexagonal cells. While the plan size of the cells remains consistent, their vertical structures vary as follows: 1) Block 1: Hexagonal air cavities without horizontal partitions. 2) Block 2: Hexagonal air cavities with three horizontal partitions, dividing the cells vertically into four parts. 3) Block 3: Honeycomb structure characterized by three horizontal partitions and staggering along the vertical axis. Their performance was experimentally evaluated using the Hot Box method, heat flow meter sensors, and infrared thermography. The results demonstrated reductions of up to 11.5 % in terms of thermal transmittance (U-value) with the inclusion of horizontal partitions. Starting from a U-value of 1.22 ± 0.04 W/m2K (Block 1), a transmittance of 1.08 ± 0.04 W/m2K was achieved for the honeycomb structure with horizontal partitions (Block 3).

Thermal - chemical - mechanical characterization of Anacardium occidentale tree gum.

Anacardium occidentale (cashew) tree gum is being used in several sectors, including the pharmaceutical sector. This gum has been explored more in the medical field by many previous researchers, but there is a big research gap regarding its thermal and mechanical properties. Therefore, this research is intended to reveal the thermal, chemical, and mechanical characteristics of Anacardium occidentale tree gum. The results obtained in this regard are then compared with certain properties of artificial resins. Thermal analysis is carried out using a thermogravimetric analyzer, and differential scanning calorimeter, elemental analysis is carried out using a scanning electron microscope and a micro-X-ray fluorescence analyzer; and mechanical tests are carried out using a nano-indentation tester and a universal testing machine. The pH of 4.76 shows that the gum is acidic in nature, and the peaks obtained from thermal analysis demonstrate that it doesn't have a melting point. The microhardness value, tensile strength, flexural strength, and compressive strength of cashew gum are 218.39 MPa, 1.667 MPa, 3.64 MPa, and 2.667 MPa, respectively. The obtained results show that, Anacardium occidentale tree gum has comparable thermal properties to those of artificial resins and other natural gums.

Crystal growth, Hirshfeld analysis, optical, thermal, mechanical, and third-order non-linear optical properties of Cyclohexylammonium picrate (CHAP) single crystal.

The organic single crystals of Cyclohexylammonium picrate (CHAP) had been grown using the method of slow evaporation solution growth. A determination was made regarding the solubility of the substance. The crystal's lattice cell parameters and morphology were characterized using single-crystal X-ray diffraction and powder X-ray diffraction techniques. The HRXRD techniques were utilized to assess the crystal quality. The functional groups of CHAP material were identified through the use of FT-IR and FT-Raman analysis. A Hirshfeld surface analysis was performed to investigate the formation of hydrogen bonds between N-H⋯O and C-H⋯O molecules. The grown crystals were examined in optical and thermal investigations utilizing UV-visible and TGA, DSC techniques. Mechanical analysis is used to quantify surface properties, such as work hardening coefficient and void volume. Z-scan analysis was utilized to calculate the non-linear refractive index (n2), nonlinear absorption (ß), and third-order non-linear susceptibility (χ3).