Application Of Electric Field Research Articles

New Opportunities for Electric Fields in Promoting Wound Healing: Collective Electrotaxis.

Significance: It has long been hypothesized that naturally occurring electric fields (EFs) aid wound healing by guiding cell migration. Consequently, the application of EFs has significant potential for promoting wound healing. However, the mechanisms underlying the cellular response to EFs remain unclear. Recent Advances: Although the directed migration of isolated single cells under EFs has been studied for decades, only recently has experimental evidence demonstrated the distinct collective migration of large sheets of keratinocytes and corneal epithelial cells in response to applied EFs. Accumulating evidence suggests that the emergent properties of cell groups in response to EF guidance offer new opportunities for EF-assisted directional migration. Critical Issues: In this review, we provide an overview of the field of collective electrotaxis, highlighting key advances made in recent years. We also discuss advanced engineering strategies utilized to manipulate collective electrotaxis. Future Directions: We outline a series of unanswered questions in this field and propose potential applications of collective electrotaxis in developing electrical stimulation technologies for wound healing.

Electricity-driven dealkalization of bauxite residue based on thermodynamics, kinetics, and mineral transformation.

High alkalinity content of bauxite residue is a major factor that hinders resource reutilization and pollutes the environment. Although acid neutralization is a direct and effective method, the amount of acid and secondary waste of sodium salt are still difficult problems to solve. Herein, we innovatively integrated an electric field into the acid neutralization dealkalization of bauxite residue and analyzed the dealkalization behavior by thermodynamics, kinetics, and mineral transformation. The results show that the pH of the anode chamber was maintained at the acidic levels of 3-6 after 30min of galvanostatic electrolysis, and bauxite residue can realize dealkalization by acid neutralization. In the anode chamber, Na+ was released into the leachate via the reactions of Na3Al3Si3O12 and the removal of encapsulated soluble alkali. The stainless steel wire mesh anode exhibited its superiority and decreased the Na2O content in bauxite residue from 9.48 to 3.13% through convective mass transfer driven by the electric field and steady-state diffusion under stirring. This research provides a promising method for the electricity-driven dealkalization of bauxite residue, thus facilitating the development of multifield coupling theory and the application of electric fields in the alumina industry.

The coalescence and oscillation of eutectic gallium indium alloy droplets

Gallium-based liquid metal droplets have excellent deformation performance, and their oscillation has huge potential in oscillator and organ-on-chip research. At present, the oscillation of gallium-based liquid metal droplets controlled by external energy (such as the application of electric fields and chemical reactions) has been thoroughly studied, while there are vacancies in the study of the oscillation due to coalescence of droplets without external energy input. A numerical simulation study on the oscillation process after the coalescence of two and three eutectic gallium indium alloy droplets is conducted. The degree of deformation of the droplet is described by the dimensionless length change in the symmetry axis direction of the line connecting the centers of the initial droplets in the top view, that is, in the y direction. The oscillation curve of the droplet is obtained by the fitting method. The results show that the oscillation of coalesced droplets has obvious periodicity and damping attenuation characteristics, and increasing the number of droplets or reducing the droplet radius will increase the damping coefficient. Furthermore, the ratio of droplet sizes and their initial distribution have an impact on the variations in kinetic energy of the three droplets in the y direction, thereby influencing the deformation of the droplets. This research enriches the theory of gallium-based liquid metal droplet deformation and plays a significant role in guiding the application of droplet oscillation in the fields of micromixers and measuring the physical parameters of solutions.

Electrical field enhanced CO2 permeation through a carbon molecular sieve membrane: A combined density functional based tight binding and computational fluid dynamics study

An important challenge in membrane technology for gas separation is to simultaneously improve their permeability and selectivity. Often, the increase in one performance leads to the decline of the other. This study presents a solution to that problem by utilizing electrical field coupling to improve CO2 permeation through a nitrile-containing poly (arylene-ether-ketone) (PEK-C(CN)) carbon molecular sieve membrane. Density functional based tight binding simulations of CO2, CH4, and N2 adsorption on PEK-C(CN) monolayer were conducted without and with electric field. The findings revealed that the electric field strength and orientation affected the molecules bond lengths, atomic charges, and bond angles. Investigation of their adsorption energy dominantly favored CO2 adsorption. Analysis of the partial density of states confirmed that adsorption interactions with the membrane were due to CO2 responses to the applied electric field. It additionally proved the electrical stability of PEK-C(CN) membrane. Computational fluid dynamics simulations of gas permeation through PEK-C(CN) membrane were performed without and with electric field. Results indicated an average pore distribution around 0.5 nm. The velocity flow distribution aided locate the interconnected pores, bringing to the fore the dominant transportation paths of gas molecules. It was uncovered that although the application of an electric field significantly improved the membrane gas permeability, it was not necessarily beneficial to its selectivity. −5 V was determined to be the optimum potential for an improvement of CO2 permeability from 57.32 Barrer (no field) to 15924.91 Barrer, while also enhancing the selectivity. This work demonstrates the benefits of the electric field and its promising application in gas separation processes.

Optimization of energy-storage properties with low electric field applications in Ca0.5Sr0.5TiO3-based linear ceramics by establishing relaxor ferroelectrics

Given superior breakdown strength than ferroelectrics, linear dielectrics have garnered plenty of attention, yet their low polarization restricts practicability at low electric fields. Hence, a strategic approach for optimizing the energy storage performance of Ca0.5Sr0.5TiO3 ceramics by selecting 0.75 K0.5Bi0.5TiO3-0.25BiFeO3 as a modulating element to establish relaxor ferroelectrics is put forward in this study. Owing to the incorporation of 0.75 K0.5Bi0.5TiO3-0.25BiFeO3 with high polarization, the issue of low polarization in Ca0.5Sr0.5TiO3 linear ceramics is overcame. (1-x)Ca0.5Sr0.5TiO3-x(0.75 K0.5Bi0.5TiO3-0.25BiFeO3) (CST-x(KBT-BF)) ceramics reveal a conversion from linear dielectrics to relaxor ferroelectrics, accompanied by a high polarization (＞45 μC/cm2) and recoverable energy density of 3.11 J/cm3 under 180 kV/cm, along with remarkable frequency and temperature stability. Simultaneously, the stepped-up relaxor behavior and refined grain size conduce to improve the energy storage performance. CST-0.5(KBT-BF) ceramics exhibit likewise a commendable discharge power density of 18.7 MW/cm3 and an ultra-short discharge time of 46.7 ns at 80 kV/cm. This work set up a conspicuous paradigm to promote the innovation-driven development of advanced energy storage capacitors at low electric fields.

Computational analysis of the simultaneous application of ultrasound and electric fields in a lipid bilayer

The combined application of electric fields and ultrasonic waves has shown promise in controlling cell membrane permeability, potentially resulting in synergistic effects that can be explored in the biotechnology industry. However, further clarification on how these processes interact is still needed. The objective of the present study was to investigate the atomic-scale effects of these processes on a DPPC lipid bilayer using molecular dynamics simulations. For higher electric fields, capable of independently forming pores, the application of an ultrasonic wave in the absence of cavitation yielded no additional effects on pore formation. However, for lower electric fields, the reduction in bilayer thickness induced by the shock wave catalyzed the electroporation process, effectively shortening the mean path that water molecules must traverse to form pores. When cavitation was considered, synergistic effects were evident only if the wave alone was able to generate pores through the formation of a water nanojet. In these cases, sonoporation acted as a mean to focus the electroporation effects on the initial pore formed by the nanojet. This study contributes to a better understanding of the synergy between electric fields and ultrasonic waves and to an optimal selection of processing parameters in practical applications of these processes.

Promoting Periodical Poling in Lithium Niobate Crystal Through Surface Acoustic Wave‐Induced Local Lattice Activation

AbstractAchieving precise construction of ferroelectric domain structure in lithium niobate (LN) crystals holds significance for expanding the applications of periodically poled lithium niobate (PPLN), especially in nonlinear frequency conversion. However, challenges exist during the application of electric field for poling, especially for small‐period PPLN crystals, where ferroelectric domains in LN crystals tend to unevenly expand laterally, making it hard to precisely control the domain structures. LN, as a piezoelectric crystal, has the capability to generate energy‐carrying surface acoustic waves (SAW). Herein, an method is presented to optimize the periodic poling process by integrating SAW and poling on a LN chip, which remarkably reduces the poling electric field by 10%, attributed to the enhanced local lattice vibrations during SAW propagation. The integrated SAW and poling chip achieves a 9 µm‐period PPLN crystal. Through second harmonic generation, a nonlinear light conversion from 1158 to 579 nm is realized, exhibiting a nonlinear optical efficiency up to 17.4%. This efficiency aligns with the theoretical prediction, validating the high‐quality domain structure. This integrated chip provides a unique opportunity for manipulating ferroelectric domain with high‐precision, benefiting a wide range of applications in nonlinear‐optics, ferroelectrics, and integrated optics.

Probability and kinetics of rupture and electrofusion in giant unilamellar vesicles under various frequencies of direct current pulses.

Irreversible electroporation induces permanent permeabilization of lipid membranes of vesicles, resulting in vesicle rupture upon the application of a pulsed electric field. Electrofusion is a phenomenon wherein neighboring vesicles can be induced to fuse by exposing them to a pulsed electric field. We focus how the frequency of direct current (DC) pulses of electric field impacts rupture and electrofusion in cell-sized giant unilamellar vesicles (GUVs) prepared in a physiological buffer. The average time, probability, and kinetics of rupture and electrofusion in GUVs have been explored at frequency 500, 800, 1050, and 1250 Hz. The average time of rupture of many 'single GUVs' decreases with the increase in frequency, whereas electrofusion shows the opposite trend. At 500 Hz, the rupture probability stands at 0.45 ± 0.02, while the electrofusion probability is 0.71 ± 0.01. However, at 1250 Hz, the rupture probability increases to 0.69 ± 0.03, whereas the electrofusion probability decreases to 0.46 ± 0.03. Furthermore, when considering kinetics, at 500 Hz, the rate constant of rupture is (0.8 ± 0.1)×10-2 s-1, and the rate constant of fusion is (2.4 ± 0.1)×10-2 s-1. In contrast, at 1250 Hz, the rate constant of rupture is (2.3 ± 0.8)×10-2 s-1, and the rate constant of electrofusion is (1.0 ± 0.1)×10-2 s-1. These results are discussed by considering the electrical model of the lipid bilayer and the energy barrier of a prepore.

Spontaneous chiral symmetry breaking in polar fluid–heliconical ferroelectric nematic phase

Spontaneous mirror symmetry breaking by formation of chiral structures from achiral building blocks and emergent polar order are phenomena rarely observed in fluids. Separately, they have both been found in certain nematic liquid crystalline phases; however, they have never been observed simultaneously. Here, we report a heliconical arrangement of achiral molecules in the ferroelectric nematic phase. The phase is thus spontaneously both polar and chiral. Notably, the pitch of the heliconical structure is comparable to the wavelength of visible light, giving selective reflection controllable by temperature or application of a weak electric field. Despite bearing resemblance to the heliconical twist-bend nematic phase, this chiral ferroelectric nematic phase arises from electrical interactions that induce a noncollinear orientation of electric dipoles.

Fabrication of a sharp Si protrusion with a faceted apex grown from a surface-melted silicon wafer under high electric and magnetic fields: application to field emission electron sources

A silicon (Si) protrusion, grown on a narrow path of a Si(001) wafer by surface melting via resistive heating, was sharpened by applying a local high electric field under a magnetic field during the growth. The electric field caused local stress to the surface-melted Si, which was pulled upward along the field. Consequently, the melted Si formed a sharper protrusion on solidification, with an apex surrounded by {001}, {113}, and {111} facets. The field emission from the protrusions was measured. The onset voltage of the emission from protrusions was lower when they were grown under the electric field. We used Fowler–Nordheim plots to characterize the emission current and voltage conversion factor, β. The results indicated that the application of electric field is beneficial to sharpening Si protrusions grown from Si melt. Such protrusions surrounded by facets are suitable for field emission electron sources with a high local electric field.

Electrical manipulation of telecom color centers in silicon

Silicon color centers have recently emerged as promising candidates for commercial quantum technology, yet their interaction with electric fields has yet to be investigated. In this paper, we demonstrate electrical manipulation of telecom silicon color centers by implementing novel lateral electrical diodes with an integrated G center ensemble in a commercial silicon on insulator wafer. The ensemble optical response is characterized under application of a reverse-biased DC electric field, observing both 100% modulation of fluorescence signal, and wavelength redshift of approximately 1.24 ± 0.08 GHz/V above a threshold voltage. Finally, we use G center fluorescence to directly image the electric field distribution within the devices, obtaining insight into the spatial and voltage-dependent variation of the junction depletion region and the associated mediating effects on the ensemble. Strong correlation between emitter-field coupling and generated photocurrent is observed. Our demonstration enables electrical control and stabilization of semiconductor quantum emitters.

Metal–semiconductor transition in bilayer graphene by bowl inversion of monofluorosumanene

The bowl-shaped hydrocarbon molecule, monofluorosumanene (C21H11F), can act as a molecular switch to control the carrier density of bilayer graphene by flipping its conformation. Our calculations indicate that monofluorosumanene, in which F atom is located outside the curved C–C network (exo-F molecular conformation), induces electron and hole co-doping of 1.5 × 1013 cm−2 in monofluorosumanene-intercalated bilayer graphene because of a large dipole moment normal to the molecular plane of the monofluorosumanene. The intercalated monofluorosumanene does not affect the electronic structure of bilayer graphene when the F atom is located inside the curved C–C network (endo-F conformation) owing to a small out-of-plane dipole moment. The application of an external electric field across the graphene layers promotes bowl inversion between endo-F and exo-F molecular conformations because of the low activation barrier (approximately 800 meV) between these two conformations and the dipole moment normal to the molecular plane of the exo-F conformation.

Pulsed electric field effect on acrylamide reduction and quality attributes of continuous-style Lamoka potato chips

Potato chips are a popular snack, well-liked because of their texture-flavor combination. Potato chips are made by frying slices of potato in vegetable oil to achieve a crispy texture. Frying potato slices initiates the Maillard reaction, resulting in chemical changes that enhance taste, color, and texture, but also undesired acrylamides, which are suspected carcinogens. The application of pulsed electric field (PEF) technology is commonly used in French fry processing operations to prolong cutting blade sharpness and reduce waste, energy consumption, and water usage. Despite these attributes, PEF systems have not yet gained widespread adoption by potato chip producers. In the current study, Lamoka potatoes were PEF-treated prior to continuous frying into potato chips. The effect of specific energy at 0.75 kJ/kg (Low-PEF) and 1.5 kJ/kg (High-PEF) and electric field strength of 1 kV/cm, frequency of 24 kV, and pulse width of 6 μs versus untreated (control) samples was studied, then batches of 250 g of slices were fried at 170 °C or 185 °C for two frying times to obtain potato chips with acrylamide levels below the California Proposition 65 limit (275 ng/g). The Lamoka potato chip product quality metrics that were assessed include moisture, fat, reducing sugars, asparagine, acrylamide, chip color, and texture. PEF treatment of Lamoka potatoes resulted in chips fried in 10 % less time, lower oil content by 8 %, and a decrease of reducing sugars by 19.2 %, asparagine by 42.0 %, and acrylamide by 28.9 %. The PEF fried chips were lighter in color but maintained textural attributes compared to continuous frying cooking. The process of frying potato slices at 170 °C for 150 s with High-PEF yielded potato chips with acrylamide content below the California Proposition 65 limit; which speaks to the health implications for consumers and the quality and safety of these chips.

Atomic-Scale Tracking Topological Phase Transition Dynamics of Polar Vortex-Antivortex Pairs.

Non-trivial topological structures, such as vortex-antivortex (V-AV) pairs, have garnered significant attention in the field of condensed matter physics. However, the detailed topological phase transition dynamics of V-AV pairs, encompassing behaviors like self-annihilation, motion, and dissociation, have remained elusive in real space. Here, polar V-AV pairs are employed as a model system, and their transition pathways are tracked with atomic-scale resolution, facilitated by in situ (scanning) transmission electron microscopy and phase field simulations. This investigation reveals that polar vortices and antivortices can stably coexist as bound pairs at room temperature, and their polarization decreases with heating. No dissociation behavior is observed between the V-AV phase at room temperature and the paraelectric phase at high temperature. However, the application of electric fields can promote the approach of vortex and antivortex cores, ultimately leading to their annihilation near the interface. Revealing the transition process mediated by polar V-AV pairs at the atomic scale, particularly the role of polar antivortex, provides new insights into understanding the topological phases of matter and their topological phase transitions. Moreover, the detailed exploration of the dynamics of polar V-AV pairs under thermal and electrical fields lays a solid foundation for their potential applications in electronic devices.

Prophylactic administration of glycopyrrolate prevents vasovagal responses induced by pulsed field ablation in patients with atrial fibrillation

Abstract Background The FarapulseTM system was the first pulsed field ablation device to receive regulatory approval. Vagal Responses (VR) during pulmonary vein isolation (PVI) with this pentaspline device are frequent and often require back-up pacing or the administration of parasympathetic drugs. Glycopirrolate (GLY) is a medication of the muscarinic anticholinergic group; its efficacy for VR prevention when administered prophylactically before PVI has never been reported. Objective To evaluate the effectiveness of prophylactic intravenous administration of GLY on VRs induced by PFA. Methods Consecutive AF patients undergoing first-time PVI with PFA via the FarapulseTM system between April and October 2023 were prospectively enrolled in 3 European centers. Prophylactic administration of GLY (0.2 mg intravenous administration before femoral vein puncture) [Group GLY(+)] was adopted based on operator’s preference. VR was defined as at least one of the following: sinus bradycardia (<40 beats/min), asystole (>6 sec), or atrioventricular block (AVB) occurring immediately after a pulsed electric field application. VRs and maximum pause duration (maximum RR interval) were determined for each PV. Temporary backup pacing was performed as per the operator's preference. Results We enrolled 141 patients [GLY(+): 64 patients; GLY(-): 77 patients] undergoing PVI with the pentaspline FarapulseTM system. Median age was 54.1 years (54.1- 70), and 76 (54%) patients were males with an average CHA2DS2-VASc Score of 1.0 (0 – 2). A total of 563 PVs, including 3 left common PVs and 2 accessory middle PVs, were successfully isolated with the FarapulseTM PFA system. There were no statistically significant differences in baseline and procedural characteristics between two groups. VRs during PVI occurred in a total of 53 (37.6%) patients. GLY administration reduced significantly the incidence of any VRs (4.7% vs 64.9%; p<0.001) (Figure 1A). Additionally, GLY resulted in a lower incidence of VRs during LSPV (4.7% vs 62.3%; p<0.001) and LIPV (1.6% vs 9.1%; p<0.001) (Figure 1B) isolation and the need for temporary backup pacing during LSPV (24.7% vs 1.6%; p<0.001) isolation. Maximum pause duration was significantly shorter in the GLY(+) group after PFA of LSPV (1195 vs 3459 sec; p<0.001), LIPV (1128 vs 1556 sec; p<0.001), RSPV (1138 vs 1607 sec; p<0.001) and RIPV (1103 vs 1343 sec; p<0.001) compared to GLY(-) group (Figure 1C). Conclusions Glycopyrrolate is highly effective in the prevention of VRs induced by PFA ablation in AF patients undergoing first-time PVI.Figure 1

Procedural characteristics, details on epicardial mapping-based lesion transmurality, and long-term success of posterior wall isolation with a pentaspline pulsed field ablation device

Abstract Background Achieving durable posterior wall isolation (PWI) with thermal-based energies is challenging, as reconnection rates have been reported to be up to 60%. Additionally, PWI can significantly increase the risk of collateral thermal damage to the esophagus. Pulsed field ablation (PFA) is a non-thermal energy source with a remarkable safety profile due to its selectivity to cardiac tissue. Additionally, PWI durability was reported to be 100% in a recent phase-3 study enrolling persistent AF patients undergoing PFA via the FarapulseTM system. Purpose To report procedural details, acute lesion transmurality, and long-term success of PWI via the FarapulseTMsystem. Methods Consecutive persistent AF patients undergoing first-time ablation with the FarapulseTM system at four different centres were prospectively enrolled. All patients received first-time pulmonary vein isolation (PVI) and PWI. PFA was performed with either a 31mm or a 35mm device and an energy output of 2.0kV. At least 2 applications per position were delivered. Primary efficacy endpoint was freedom from any atrial tachyarrhythmia >30s after a 3month blanking period. PW lesion transmurality was assessed in a subpopulation of patients with an indication for hybrid AF ablation and left atrial appendage (LAA) clipping. The procedure was performed according to the following steps: 1) endocardial PVI plus PWI via the FarapulseTM system; 2) endocardial high-density mapping with RhythmiaTM plus Intellanav OrionTM; 3) thoracoscopy-assisted epicardial high-density mapping with Intellanav OrionTM 4) left atrial appendage clipping. Results 157 persistent AF patients (mean age: 62±11years; 75.5% males) were included. First-pass PVI was achieved in 100% of patients. On average, pulsed electric field applications for PWI were 16.3±2.4. Mean procedural time was 66±17min; left atrial dwelling and fluoroscopy times were 46±12min and 14±6min, respectively. SR restoration during PWI was observed in 8 (5.1%) cases. Minor and major periprocedural complications occurred in 2.5% (groin hematoma: 4pts) and 0.6% (diplopia with negative cerebral MRI) patients, respectively. During a mean follow-up of 353±58 days, arrhythmia-free survival was 78.3% (n=123). A redo ablation was performed in 23 patients, showing reconnection of 22.8% of PVs. Durable PWI was observed in 82.6% of patients. In the subpopulation of patients (n=3) undergoing hybrid ablation plus LAA clipping, thoracoscopy-guided epicardial mapping of the PW was performed between 57 and 72 minutes after the last endocardial PFA application. All patients showed transmural PWI (Figure1). Conclusions In a real-world multicenter registry, PWI by means of the FarapulseTM system was safe and feasible, contributing to approximately 80% success rate after 1 year. Endocardial PFA-based PWI led to 100% transmural lesions acutely, with a rate of reconnection <20% at redo procedures.

Low-intensity pulsed electric fields pre-treatment on yogurt starter culture: Effects on fermentation time and quality attributes

Low-intensity pulsed electric fields (PEF) were applied to a starter culture mix (Streptococcus thermophilus, Lactobacillus bulgaricus, and partially skimmed milk) before the fermentation stage of natural yogurt. The impact of PEF processing conditions on yogurt fermentation time and quality characteristics was evaluated. PEF parameters were set based on a factorial experimental design; independent variables: electric field strength, pulse-frequency, and pulse-width, were explored, having fermentation time as a response. Most PEF treatments reduced fermentation time by 0.31–0.52 h compared to conventional yogurt processing (CY) (4.70 ± 0.23 h). The shortest time (4.18 ± 0.04 h) resulted from PEF pre-treatment with 8-μs monopolar pulses at 1 kV/cm and 150 Hz during 400 μs. The physicochemical and sensory characteristics of PEF-treated yogurt were similar to those of the CY immediately after processing and during refrigeration storage. Low-intensity PEF could be a promising alternative pre-treatment of yogurt production, reducing fermentation time while maintaining quality attributes of natural yogurt. Industrial relevanceConventional yogurt processing lasts around 4.5–6 h, representing high energy consumption and production costs. The application of pulsed electric fields (PEF) processing to the starter culture before yogurt fermentation represents a potential alternative to diminish production time by stimulating lactic acid bacteria and accelerating fermentation stage. This study demonstrated that low-intensity PEF (1–3 kV/ cm) reduced fermentation time by 0.31–0.52 h without compromising yogurt's quality properties, including physicochemical characteristics and sensory attributes. Obtained results suggest that this technology allows more efficient and sustainable yogurt production methods, positively impacting industry and consumers.

Ultrasound and pulsed electric field treatment effect on the thermal properties, oxidative stability and fatty acid profile of oils extracted from berry seeds

AbstractThe seeds of berry fruits which are considered as a by-product may be valorized by recovering the oil they content. Nevertheless, the conventional extraction methods are time, energy and organic solvents consuming. In order to make extraction more environmental-friendly, alternative methods, like ultrasound-assisted and pulsed electric field-assisted processes, are being developed. The procedure of extraction may however influence the quality of obtained oil. The following study aims to define the effects of ultrasound and pulsed electric field application in the extraction process on the thermal properties, i.e., oxidative stability, melting and cyclic heating/cooling profiles, thermal decomposition characteristics. Additionally, fatty acid profile assessment was included in the study. Seeds of blackberries, blackcurrants, chokeberries, raspberries and redcurrants were used to extract oil. Based on the results, it can be summarized that extraction method influenced the resistance of oils to oxidation. Ultrasound-assisted process resulted in oils with the highest oxidation induction times. Melting profile was slightly influenced by extraction method, with peak temperatures indicating the presence of low-melting and middle-melting triacylglycerol fractions. Differential scanning calorimetry with heat/cool/heat procedure let determine crystallization peak temperatures around − 60 °C, which could be associated with the specific triacylglycerol profile of berry seed oils. The courses of thermogravimetric analysis curves were comparable for all the tested samples. The fatty acid profile study revealed that all the studied thermal properties were affected by the unique fatty acid percentage share, with a great predominance of polyunsaturated fatty acids. Obtained results allowed to conclude that extraction method influenced oxidative stability, thermal properties and fatty acid profile only to some extent. The most promising extraction method among analyzed seems to be ultrasound-assisted extraction as it provided oil with high oxidative stability, typical thermal properties and unchanged fatty acid profile, without being harmful to natural environment due to possible reduction in solvent and time consumption.

Theoretical design of alkaline earthides M+(36 adz) Be− (M+ = V, Cr, Mn, Fe, Co, Ni, Cu, and Zn) with excellent nonlinear optical response and ultraviolet transparency

A novel series of alkaline earthides containing eight complexes based upon 36adz complexant are designed by placing carefully transition metals (V–Zn) on inner side and alkaline earth metal outer side of the complexant i.e., M+(36adz) Be− (M+ = V, Cr, Mn, Fe, Co, Ni, Cu and Zn). All the designed compounds are electronically and thermodynamically stable as evaluated by their interaction energy and vertical ionization potential respectively. Moreover, the true nature of alkaline earthides is verified through NBOs and FMO study, showing negative charge and excess electrons on alkaline earth metal respectively. Furthermore, true alkaline earthides characteristics are evaluated graphically by spectra of partial density state (PDOS). The energy gap (HOMO -LUMO gap) is very small (ranging 2.95 eV–1.89 eV), when it is compared with pure cage 36adz HOMO-LUMO gap i.e., 8.50 eV. All the complexes show a very small value of transition energy ranging from 1.68eV to 0.89eV. Also, these possess higher hyper polarizability values up to 2.8 x 105au (for Co+(36adz) Be−). Furthermore, an increase in hyper polarizability was observed by applying external electric field on complexes. The remarkable increase of 100fold in hyper polarizability of Zn+(36adz) Be− complex is determined after application of external electric field i.e., from 1.7 x 104 au to 1.7 x 106 au when complex is subjected to external electric field of 0.001 au strength. So, when external electric field is applied on complexes it enhances the charge transfer, polarizability and hyper polarizability of complexes and proves to be effective for designing of true alkaline earthides with remarkable NLO response.

Molecular Structures, Dipole Moments, and Electronic Properties of β-HMX under External Electric Field from First-Principles Calculations.

In order to investigate the impact of an external electric field on the sensitivity of β-HMX explosives, we employ first-principles calculations to determine the molecular structure, dipole moment, and electronic properties of both β-HMX crystals and individual β-HMX molecules under varying electric fields. When the external electric field is increasing along the [100], [010], and [001] crystallographic directions of β-HMX, the calculation results indicate that an increase in the bond length (N1-N3/N1'-N3') of the triggering bond, an increase in the main Qnitro (N3, N3') value, an increase in the minimum surface electrostatic potential, and a decrease in band gap all contribute to a reduction in its stability. Among these directions, the [010] direction exhibits the highest sensitivity, which can be attributed to the significantly smaller effective mass along the [010] direction compared with the [001] and [100] directions. Moreover, the application of an external electric field along the Y direction of the coordinate system on individual β-HMX molecules reveals that the strong polarization effect induced by the electric field enhances the decomposition of the N1-N3 bonds. In addition, due to the periodic potential energy of β-HXM crystal, the polarization effect of β-HMX crystal caused by an external electric field is much smaller than that of a single β-HXM molecule.