Small Cavity Research Articles

Improving Fabrication and Performance of Additively Manufactured RF Cavities by Employing Co-Printed Support Structures and Their Subsequent Removal

The enormous potential of additive manufacturing (AM), particularly laser powder bed fusion (L-PBF), to produce radiofrequency cavities (cavities) has already been demonstrated. However, the required geometrical accuracy for GHz TM010 cavities is currently only achieved by (a) avoiding downskin angles <40∘, which in turn leads to a cavity geometry with reduced performance, or (b) co-printed support structures, which are difficult to remove for small GHz cavities. We have developed an L-PBF-based manufacturing routine to overcome this limitation. To enable arbitrary geometries, co-printed support structures are used that are designed in such a way that they can be removed after printing by electrochemical post-processing, which simultaneously reduces the surface roughness and thus maximizes the quality factor Q0. The manufacturing approach is evaluated on two TM010 single cavities printed entirely from high-purity copper. Both cavities achieve the desired resonance frequency and a Q0 of approximately 8300.

Modification of the van der Waals and Platteeuw model for gas hydrates considering multiple cage occupancy.

This study reviews available van der Waals- and Platteeuw-based hydrate models considering multiple occupancy of cavities. Small guest molecules, such as hydrogen and nitrogen, are known to occupy lattice cavities multiple times. This phenomenon has a significant impact on hydrate stability and thermodynamic properties of the hydrate phase. The objective of this work is to provide a comprehensive overview and required correlations for the implementation of a computationally sufficient cluster model that considers up to five guest molecules per cavity. Two methodologies for cluster size estimation are evaluated by existing nitrogen hydrate models showing accurate results for phase equilibria calculations. Furthermore, a preliminary hydrogen hydrate model is introduced and compared with the results of other theoretical studies, indicating that double occupancy of small sII cavities is improbable and four-molecule clusters are predominant in large sII cavities for pressures above 300 MPa. This work lays the foundation for further exploration and optimization of hydrate-based technologies for small guest molecules, e.g., storage and transportation, emphasizing their role in the future landscape of sustainable energy solutions.

Dual-stage polyporate framework with redox mediator for high loading lithium sulfur batteries

Realizing a high sulfur loading cathode is a necessary measure for assembling a high actual energy density lithium sulfur battery, which requires consideration of conductivity, reaction interface, confinement of lithium polysulfide, and redox kinetics. Herein, a pomegranate-inspired dual-stage porous graphene foam with large cavity skeletons and submicron small cavity carriers is obtained by combining the bubble-template and the flash-freezing ice-template. Furthermore, the redox mediator of poly (1-aminoanthraquinone) is electropolymerized onto it to obtain a sulfur host with high specific surface area and strong confinement capability. The nanosized sulfur deposition behavior and the rich electronic relay capability of the sulfur host are analyzed by the independent gradient model combined with in-situ Raman spectroscopy. Besides, a few of electro-depolymerization products of poly (1-aminoanthraquinone) are confirmed to be able to migrate to the anode surface to stabilize lithium deposition. With these merits, the assembled lithium sulfur batteries exhibit a discharge capacity of 1214 mAh g−1 and a high capacity retention rate of 75.1 % after 800 cycles at a sulfur loading of 10.0 mg cm−2, and provide an excellent areal capacity of 17.5 mAh cm−2 (867 mAh g−1) even at an ultra-high sulfur loading of 20.1 mg cm−2.

Bridging of Cove Regions: A Strategy for Realizing Persistently Chiral Double Heterohelicenes with Attractive Luminescent Properties

AbstractThe racemization of chiral organic compounds is a common chemical phenomenon. However, it often poses configurational‐stability issues to the application of this class of compounds. Achieving chiral organic compounds without the risk of racemization is fascinating, but it is challenging due to a lack of strategies. Here, we reveal the cove‐regions bridging strategy for achieving persistently chiral multi‐helicenes (incapable of racemization), based on the synthesized proof‐of‐concept double hetero[4]helicenes featuring macrocycle structures with a small 3D cavity. Additionally, we demonstrate that the strategy is also effective in tuning the electronic structures of multi‐helicenes, resulting in a conversion from luminescence silence into thermally activated delayed fluorescence (TADF) for the present system. Furthermore, red circularly polarized TADF based on small double [4]helicene systems is achieved for the first time using this strategy. The disclosed cove‐regions bridging strategy provides an opportunity to modulate the electronic structures and luminescent properties of multi‐helicenes without concern for racemization, thus significantly enhancing the structural and property diversity of multi‐helicenes for various applications.

Bridging of Cove Regions: A Strategy for Realizing Persistently Chiral Double Heterohelicenes with Attractive Luminescent Properties.

The racemization of chiral organic compounds is a common chemical phenomenon. However, it often poses configurational-stability issues to the application of this class of compounds. Achieving chiral organic compounds without the risk of racemization is fascinating, but it is challenging due to a lack of strategies. Here, we reveal the cove-regions bridging strategy for achieving persistently chiral multi-helicenes (incapable of racemization), based on the synthesized proof-of-concept double hetero[4]helicenes featuring macrocycle structures with a small 3D cavity. Additionally, we demonstrate that the strategy is also effective in tuning the electronic structures of multi-helicenes, resulting in a conversion from luminescence silence into thermally activated delayed fluorescence (TADF) for the present system. Furthermore, red circularly polarized TADF based on small double [4]helicene systems is achieved for the first time using this strategy. The disclosed cove-regions bridging strategy provides an opportunity to modulate the electronic structures and luminescent properties of multi-helicenes without concern for racemization, thus significantly enhancing the structural and property diversity of multi-helicenes for various applications.

Low-Threshold Anti-Stokes Raman Microlaser on Thin-Film Lithium Niobate Chip.

Raman microlasers form on-chip versatile light sources by optical pumping, enabling numerical applications ranging from telecommunications to biological detection. Stimulated Raman scattering (SRS) lasing has been demonstrated in optical microresonators, leveraging high Q factors and small mode volume to generate downconverted photons based on the interaction of light with the Stokes vibrational mode. Unlike redshifted SRS, stimulated anti-Stokes Raman scattering (SARS) further involves the interplay between the pump photon and the SRS photon to generate an upconverted photon, depending on a highly efficient SRS signal as an essential prerequisite. Therefore, achieving SARS in microresonators is challenging due to the low lasing efficiencies of integrated Raman lasers caused by intrinsically low Raman gain. In this work, high-Q whispering gallery microresonators were fabricated by femtosecond laser photolithography assisted chemo-mechanical etching on thin-film lithium niobate (TFLN), which is a strong Raman-gain photonic platform. The high Q factor reached 4.42 × 106, which dramatically increased the circulating light intensity within a small volume. And a strong Stokes vibrational frequency of 264 cm-1 of lithium niobate was selectively excited, leading to a highly efficient SRS lasing signal with a conversion efficiency of 40.6%. And the threshold for SRS was only 0.33 mW, which is about half the best record previously reported on a TFLN platform. The combination of high Q factors, a small cavity size of 120 μm, and the excitation of a strong Raman mode allowed the formation of SARS lasing with only a 0.46 mW pump threshold.

Cavity Swelling of 15-15Ti Steel at High Doses by Ion Irradiation.

The titanium-stabilized austenitic stainless steel Fe-15Cr-15Ni, which shows enhanced resistance to irradiation swelling compared with more traditional 316Ti, has been selected as a core material for fast reactors. Data on the evolution of irradiation swelling in 15-15Ti steels at very high doses, which cannot be easily achieved by neutron irradiation, are still lacking. In this paper, the swelling behavior of the titanium-modified austenitic stainless steel 15-15Ti was investigated by pre-implantation of He at room temperature followed by Ni-ion irradiation at 580 °C to peak doses of 120, 240 and 400 dpa. Relatively small cavities were observed in the zone of helium implantation, while large cavities appeared in the region near the damage peak. A correction formula for the dpa curve was proposed and applied to samples with large swelling. It was found that the steady-state swelling rate of 15-15Ti remains at ~1%/dpa even at high doses. By comparing the swelling data of the helium-implanted and helium-free regions at same doses, 70 dpa and 122 dpa, the suppression of swelling by excessive helium can be deduced at such doses.

Chronic otorrhea and osteomyelitis of the external auditory canal by Achromobacter xylosoxidans: an uncommon diagnosis

PurposeAchromobacter xylosoxidans is an emerging pathogen mainly associated with resistant nosocomial infections. This bacteria had been isolated in the ear together with other pathogens in cultures from patients with chronic otitis media, but it had never been reported as a cause of osteomyelitis of the external auditory canal.Case presentationWe present a unique case of a healthy 81-year-old woman who presented with left chronic otorrhea refractory to topical and oral antibiotic treatment. Otomicroscopy revealed an erythematous and exudative external auditory canal (EAC) with scant otorrhea. The tympanic membrane was intact, but an area of bone remodeling with a small cavity anterior and inferior to the bony tympanic frame was observed. Otic culture isolated multi-drug-resistant A. xylosoxidans, only sensitive to meropenem and cotrimoxazole. Temporal bone computed tomography showed an excavation of the floor of the EAC compatible with osteomyelitis. Targeted antibiotherapy for 12 weeks was conducted, with subsequent resolution of symptoms and no progression of the bone erosion.ConclusionsAtypical pathogens such as A. xylosoxidans can be the cause of chronic otitis externa. Early diagnosis and specific antibiotherapy can prevent the development of further complications, such as osteomyelitis. In these cases, otic cultures play an essential role to identify the causal germ. This is the first case of EAC osteomyelitis due to A. xylosoxidans reported to date.

Cavitation in die drawn poly(4-methyl-1-pentene) during second-stage tensile deformation

Pre-oriented poly (4-methyl-1-pentene) samples were prepared by the die drawing process. The stress whitening phenomenon induced by cavities in the different die drawn P4M1P samples during the second-stage tensile deformation was investigated at temperatures below and above Tg. At 30 °C and 50 °C, the cavitation process near yield point is influenced by the fraction of unoriented crystalline phase in pre-oriented samples. Cavities originate from the fracture of the crystalline skeleton at small strains were observed in the sample with a high fraction of unoriented crystalline phase. At high deformation temperature, the small strain cavities were suppressed and the cavitation processes in all die drawn samples are due to the failure of the highly oriented fibrillar network caused by the breaking of the load-bearing interfibrillar/microfibrillar tie molecule chains.

A Naphthoquinoline-Dione-Based Cu2+ Sensing Probe with Visible Color Change and Fluorescence Quenching in an Aqueous Organic Solution.

Copper metal ions (Cu2+) are widely used in various industries, and their salts are used as supplementary components in agriculture and medicine. As this metal ion is associated with various health issues, it is necessary to detect and monitor it in environmental and biological samples. In the present report, we synthesized a naphthoquinoline-dione-based probe 1 containing three ester groups to investigate its ability to detect metal ions in an aqueous solution. Among various metal ions, probe 1 showed a vivid color change from yellow to colorless in the presence of Cu2+, as observed by the naked eye. The ratiometric method using the absorbance ratio (A413/A476) resulted in a limit of detection (LOD) of 1 µM for Cu2+. In addition, the intense yellow-green fluorescence was quenched upon the addition of Cu2+, resulting in a calculated LOD of 5 nM. Thus, probe 1 has the potential for dual response toward Cu2+ detection through color change and fluorescence quenching. 1H-NMR investigation and density functional theory (DFT) calculations indicate 1:1 binding of the metal ion to the small cavity of the probe comprising four functional groups: the carbonyl group of the amide (O), the amino group (N), and two t-butyl ester groups (O). When adsorbed onto various solid surfaces, such as cotton, silica, and filter paper, the probe showed effective detection of Cu2+ via fluorescence quenching. Probe 1 was also useful for Cu2+ sensing in environmental samples (sea and drain water) and biological samples (live HeLa cells).

Mid-infrared spectra of T Tauri disks: Modeling the effects of a small inner cavity on CO2 and H2O emission

Context. The inner few AU of disks around young stars, where terrestrial planets are thought to form, are best probed in the infrared. The James Webb Space Telescope is now starting to characterize the chemistry of these regions in unprecedented detail, building on earlier results of the Spitzer Space Telescope that the planet-forming zone of disks contain a rich chemistry. One peculiar subset of sources characterized by Spitzer are the so-called CO2-only sources, in which only a strong 15 μm CO2 feature was detected in the spectrum. Aims. One scenario that could explain the weak or even non-detections of molecular emission from H2O is the presence of a small, inner cavity in the disk. If this cavity were to extend past the H2O snowline, but not past the CO2 snowline, this could strongly suppress the H2O line flux with respect to that of CO2. For this work, we aimed to test the validity of this statement. Methods. Using the thermo-chemical code Dust And LInes (DALI), we created a grid of T Tauri disk models with an inner cavity, meaning we fully depleted the inner region of the disk in gas and dust starting from the dust sublimation radius and ranging until a certain cavity radius. Cavity radii varying in size from 0.1 to 10 AU were explored for this work. We extended this analysis to test the influence of cooling through H2O ro-vibrational lines and the luminosity of the central star on the CO2 /H2O flux ratio. Results. We present the evolution of the CO2 and H2O spectra of a disk with inner cavity size. The line fluxes show an initial increase as a result of an increasing emitting area, followed by a sharp decrease. As such, when a large-enough cavity is introduced, a spectrum that was initially dominated by H2O lines can become CO2-dominated instead. However, the cavity size needed for this is around 4–5 AU, exceeding the nominal position of the CO2 snowline in a full disk, which is located at 2 AU in our fiducial, L* = 1.4 L⊙ model. The cause of this is most likely the alteration of the thermal structure by the cavity, which pushes the snowlines outward. In contrast, our models show that global temperature fluctuations, for example due to changes in stellar luminosity, impact the fluxes of H2O and CO2 roughly equally, thus not impacting their ratio much. Alternative explanations for bright CO2 emission are also briefly discussed. Conclusions. Our modeling work shows that it is possible for the presence of a small inner cavity to explain strong CO2 emission in a spectrum. However, the cavity needed to do so is larger than what was initially expected. As such, this scenario will be easier to test with sufficiently high angular resolution (millimeter) observations.

Stability Analysis for High-Speed Boundary-Layer Flow with Cavities

This study uses direct numerical simulation and stability analysis methods to investigate the impact of wall cavity defects on the instability of boundary layers at Ma=5.92 and Ma=1.38. For flow at Ma=5.92, synchronization points with equal phase velocities in both fast and slow modes play a crucial role in controlling disturbance wave growth. When the inlet disturbance wave frequency (ω=0.98) approaches the synchronization point frequency, the impact of cavity size on the growth of the disturbance wave can be divided into three regions in the (L/δ99, D/δ99) plane, namely, region A, region B, and region C. Region A refers to small cavities with L/δ99<2, which have the weakest suppression effect. Region B includes large cavities with L/δ99>2 and D/δ99<1.5 and exhibits the best suppression effect. Finally, region C covers cavities with L/δ99>3 and D/δ99>1.5 and shows a non-monotonic control effect on the growth of disturbance wave as the cavity depth varies. For flow at Ma=1.38, cavities of different sizes always enhance the growth of disturbance waves. The widest and shallowest cavities (L/δ99>5, D/δ99<2) exhibit the most significant enhancement.

Clamparene: Synthesis, Structure, and Its Application in Spontaneous Formation of 3D Porous Crystals.

Macrocyclic arenes have emerged as pivotal scaffolds in supramolecular chemistry. Despite their significant contributions to molecular recognition and diverse applications, challenges persist in the development of macrocyclic arene-based crystalline materials, particularly in achieving porosity and addressing limitations in adsorption efficiency resulting from the small cavity sizes of existing macrocyclic arenes. In this study, we present the design and synthesis of a novel macrocyclic arene, clamparene (CLP), featuring a rigid backbone, easy synthesis, and a sizable cavity. CLP self-assembles into one-dimensional sub-nanotubes that further organize into a three-dimensional porous framework in the solid state. The crystalline solid of CLP exhibits potential as a porous crystalline adsorbent for various benzene-based contaminants with rapid adsorption kinetics, large uptake amounts, and good recyclability.

Chemical and structural degradation of room temperature vulcanizing (RTV) silicone at high temperatures

Room temperature vulcanizing (RTV) silicone is an insulating adhesive used on thermal protection systems of space capsules. RTV materials experience significant heating during entry into an atmosphere. To understand the response of RTV materials in entry environments, RTV 511 and RTV 560 are heated in a mass spectrometer, a thermogravimetric analyzer, and a high-temperature flow tube furnace to understand the underlying chemical and structural degradation processes occurring during the decomposition of the two RTV materials. In addition, infrared spectroscopy is used to identify the functional groups and the polymer backbone configuration. X-ray computed tomography is used to create three-dimensional volumes of the decomposed samples to examine the structure of the degraded RTV materials. The three-dimensional volumes are also used to evaluate the permeability of degraded RTV materials. It is observed that both RTV materials decompose in three stages. Analysis of the three-dimensional volumes generated through X-ray computed tomography indicates that the decomposition begins with the formation of small cavities in both RTV variants. However, as the materials are subjected to higher temperatures, RTV 511 evolves into an outer solid layer with cavities inside, while the solid material in RTV 560 is distributed more homogeneously throughout the material, resulting in a structure with better mechanical integrity. Although most regions of both RTV variants are impermeable, certain regions of RTV 511 have a permeability that is two orders of magnitude higher than the permeability of the base heat shield material. The overall analysis indicates that the response of RTV materials to heat must be considered in the design and analysis of thermal protection systems.

Effects of hsian-tsao polysaccharide on myosin gel structure and its binding capacity to flavor compounds

Hsian-tsao polysaccharide (HTP) with preferable biological activities was explored to improve the gel qualities of surimi. This study investigated the effects of HTP (0–1.0 mg/mL) on structural changes, in vitro digestibility, and fishy odor binding capacity of heat-induced myosin gels (30 mg/mL). HTP promoted the unfolding of myosin structure with transitions from α- helixes to β-sheets, accompanied by the enhancement of hydrophobic bonds, hydrogen bonds, and non-disulfide covalent bonds dominated within gel networks. Moreover, HTP facilitated the formation of compact gel structures of myosin with superior elastic properties (G′ > G′′) and apparent viscosity, but without affecting the final in vitro digestibility. Moreover, the microstructure of gels markedly affected the adsorption rate of flavor compounds, with a lower adsorption rate obtained for myosin-HTP gels with compact gel networks embedded with evenly small cavities. Additionally, HTP affected the flavor-binding capacities of myosin gels by increasing hexanal and heptanal, but reducing nonanal and 1-octen-3-ol, in relation to the combined effects of myosin structural changes and newly formed gel networks. This work provides a new prospect for application of HTP to regulate the adsorption rate and binding capacity of myosin gels to fishy odors, critical for improvement of gel properties in surimi products.

CLINICAL FINDINGS OF DENTAL DISEASE AND POTENTIAL CONTRIBUTING FACTORS IN PYGMY SLOW LORISES (NYCTICEBUS PYGMAEUS) UNDER HUMAN CARE.

Dental disease is a common finding in pygmy slow lorises (Nycticebus pygmaeus) under human care, but the etiology is not fully understood. The small oral cavity in this species can make diagnosis of dental disease difficult. This retrospective study evaluated medical records and diet and husbandry protocols from 18 participating institutions with the objective of describing the signalment, clinical signs, physical exam findings, tooth type, tooth location, diagnostics used, and treatments performed to help guide care for dental disease. In addition, the study aimed to identify potential contributing factors to dental disease in this species. Of 59 animals with medical records evaluated, 42 (71.2%) had dental disease: 19 (44.2%) males, 20 (46.5%) females, and 3 (9.3%) without gender documented. Average age at onset of dental disease was 7.6 yr in males and 9 yr in females. Multiple lorises with dental disease (n = 12; 28.6%) had no premonitory clinical signs, and dental disease was found incidentally on examination. On dental examination, 30 lorises (71.4%) had evidence of gingivitis. In 13 cases skull radiographs were taken, but the majority of images (n = 8; 61.5%) were nondiagnostic for pathologic dental changes. A small proportion of cases with dental abnormalities (n = 4; 9.5%) were diagnosed using computed tomography. In total, 175 teeth were extracted from 31 patients; molars were the most frequently extracted tooth (n = 55; 31.4%). No substantial differences in diets were noted among many of the participating institutions, and not all slow lorises evaluated developed dental disease (n = 17; 28.8%). This retrospective study provides clinical findings on slow loris dental disease and guidance for the veterinary care and management of slow lorises under human care.

Stress-thermal aging properties of silicone rubber used for cable accessories and electric-thermal-stress multiple fields coupling simulation

During the long-term operation of a cable, the electrical field, high temperature, and interface stress may age or deteriorate the silicon rubber (SIR) insulation of the cable accessories, affecting the combined electrical-thermal-force performance of the accessories, and easily causing discharge faults. In this work, the electrical-thermal-force properties of silicone rubber for cable accessories under thermal aging and combined force-thermal aging are studied experimentally and numerically. The changes and mechanisms of physical and chemical properties, electrical properties, thermal properties and mechanical properties of silicone rubber are tested and compared before and after aging. The changes of electric, thermal and force field of cable accessories, caused by the change of SIR material parameters under different aging time and aging form, are further simulated. The experimental results show that the crosslinking degree and molecular motion system of SIR will change with the deepening of the aging degree, which will change the electrical-thermal-force properties of the material to different degree. After aging, large agglomeration protrudes and small cavities appear in SIR section, and the damage is more serious under force-thermal aging. The relative dielectric constant first decreases and then increases with the aging time increasing. The volume resistivity, breakdown strength and flashover voltage all first increase and then decrease. The thermal conductivity first increases and then decreases with aging time increasing. In addition, with the increase of aging time, the tensile strength and elongation at break decrease gradually. Considering the change of properties after aging, the destruction of SIR material by force-thermal aging is more serious. The simulation results show that under the two aging modes, the maximum electric field strength at the stress cone root of the cable accessories first increases and then decreases with the increase of time. The electric field strength at the stress cone root of the cable accessories, caused by the force-thermal aging, changes little, maintaining about 2.2 kV/mm. The difference in temperature between the inside and the outside of the insulation layer is obvious under different aging degree, and the temperature difference shows a first decreasing and then increasing trend under both aging modes, and the maximum temperature gradient is 9.15 ℃. The interface stress at the stress cone root decreases from 0.263 to 0.230 MPa, which is about 12.5% lower. This work has guiding significance in evaluating the insulation performance and analyzing the fault of distribution cable accessories.

Transition metal complexes of the (2,2,2-trifluoroethyl)phosphinate NOTA analogue as potential contrast agents for 19F magnetic resonance imaging.

A new hexadentate 1,4,7-triazacyclononane-based ligand bearing three coordinating methylene-(2,2,2-trifluoroethyl)phosphinate pendant arms was synthesized and its coordination behaviour towards selected divalent (Mg2+, Ca2+, Mn2+, Fe2+, Co2+, Ni2+, Cu2+, Zn2+) and trivalent (Cr3+, Fe3+, Co3+) transition metal ions was studied. The ligand forms stable complexes with late divalent transition metal ions (from Co2+ to Zn2+) and the complexes of these metal ions are formed above pH ∼3. A number of complexes with divalent metal ions were structurally characterized by means of single-crystal X-ray diffraction. The complex of the larger Mn2+ ion adopts a twisted trigonally antiprismatic geometry with a larger coordination cavity and smaller torsion of the pendant arms, whereas the smaller ions Ni2+, Cu2+ and Zn2+ form octahedral species with a smaller cavity and larger pendant arm torsion. In the case of the Co2+ complexes, both coordination arrangements were observed. The complexes with paramagnetic metal ions were studied from the point of view of potential utilization in 19F magnetic resonance imaging. A significant shortening of the 19F NMR longitudinal relaxation times was observed: a sub-millisecond range for complexes of Cr3+, Mn2+ and Fe3+ with symmetric electronic states (t2g3 and HS-d5), the millisecond range for the Ni2+ and Cu2+ complexes and tens of milliseconds for the Co2+ complex. Such short relaxation times are consistent with a short distance between the paramagnetic metal ion and the fluorine atoms (∼5.5-6.5 Å). Among the redox-active complexes (Mn3+/Mn2+, Fe3+/Fe2+, Co3+/Co2+, Cu2+/Cu+), the cobalt complexes show sufficient stability and a paramagnetic-diamagnetic changeover with the redox potential lying in a physiologically relevant range. Thus, the Co3+/Co2+ complex pair can be potentially used as a smart redox-responsive contrast agent for 19F MRI.

Post-harvest quality of melon accessions subjected to salinity.

The objective was to evaluate the behavior of melon genotypes (Cucumis melo L.) in the physical, chemical and biochemical quality of melon fruits as a function of electrical conductivity irrigation water levels (ECw). The experimental design adopted was randomized blocks in a 5 x 3 factorial scheme with five replications. The first factor was represented by five salinity levels (0.5, 1.5, 3.0, 4.5, and 6.0 dS m-1) and the second factor by accessions A35, and A24, and the hybrid Sancho. The physical, chemical and biochemical variables showed a reduction in production, with smaller fruits, with less weight, smaller cavity, with increased pulp thickness for Sancho. Vitamin C and yellow flavonoids increased indicating antioxidant power against ROS. The genotypes showed similar post-harvest behavior, however, the hybrid Sancho stood out over the others, possibly because it is an improved material. Accession A24 presented physiological and biochemical responses that classify it as intolerant.

Controlling product selectivity and catalyst lifetime by altering acid strength, cavity size of SAPO, and diffusion rate of methanol in the MTO reaction: DFT and MD calculations.

The initiation mechanisms of the MTO process over silicoaluminophosphate (SAPO) catalysts with zeolite-like structures using first-principles calculations have been investigated. The supramolecular system of silicoaluminophosphates consisting of inorganic cages with Brønsted acid sites and trapped organic compounds was used as a catalyst in the MTO reaction. To study the structure-property relationship in more detail, the effect of acidity and cage size of different types of SAPOs (SAPO-18, SAPO-34, and SAPO-17 with CHA, AEI, and ERI structures, respectively) in the aromatic cycle of hydrocarbon pool mechanism was investigated. The differences in reaction barriers can be explained by the cage size, pore topology, and environment of framework protons of materials. Product selectivity was controlled by using cavity-type zeolite, the steric constraint of the cavity for the formation of critical intermediates, and acidic strength. The results show that ethylene selectivity increases as the cavity size decreases, and the elliptical pore size of the structures decreases, thereby decreasing the acidity of the zeolite structure, leading to an increase in propylene selectivity. SAPO-18 exhibits the longest reaction lifetime and has the highest amount of carbonaceous material after reaction completion. SAPO-17 with small pore and cavity size is selective to ethylene, although it shows a rapid catalyst deactivation rate.