Double Group Research Articles

Modelling Mucus Clearance in Sinuses: Thin-Film Flow Inside a Fluid-Producing Cavity Lined with an Active Surface

The paranasal sinuses are a group of hollow spaces within the human skull, surrounding the nose. They are lined with an epithelium that contains mucus-producing cells and tiny hairlike active appendages called cilia. The cilia beat constantly to sweep mucus out of the sinus into the nasal cavity, thus maintaining a clean mucus layer within the sinuses. This process, called mucociliary clearance, is essential for a healthy nasal environment and disruption in mucus clearance leads to diseases such as chronic rhinosinusitis, specifically in the maxillary sinuses, which are the largest of the paranasal sinuses. We present here a continuum mathematical model of mucociliary clearance inside the human maxillary sinus. Using a combination of analysis and computations, we study the flow of a thin fluid film inside a fluid-producing cavity lined with an active surface: fluid is continuously produced by a wall-normal flux in the cavity and then is swept out, against gravity, due to an effective tangential flow induced by the cilia. We show that a steady layer of mucus develops over the cavity surface only when the rate of ciliary clearance exceeds a threshold, which itself depends on the rate of mucus production. We then use a scaling analysis, which highlights the competition between gravitational retention and cilia-driven drainage of mucus, to rationalise our computational results. We discuss the biological relevance of our findings, noting that measurements of mucus production and clearance rates in healthy sinuses fall within our predicted regime of steady-state mucus layer development.

Comparing posterior airway space changes in Class III patients treated with face mask and reverse chin cup

Objectives: The aim was to compare the posterior airway changes in patients treated with a face mask and reverse chin cup and to assess the stability over a 1.5-year follow-up period. Material and Methods: This historical cohort study consisted of two groups containing 20 patients with skeletal Class III malocclusion. The average age of the patients in groups one (Facemask) and two (reverse chin cup) was 7.77 ± 1.30 years and 8.6 ± 1.36 years, respectively. Seventeen cephalometric variables were measured before, after treatment, and after a 1.5-year follow-up. Comparisons were made within each group and between the two groups. Repeated measures, analysis of variance, or Friedman test were used. Results: There was no significant difference between the two groups in the posterior airway space. For patients who used face masks, six variables (AD1-posterior nasal spine [PNS], AD2-PNS, anterior nasal spine [ANS]-PNS, ANS-PNS-PPW, AA-PNS, and PNS-P) considerably increased (P < 0.05). In the reverse chin cup group, three variables (AD2-PNS, ANS-PNS-PPW, and PNS-P) considerably changed (P < 0.05). Moreover, no significant changes (P > 0.05) were observed in any variables after the 1.5-year follow-up period. Conclusion: In this study, the reverse chin cup and face mask effectively corrected Class III malocclusion and significantly increased the posterior airway space. The face mask showed greater enhancement compared to the reverse chin cup, and these improvements were maintained after a 1.5-year follow-up. However, the two groups had no significant difference regarding the posterior airway space changes.

Pomegranate Peel-Derived Hard Carbons as Anode Materials for Sodium-Ion Batteries.

Exploring high-performance carbon anodes that are low-cost and easily accessible is the key to the commercialization of sodium-ion batteries. Producing carbon materials from bio by-products is an intriguing strategy for sodium-ion battery anode manufacture and for high-value utilization of biomass. Herein, a novel hard carbon (PPHC) was prepared via a facile pyrolysis process followed by acid treatment using biowaste pomegranate peel as the precursor. The morphology and structure of the PPHC were influenced by the carbonization temperature, as evidenced by physicochemical characterization. The PPHC pyrolyzed at 1100 °C showed expanded interlayer spacing and appropriate oxygen group content. When used as a sodium ion battery anode, the PPHC-1100 demonstrated a reversible capacity of up to 330 mAh g-1, maintaining 174 mAh g-1 at an increased current rate of 1 C. After 200 cycles at 0.5 C, the capacity delivered by PPHC-1100 was 175 mAh g-1. The electrochemical behavior of PPHC electrodes was investigated, revealing that the PPHC-1100 possessed increased capacitive-controlled energy storage and improved ion transport properties, which explained its excellent electrochemical performance. This work underscores the feasibility of high-performance sodium-ion battery anodes derived from biowaste and provides insights into the sodium storage process in biomass-derived hard carbon.

Dual‐Catalytic Structural Isomerisation as a Route to α‐Arylated Ketones

AbstractIsomerisation reactions provide streamlined routes to organic compounds which are otherwise hard to directly synthesise. The most common forms are positional, geometrical or stereochemical isomerisations which involve the relocation of a double bond or a change in relative location of groups in space. In contrast, far fewer examples of structural (or constitutional) isomerisation exist where the connectivity between atoms is altered. The development of platforms capable of such rearrangement poses a unique set of challenges because chemical bonds must be selectively cleaved, and new ones formed without overall addition or removal of atoms. Here, we show that a dual catalytic system can enable the structural isomerisation of readily available allylic alcohols into more challenging‐to‐synthesise α‐arylated ketones via a H‐atom transfer initiated semi‐pinacol rearrangement. Key to our strategy is the combination of a cobalt catalyst and photocatalyst under reductive, protic conditions which allows intermediates to propagate catalytic turnover. By providing an unusual disconnection to structural motifs which are difficult to access through direct arylation, we anticipate inspiring other advanced catalytic isomerisation strategies that will further retrosynthetic logic for complex molecule synthesis.

Dual-Catalytic Structural Isomerisation as a Route to α-Arylated Ketones.

Isomerisation reactions provide streamlined routes to organic compounds which are otherwise hard to directly synthesise. The most common forms are positional, geometrical or stereochemical isomerisations which involve the relocation of a double bond or a change in relative location of groups in space. In contrast, far fewer examples of structural (or constitutional) isomerisation exist where the connectivity between atoms is altered. The development of platforms capable of such rearrangement poses a unique set of challenges because chemical bonds must be selectively cleaved, and new ones formed without overall addition or removal of atoms. Here, we show that a dual catalytic system can enable the structural isomerisation of readily available allylic alcohols into more challenging-to-synthesise α-arylated ketones via a H-atom transfer initiated semi-pinacol rearrangement. Key to our strategy is the combination of a cobalt catalyst and photocatalyst under reductive, protic conditions which allows intermediates to propagate catalytic turnover. By providing an unusual disconnection to structural motifs which are difficult to access through direct arylation, we anticipate inspiring other advanced catalytic isomerisation strategies that will further retrosynthetic logic for complex molecule synthesis.

Unveiling Chirality Transfer between Chiral Centers and Metal Halides in Chiral Organic-Inorganic Hybrid Metal Halides.

Chirality transfer refers to the process in which chiral cations compel the crystallization of the inorganic component into the Sohncke group. Enhancing the chirality of the inorganic component in chiral organic-inorganic hybrid metal halides (OIHMHs) through chirality transfer, aimed at improving chiroptical and spintronic properties, remains challenging due to the complexity of the underlying mechanism. To investigate this, we propose a novel concept─chirality transfer coefficient─as a means of quantifying the strength of chirality transfer in OIHMHs. A comparative study of OIHMHs with varying dimensionality, metal ions, and chiral centers was conducted to elucidate this mechanism. By analyzing factors such as hydrogen bonding, the number of chiral centers, dimensionality, helical geometry, and structural distortions, we found that chirality transfer is influenced by a combination of structural dimensions and the number of chiral centers. Importantly, our findings reveal that 0D, and 1D OIHMHs, particularly 1D with a zigzag chain configuration, exhibit stronger chirality transfer than their 2D counterparts. Moreover, in 2D OIHMHs, a reduction in the number of chiral centers enhances chirality transfer. However, no direct correlation was observed between chirality transfer and spin splitting. These insights contribute to a more comprehensive understanding of chirality transfer mechanisms and provide a strategic approach for enhancing the chirality transfer and associated physical properties in OIHMHs.

Structural, electrical, leakage current, and magnetic characteristics of double perovskite Nd2NiTiO6

AbstractThis study investigates the structural, electrical, leakage current, and magnetic characteristics of the double perovskite material Nd2NiTiO6 synthesized through the sol–gel citrate auto‐ignition method. The Rietveld refinement of the X‐ray diffraction patterns confirmed a monoclinic symmetry (space group P21/n) with an ordered arrangement of alternate NiO6 and TiO6 octahedra. Impedance spectroscopic analysis exhibited the material's non–Debye‐type relaxation mechanism and semi‐conductive nature. AC conduction analysis revealed that the conduction of charge carriers occurs via the nonoverlapping small polaron hopping mechanism, consistent with Mott's variable range hopping model. Temperature‐ and frequency‐dependent dielectric measurements were interpreted using the Maxwell–Wagner interfacial polarization model. The analysis of thermal‐ and field‐dependent leakage currents established that conduction is ohmic, which the Schottky barrier model explains. Studies on magnetization ruled out the presence of magnetic ordering connected to indirect interaction between Ni2+ ions via Ti4+ ions and the rare‐earth cation (Nd3+) moment.

Effects of ZnO additive on the electrical and densification properties of A-site deficient barium cerate perovskite

The dual strategies of A-site deficiency and addition of ZnO sintering aid have been employed to optimise stability and densify the high-temperature proton conductor Ba0.95Ce0.8Y0.2O3-δ at 1200 °C (B95CYZn-1200). Structural analysis performed by Rietveld refinement based on X-ray diffraction data indicated perovskite phase with monoclinic symmetry (space group, I2/m). Raman spectroscopy revealed the presence of ZnO for material sintered at 1200 °C, which most likely partially resides in grain-boundary regions, leading to enhanced electrical transport observed by impedance spectroscopy at low temperature. Anomalous and reproducible frequency-dependent impedance behaviour below 500 °C, observed in various atmospheres, is suggested to be attributable to the varistor-type properties of ZnO. The electrical conductivity of B95CYZn-1200 in the range 500–900 °C is typical of perovskite proton conductors but with greater conductivity than both Ba-stoichiometric BaCe0.8Y0.2O3-δ and ZnO-free Ba0.95Ce0.8Y0.2O3-δ in wet O2 and N2, reaching ∼ 1.1 S m−1 at 550 °C in wet O2. Resistance to carbonate formation and mechanical breakdown was demonstrated via prolonged impedance measurements in CO2- and H2-containing atmospheres in the range 600–700 °C.

Insight into the Structural and Magnetic Properties of PrZnSi and NdZnSi Compounds Featuring Large Low-Temperature Magnetocaloric Effects.

The magnetocaloric (MC) and magnetic phase transition (MPT) properties in various types of rare earth (RE)-based magnetic materials have been intensively investigated recently, which are aimed at developing suitable MC materials for low-temperature cooling applications and better elucidating their inherent physical properties. We herein provide a combined experimental and theoretical investigation into two new light RE-based magnetic materials, namely, PrZnSi and NdZnSi compounds, regarding their structural, magnetic, MPT, and low-temperature MC properties. Both of these compounds crystallize in an AlB2-type hexagonal structure with a symmetry of the crystallographic space group P6/mmm and reveal a typical second-order-type MPT with ordering temperatures (TC) at approximately 13.5 and 18.5 K for PrZnSi and NdZnSi compounds, respectively. Moreover, they all exhibit large reversible low-temperature MC effects and remarkable performances, which are identified by the parameters of maximum magnetic entropy changes, relative cooling power, and temperature-averaged entropy change (temperature lift 5 K). The deduced values of these MC parameters under a magnetic field change of 0-7 T reach 16.3 J/kgK, 294.46 J/kg, and 15.79 J/kgK for PrZnSi and 15.4 J/kgK, 284.84 J/kg, and 14.95 J/kgK for NdZnSi, respectively, which are evidently better than those of most updated light RE-based magnetic materials with remarkable low-temperature MC performances, indicating that PrZnSi and NdZnSi compounds hold potentials for practical cooling applications.

“Hexagonal” Perovskites: From Stacking Sequence to Space Group Symmetry and New Opportunities

“Hexagonal” Perovskites: From Stacking Sequence to Space Group Symmetry and New Opportunities

Counting vanishing matrix-vector products

Consider the following parameterized counting variation of the classic subset sum problem, which arises notably in the context of higher homotopy groups of topological spaces. Let v∈Qd be a rational vector, (T1,T2…,Tm) a list of d×d rational matrices, S∈Qh×d a rational matrix not necessarily square and k a parameter. The goal is to compute the number of ways one can choose k matrices Ti1,Ti2,…,Tik from the list such that STik⋯Ti1v=0∈Qh.In this paper, we show that this problem is #W[2]-hard for parameter k. As a consequence, computing the k-th homotopy group of a d-dimensional 1-connected topological space for d>3 is #W[2]-hard for parameter k. We also discuss a decision version of the problem and its several modifications for which we show W[1]/W[2]-hardness. This is in contrast to the parameterized k-sum problem, which is only W[1]-hard (Abboud-Lewi-Williams, ESA'14). In addition, we show that the decision version of the problem without parameter is an undecidable problem, and we give a fixed-parameter tractable algorithm for matrices of bounded size over finite fields, parameterized by the matrix dimensions and the order of the field.

Synthesis and crystal structure of acentric anhydrous beryllium carbonate Be(CO3).

The anhydrous alkaline earth metal carbonate Be(CO3) was synthesized in a laser-heated diamond anvil cell at moderate pressures and temperatures (20(2) GPa and 1500(200) K) by a reaction of BeO with CO2. It crystallizes in the acentric, trigonal space group P3121 with Z = 3. The crystal structure was obtained from synchrotron single crystal X-ray diffraction data and confirmed by density functional theory-based calculations in combination with Raman spectroscopy. Second harmonic generation measurements were employed to verify the acentric space group symmetry. The crystal structure of Be(CO3) is characterized by the presence of isolated [CO3]2--groups and BeO4-tetrahedra. This is a new structure type and such a topology has not been observed in carbonates before. Be(CO3) can be recovered to ambient conditions and is not undergoing a phase transition during decompression.

Structural and Magnetic Properties of B-Site-Ordered RE2CuTiO6 (RE = Dy, Ho, and Er) Double-Perovskite Oxides with Significant Cryogenic Magnetocaloric Performance.

The magnetocaloric effect (MCE) is currently intensively investigated in various rare earths (RE)-containing magnetic solids, not only for developing appropriate magnetocaloric materials (MCMs) for cryogenic magnetic cooling but also for deepening our understanding into the inherent physical properties of these materials. Here, we provide a systematic experimental investigation into a series of new RE2CuTiO6 (RE = Dy, Ho, Er) double-perovskite (DP) oxides regarding the structural and magnetic properties, especially for their cryogenic MCE and magnetic-phase transition (MPT). All of these RE2CuTiO6 oxides crystallize in a B-site-ordered hexagonal DP-type structure with the symmetry of the crystallographic space group P6̅m2. These DP oxides exhibit magnetic ordering, with MPT temperatures of approximately 2.7, 2.2, and 2.7 K for Dy2CuTiO6, Ho2CuTiO6, and Er2CuTiO6, respectively. The magnetocaloric performances of the RE2CuTiO6 DP oxides were characterized by the peak values of magnetic entropy change, the temperature-averaged magnetic entropy change (5K-lift), and relative cooling powers. These magnetocaloric parameters were deduced to be 18.7/17.9 J/kgK and 298.2 J/kg for Dy2CuTiO6, 12.5/12.2 J/kgK and 273.9 J/kg for Ho2CuTiO6, and 13.8/12.9 J/kgK and 188.4 J/kg for Er2CuTiO6 under a magnetic field change of 0-5 T. These values are comparable to those of most reported RE-containing magnetocaloric materials, indicating that these RE2CuTiO6 DP oxides are promising candidates for cryogenic magnetic cooling applications.

The Effect of Spaced Repetition on Learning and Knowledge Transfer in a Large Cohort of Practicing Physicians.

Spaced repetition is superior to repeated study for learning and knowledge retention, but literature on the effect of different spaced repetition strategies is lacking. The authors evaluated the effects of different spaced repetition strategies on long-term knowledge retention and transfer. This prospective cohort study, conducted from October 1, 2020, through July 20, 2023, used the American Board of Family Medicine Continuous Knowledge Self-Assessment (CKSA) to assess learning and knowledge transfer of diplomates and residents. Participants were randomized to a control group or 1 of 5 spaced repetition conditions during 5 calendar quarters (January 1, 2021, to March 31, 2022). Participants in the spaced repetition groups received 6 repeated questions once or twice. Incorrectly but confidently answered questions were prioritized for repetition, with decreasing priority for questions answered incorrectly with lesser confidence. All participants received 6 rewritten questions corresponding to their initial questions chosen for repetition in quarter 10 (second quarter of calendar year 2023). A total of 26,258 family physicians or residents who completed the CKSA in the baseline period were randomized. Spaced repetition was superior to no spaced repetition for learning at quarter 6 (58.03% vs 43.20%, P < .001, Cohen d = 0.62) and knowledge transfer at quarter 10 (58.33% vs 52.39%, P < .001, Cohen d = 0.26). Double-spaced repetitions were superior to single-spaced repetitions for learning (62.24% vs 51.83%, P < .001, Cohen d = 0.43) and transfer (60.08% vs 55.72%, P < .001, Cohen d = 0.20). There were no meaningful differences in learning or transfer between repetition strategy chosen in the single- or double-repetition groups. This study affirms the value of spaced repetition in improving learning and retention in medical education and ongoing professional development.

The Curie principle and the Shubnikov system – to the further development of their ideas

The Curie principle, which establishes a relationship between the symmetries of a cause and its effect, was originally developed for finite bodies (crystals), but Pierre Curie himself noted the possibility of its application to extended media. This direction was initiated by the works of A. V. Shubnikov (crystalline media) and I.I. Shafranovsky (mother solution), and it requires further development. The systems of limiting symmetries for finite bodies and extended media are compared. The former is partially correlated with the symmetry system of crystallographic point groups. For the latter, in addition to the known data from Curie and Shubnikov, the introduction of new types of limiting symmetries is theoretically justified, and a general systematization is proposed.

Design and electromagnetic shielding of Bi0.5Na0.5TiO3 ceramics as meta-surface absorber for high-frequency microwave application

EMI shielding reduces ambient electromagnetic (EM) radiation by reflecting and absorbing EM waves. Rapid technological growth has increased electronic gadgets and EM radiations, threatening the environment. Microwave materials with high absorption power and cheap cost are crucial for eliminating electromagnetic difficulties in stealth technologies. This study used a conventional solid-state reaction technique to prepare Bi0.5Na0.5TiO3 (BNT) solid solutions and examined their structural, ferroelectric, dielectric, and shielding characteristics. This research describes an EMI shielding material that efficiently absorbs EM wave-induced radiation. Characterizations have been done to evaluate material behavior to support EMI shielding and confirm its absorbing nature. Field emission scanning electron microscopy (FESEM), Raman spectroscopy, and X-ray diffraction (XRD) were employed to examine the surface morphology, local lattice deformation with ionic configuration, and crystal structure. BNT exhibited a rhombohedral structure with R3c symmetry space group with crystallize size 81.5 nm and showed eight Raman active modes with an average grain size of 1.67 μm. The high dielectric constant, reduced dielectric tangent loss, and enhanced polarization value make BNT ceramic a good choice for electrical devices and microwave applications. BNT ceramics showed EMI shielding owing to absorption (SET ∼ −23.65 dB, SEA ∼ −18.91 dB) at 9.2 GHz in the X-band (8.2–12.4 GHz). Meta-surface-based BNT absorbers were designed and simulated in the CST software. The peak depicted the absorption at 9.2 GHz with absorptivity of 91.56 %, 85.03 %, 84.36 %, and 64.6 % for designs 1, 2, 3, and 4, respectively. BNT ceramics have exceptional dielectric absorption properties, and dielectric and magnetic losses, which make them suitable for EMI shielding and absorption applications in the microwave region.

Enumeration and Representation Theory of Spin Space Groups

Fundamental physical properties, such as phase transitions, electronic structures, and spin excitations, in all magnetic ordered materials, were ultimately believed to rely on the symmetry theory of magnetic space groups. Recently, it has come to light that a more comprehensive group, known as the spin space group (SSG), which combines separate spin and spatial operations, is necessary to fully characterize the geometry and underlying properties of magnetic ordered materials. However, the basic theory of SSG has seldom been developed. In this work, we present a systematic study of the enumeration and the representation theory of the SSG. Starting from the 230 crystallographic space groups and finite translation groups with a maximum order of eight, we establish an extensive collection of over 100 000 SSGs under a four-index nomenclature as well as international notation. We then identify inequivalent SSGs specifically applicable to collinear, coplanar, and noncoplanar magnetic configurations. To facilitate the identification of the SSG, we develop an online program that can determine the SSG symmetries of any magnetic ordered crystal. Moreover, we derive the irreducible corepresentations of the little group in momentum space within the SSG framework. Finally, we illustrate the SSG symmetries and physical effects beyond the framework of magnetic space groups through several representative material examples, including a candidate altermagnet RuO2, spiral spin polarization in the coplanar antiferromagnet CeAuAl3, and geometric Hall effect in the noncoplanar antiferromagnet CoNb3S6. Our work advances the field of group theory in describing magnetic ordered materials, opening up avenues for deeper comprehension and further exploration of emergent phenomena in magnetic materials. Published by the American Physical Society 2024

Enhancing recovery of gold(III) from hydrochloric acid solutions using gemini surfactant microemulsions: The effect of spacer group

The recovery of precious metals from waste has garnered significant attention owing to their non-renewable nature and essential role in the burgeoning information industry. However, enhancing the extraction efficiency of microemulsions remains a significant challenge. In this study, three water-in-oil microemulsions were formulated using gemini surfactants with different spacers (14-OH-14, 14-SO4-14, and 14-3-14) as emulsifiers, supplemented with n-butanol as a cosurfactant, n-heptane as the oil phase, and NaCl aqueous solution as the internal aqueous phase. These microemulsions were employed for the extraction of gold(III) from hydrochloric acid solutions. The results illustrate that all three microemulsions effectively extracted gold(III) through a spontaneous, exothermic, enthalpy-driven anion-exchange mechanism, achieving notable extraction efficiency. In contrast to 14-3-14, incorporating –OH into the spacer significantly augments the positive electrostatic potential through the cationization of –OH in an HCl solution, resulting in a higher binding constant (2.43) and thereby improving the extraction efficiency. However, the presence of −SO4 diminishes the positive electrostatic potential through partial neutralization, resulting in a lower binding constant (1.17), which is detrimental to the extraction process. Response surface optimization revealed that concentrations of C(14-OH-14) and V(1-butanol) significantly influence extraction efficiency and exhibit pronounced interaction. At optimal conditions (C(14-OH-14) = 0.09 mol·L−1, V(1-butanol) = 47.41 %, R=20, and C(NaCl) = 1.57 mol·L−1), over 95.54 % of gold(III) can be extracted from actual e-waste solutions. This study offers an alternative approach for designing or selecting surfactants in microemulsion-based extraction of gold(III) from e-waste.

The relative James construction and its application to homotopy groups

In this paper, we develop the new method to compute the homotopy groups of the mapping cone Cf=Y∪fCX beyond the metastable range by analysing the homotopy of the n-th filtration of the relative James construction J(X,A) for CW-pair A↪iX, defined by B. Gray, which is homotopy equivalent to the homotopy fiber of the pinch map X∪iCA→ΣA. As an application, we compute the 5 and 6-dim unstable homotopy groups of 3-dimensional mod 2r Moore spaces for all positive integers r.

Synthesis and Characterization of Folic Acid-Conjugated Terbium Complexes as Luminescent Probes for Targeting Folate Receptor-Expressing Cells.

Several conjugates between folic acid and a series of kinetically stable lanthanide complexes have been synthesized, using amide coupling and azide-alkyne cycloaddition methodologies to link the metal-binding domain to folate through a variety of spacer groups. While all these complexes exhibit affinity for the folate receptor, it is clear that the point of attachment to folate is essential, with linkage through the γ-carboxylic acid giving rise to significantly enhanced receptor affinity. All the conjugates studied show affinities consistent with displacing biological circulating folate derivatives, 5-methyltetrahydrofolate, from folate receptors. All the complexes exhibit luminescence with a short-lived component arising from ligand fluorescence overlaid on a much longer lived terbium-centered component. These can be separated using time-gating methods. From the results obtained, the most promising approach to achieve sensitized luminescence in these systems requires incorporating a sensitizing chromophore close to the lanthanide.