Degree Of Disorder Research Articles

Structural Properties of Amorphous Vanadium Pentoxide Under Compression

Structural properties of amorphous vanadium pentoxide (V2O­5) under compression investigated by molecular dynamics simulation. The simulated amorphous V2O5 is composed of basic structural units of type VO5, VO6 at low-pressure and VO6, VO7 at high-pressure. These basic structural units connected by vertex-, edge- and face- shared links to form a structural network. The random distribution of atom and void clusters leading to a high degree of disorder in the V2O5 structure. Under compression, the fraction of average vertex-, edge- and face- shared links increased strongly. The number of VCs and VTs also increases as the large voids are divided into smaller voids. Our results also elucidated the decreasing of cross-section and increasing of length in VTs are main causes for increasing ion conductivity of the amorphous V2O5.

Air-mediated phosphoric acid activation strategy for preparation of oxygenated functional groups rich activated carbon for capacitive deionization

Atmosphere during H3PO4 activation is vital to the texture structure and surface-interface properties of activated carbon (AC), but the researches are way out of sufficiency. In this work, it is found that the air in the H3PO4 activation process is not only conducive to the introduction of more-oxidized oxygenated functional groups on ACs, but also beneficial to the formation of micropores rather than mesopores. Besides, as the air content increases in H3PO4 activation, the ACs’ ash, phosphorous content and conductivity reduce, but their wettability, disorder degree and defect number increase. In addition, the potential of zero charge of the as-prepared ACs is positively correlated with the O-CO content, which show a pattern of first increasing and then decreasing with the increase of air content. Benefit from the improved hydrophilicity, electrolyte-affinity, additional adsorption sites for sodium ions, the optimal AC exhibits excellent salt adsorption capacity of 12.08 mg g−1 and good cycling stability at 1.0 V in single-pass capacitive deionization. This work not only establishes a novel and effective method for regulating the texture structure and surface properties of ACs, but also provides promising cathode candidates for capacitive deionization application.

Interface Nuclei in the Y-Ag-Zn System: Three Chemical Pressure-Templated Phases with Lamellar Mg2Zn11- and CaPd5+x-Type Domains.

The interface nucleus approach was recently presented as a framework for understanding and predicting the emergence of modular intermetallic phases, i.e., complex structures derived from the assembly of units from simpler parent structures. Here, we present the synthesis and crystal structures of three new modular intermetallics in the Y-Ag-Zn system that support this strategy: YAg2.79Zn2.80 (I), YAg2.44Zn3.17 (II), and YAg2.71Zn2.71 (III). Each of these structures is derived from an intergrowth of slabs of the Mg2Zn11 and CaPd5+x types, with the chief differences being in the thickness and degree of disorder within the CaPd5+x-type domains. The merging of the parent structure domains is facilitated by their sharing a common geometrical unit, a double hexagonal antiprism. The use of this motif as an interface nucleus mirrors its role in another family of structures: an intergrowth series combining the CaCu5 and Laves phase structure types, as in the PuNi3-type phase YNi3. However, there is a key difference between the two series. While in the CaCu5/Laves intergrowths, the interface between the parent structures arises perpendicular to the interface nucleus's unique (hexagonal) axis, in the Mg2Zn11/CaPd5+x-type intergrowths revealed here, the interfaces run parallel to this axis. Using CP analysis of the Mg2Zn11/CaPd5+x-type parent structures, we trace this behavior to the different directions of high-CP compatibility of the interface nuclei in the Mg2Zn11/CaPd5+x and CaCu5/Laves structure type pairs. In this way, the Y(Ag/Zn)5+x phases highlight the role that interface nuclei play in directing the domain morphologies of modular intermetallic phases.

Neuropsychological and psychometric parameters in the patients with duodenal ulcer depending on Helicobacter pylori presence

Background. The purpose was to study the effect of Helicobacter pylori (H.pylori) in duodenal ulcer on the neuropsychological and psychometric scores. Materials and methods. We conducted a comprehensive clinical, neurological, neuropsychological, and psychometric examination of 60 patients with duodenal ulcer aged 25–60 (the mean of 39.80 ± 1.29) years. All of them were divided into two groups considering whether H.pylori infection was detected (group 1) or not (group 2). The control group included 30 apparently healthy individuals with no somatic abnormalities. To study psychometric and neuropsychological characteristics, the patients were comprehensively tested, in particular using the Beck Depression Inventory for evaluating the severity of depression, the State-Trait Anxiety Inventory for assessing separate dimensions of state and trait anxiety, the Well-being, Activity, Mood (WAM) questionnaire, the Mini-Mental Health Examination for screening cognitive function, the Schulte tables for evaluating the refocusing speeds and performance distribution. Results. The level of depression in H.pylori-positive duodenal ulcer was significantly higher than with H.pylori-negative duodenal ulcer (p < 0.05). The patients from the group 1 had higher scores of state and trait anxiety and the lower ones of the functional state. The concentration of attention detected by means of the Schulte tables was lower in these patients. A direct correlation was found between the degree of depressive disorders and the number of complaints associated with psycho-emotional disorders in the patients with duodenal ulcer (r = 0.61). We found an inverse correlation (p < 0.05) between the anxiety level and the WAM indices, on the one hand, and between depressive disorders and the WAM indices, on the other hand, in the patients with duodenal ulcer. Depression and anxiety were comorbid in 73.3 % of cases in the group 1 and in 30 % of cases in the group 2. Conclusions. The complaints associated with psycho-emotional disorders occurred in the patients with both H.pylori-positive and H.pylori-negative duodenal ulcer; however, they were more frequent in the group 1. The clinical presentations of depression were observed in both groups, but the depression level was significantly higher in the patients with H.pylori-positive duodenal ulcer (p < 0.05). An increase in anxiety was also found in both groups; however, the rates of state and trait anxiety were higher in the group 1. At duodenal ulcer exacerbation, no matter if H.pylori infection was present or not, the patients had unsatisfactory well-being, low activity, and poor mood. The decreased indices of the functional state self-assessment were detected in the group with H.pylori-positive duodenal ulcer. Using the Schulte tables, we found that a decrease in attention concentration was more evident in the group 1 that in the patients with H.pylori-negative duodenal ulcer. Thus, having conducted the neuropsychological and psychometric testing, we conclude that H.pylori infection has not been the main cause of psycho-emotional disorders in duodenal ulcer, but if the patients were infected, the dysfunction was more severe. It was subject to the increased frequency of psycho-emotional complaints, the deterioration in the patients’ sense of well-being, the increased levels of anxiety and depressive disorders.

Optimizing the synthesis of ZnFe2O4 through chemical and physical methods: effects of the synthesis route on the phase purity, inversion, and magnetic properties of spinel zinc ferrite

Abstract In this work, ZnFe2O4 ferrites were prepared by chemical (coprecipitation) and ceramic (ball-milling) methods. The effects of the synthesis route on the phase purity, crystallinity, particle size distribution, and magnetic properties were investigated to identify the most appropriate conditions for the syhnthesis of high quality ferrites. The samples were exmined by X-ray diffraction, scanning electron microscopy, thermal gravimetric analysis, Fourier transform infrared spectroscopy, vibrating sample magnetometry, and Mössbauer spectroscopy. The XRD patterns revealed that a high-purity spinel phase was obtained by coprecipitation at pH ≥ 7 by calcining the pristine powder at T ≥ 900 °C, whereas a single spinel phase was obtained at T ≥ 700 °C in the ball-milling method. The crystallite size of the spinel phase exhibited general increasing trends with the increase of the pH value under the same heat-treatment conditions, and with the increase of the calcination temperature. Additionally, the mean physical particle size exhibited an increasing trend with the increase of the calcination temperature. The VSM measurements revealed a noticeable degree of inversion in the spinel ferrites prepared by coprecipitation (exhibiting the highest degree at pH = 10), and an insignificant degree of inversion in the spinel ferrites prepared by the ceramic method. However, calcining the powder exhibiting the highest degree of inversion (prepared by coprecipitation at pH = 10) at 1100 °C resulted in ordering the zinc ions at tetrahedral sites of the spinel structure. Mössbauer spectra for representative zinc ferrite samples prepared by the two methods revealed a major central doublet (with a small magnetic sextet corresponding to the α-Fe2O3 phase in the sample at pH = 7). The hyperfine parameters of the doublet observed in the Mössbauer spectra of the samples, and the corresponding magnetization behavior revealed a higher degree of ionic disorder in the spinel ferrite prepared by coprecipitation.

Mental Health Disorders in Healthcare Workers Exposed to COVID-19, Mashhad, Iran: A Cross-sectional Study

Background: Healthcare workers (HCWs) who are directly involved in the management of patients with SARS-CoV-2 infection are at higher risk of psychological disorders. Objective: In this study, we evaluated the risk factors related to mental health disorders in HCWs active in the management of the COVID-19 pandemic in Mashhad, Iran. Methods: This was a cross-sectional investigation performed between April 2020 and May 2020 at five referral centers in Mashhad, Iran. Patient Health Questionnaire (PHQ-9), 7-item Generalized Anxiety Disorder scale (GAD-7), Insomnia Severity Index (ISI), Impact of Event Scale–Revised (IESR), and VAS (for fear from COVID-19) to assess depression, anxiety, insomnia, distress and fear related to COVID-19 were filled. Risk factors were evaluated by the regression model. Results: Mean ± SD age of participants was 33.84 ± 7.03 years. Most were females (64.2%). Of 360 participants, 252 had some degree of an anxiety disorder (70%), 63.8% had depression, 55.8% had insomnia, and 72.8% had distress. Work experiences (OR: 0.94, 95% CI = 0.901- 0.983, p = 0.007), exposure to COVID-19 patients (OR: 2.54, 95% CI = 1.37-4.69, p < 0.001), and job status (OR: 1.40, 95% CI = 1.19 -1.54, p < 0.001) were significant predictors of anxiety. Age (OR: 1.15, 95% CI = 1.05-1.27, p = 0.002), exposure to COVID-19 patients (OR: 1.95, 95% CI = 1.04-3.64, p = 0.037), work experience (OR: 0.86, 95% CI = 0.78-0.93, p < 0.001), having children (OR: 0.58, 95% CI = 0.39- 0.87, p = 0.008), and being infected with COVID-19 (OR: 9.95, 95% CI = 1.92-51.64, p < 0.001) were the significant independent factors for depression in participants. Conclusion: COVID-19 could significantly affect HCWs mental health status, specifically depression. By targeting these predictors, health policymakers can reduce the burden of psychological disorders in HCWs.

Tribology performance of diamond-like carbon films on polyether-ether-ketone surfaces

Diamond-like carbon films were deposited on the polymer PEEK surface using a magnetron sputtering system. Experiments were conducted under varying rotational friction speed conditions. Special attention was devoted to assessing the surface condition of spherical spots post-friction experiments. Optical microscopy, friction tester, Raman spectroscopy, XPS analysis, and atomic force microscopy were employed to examine film surface morphology, atomic bonding structure, and surface roughness. The results indicate that thin film wear trace exhibits a graphitization trend that increases and then decreases, peaking around 350 rpm (0.11 m/s). Conversely, for spherical spots, the graphitization pattern is the opposite, suggesting a higher degree of disorder in the transferred film on these spots. XPS analysis reveals multiple chemical bonding structures between carbon and oxygen elements on the spherical spots. Notably, under the optical microscope, spherical spots exhibit clear directional alignment, which is absent on the film surface. This study introduces an innovative approach for producing diamond-like carbon films with lubricating and anti-wear properties. It also provides guidance for designing high-performance polymer tribo-systems in industrial applications.

High Potential Electrochemical Synthesis of Thermally Reduced Graphene Nanomaterial

In this study, we provide electrochemical techniques for synthesizing thermally reduced graphene nanomaterial that have high potential, low defects, cost-effectiveness, and ecological sustainability. The electrochemical exfoliation is carried out by employing a 195 W DC (voltage = 60[Formula: see text]V and current = 3.25 A) power source at a maximum electrolyte temperature of about 92.5∘C within the aqueous suspension of 2[Formula: see text]M of sulfuric acid (H2SO[Formula: see text]. Thereafter, the synthesized nanomaterial was treated in the weak piranha [combination of sulfuric acid and hydrogen peroxide (H2O[Formula: see text]] solution using an electrochemical technique inside the water bath sonicator at 80∘C. X-ray diffraction (XRD) analysis shows the peak of diffraction to the (002) plane of the reduced graphene oxide (RGO) samples emerges at around 2[Formula: see text] and 26.56∘ with an interplanar distance of 3.40 Å and 3.54 Å. According to the XRD data, after the high-temperature thermal reduction phase, the structure of the crystals and interplanar separation were recovered. The size of the crystallite of RGO produced under H2SO4 conditions was discovered to be greater than the crystallite size of graphene oxide produced under piranha solution conditions. The Raman analysis results show that the degree of disorder of the graphene synthesized within the H2O2 was higher than in comparison to the graphene synthesized in H2SO4. Field emission scanning electron microscopy (FE-SEM) results show that graphene synthesized in the presence of H2O2 has a thin and porous microstructure in comparison to H2SO4 with no significant effect on the presence of the availability of the C/O ratio. The atomic force microscopy (AFM) analysis indicates that the surface roughness of the graphene synthesized in the H2O2 was higher than that of the H2SO4. The Fourier transform infrared spectroscopy (FT-IR spectroscopy) analytical results show that the majority of the functional groups have been eliminated within the samples.

Complementary Feeding Practices and Weaning Practices in Morocco: A Systematic Review and Meta-Analysis

Introduction: Complementary feeding represents a crucial phase in an infant's developmental journey. Inadequate implementation, marked by an imbalance in both quantity and quality, can lead to varying degrees of nutritional disorders, whether from excess or deficiency. Study Objectives and Methods: Conducted from December 2023 to February 2024, this research aims to assess the weaning age and the age of initiating dietary diversification among Moroccan infants. Additionally, it seeks to scrutinize specific nutritional practices and behaviors within the Moroccan infant population. Our methodology involved an extensive bibliographic search using databases such as PubMed, Science Direct, Scopus, and Google Scholar, focusing on research conducted in Morocco from 2005 to 2020. Variables examined include the prevalence of breastfeeding at six months, the age of weaning, the commencement of dietary diversification at six months, and the prevalence of advice from healthcare professionals, particularly nursing experts, provided to Moroccan mothers. Results and Discussion: Complementary feeding practices in Morocco navigate the intersection of maternal nutritional beliefs and a plethora of infant feeding concepts, resulting in a complex landscape. The crucial role of medical and nursing personnel in conveying appropriate information and advice to Moroccan mothers is highlighted. Conclusion: Complementary feeding is a pivotal milestone in infant nutrition, necessitating adjustments and updates in Moroccan practices. The active involvement of medical and nursing personnel is essential to ensure optimal weight development and prevent infant nutritional disorders. Impact and Contribution of Patient or Public: Emphasizing the importance of the results in positively influencing infant feeding practices in Morocco, with a focus on the crucial role played by medical and nursing personnel in promoting infant health.

A Method for Measuring Spatial Information of Area Maps Considering the Diversity of Node–Edge and Gestalt Principles

Existing methods for measuring the spatial information of area maps fail to take into account the diversity of adjacency relations and the heterogeneity of adjacency distances among area objects, resulting in insufficient measurement information. This article proposes a method for measuring area map information that considers the diversity of the node–edge and Gestalt principles. Firstly, this method utilizes the adjacency relations between the Voronoi diagram of area objects to construct an adjacency graph that characterizes the spatial distribution of area objects in area maps. This adjacency graph serves as the information representation of area maps. Secondly, the method selects four characteristic indicators, namely geometric information, node degree, adjacency distance, and adjacency strength, to represent the diversity of nodes and edges in the graph that affect spatial information. Finally, nodes in the adjacency graph are taken as the basic units, and the spatial information of area maps is comprehensively calculated by integrating the four characteristics that represent spatial information. To verify the validity and rationality of the proposed method, a dataset of continuously simplified area maps and a dataset of artificially simulated degrees of randomness were designed to evaluate the performance of the existing method and the method proposed in this paper. The results indicate that the correlation between the measurement results obtained by the method proposed in this paper and the degree of disorder is as high as 0.94, outperforming the existing representative methods. Additionally, the correlation between the measurement results of this method and the degree of simplification reaches 1, indicating that the variation range of the measured values is more consistent with the cognitive assumptions based on artificial simulations compared to the existing methods. The experimental results show that the method proposed in this paper is an effective metric approach for representing spatial information in area maps.

Absolute Structures of a Mirror Pair of Infinite Na(H2O)4 + -Connected ε-Keggin-Al13 Species.

The absolute structures of a pair of infinite Na(H2O)4+-connected ε-Keggin-Al13 species (Na-ε-K-Al13) that were inversion structures and mirror images of each other were determined. Single crystals obtained by adding A2SO4 (A = Li, Na, K, Rb, or Cs) solution to NaOH-hydrolyzed AlCl3 solution were subjected to X-ray structure analyses. The statistical results for 36 single crystals showed that all the crystals had almost the same unit cell parameter, belonged to the same F4̅3m space group, and possessed the same structural formula [Na(H2O)4AlO4Al12(OH)24(H2O)12](SO4)4·10H2O. However, the crystals had two inverse absolute structures (denoted A and B), which had a crystallization ratio of 1:1. From Li+ to Cs+, with increasing volume of the cation coexisting in the mother solution, the degree of disorder of the four H2O molecules in the Na(H2O)4+ hydrated ion continuously decreased; they became ordered when the cation was Cs+. Absolute structures A and B are the first two infinite aluminum polycations connected by statistically occupied [(Na1/4)4(H2O)4]+ hydrated ions. The three-dimensional structure of the infinite Na-ε-K-Al13 species can be regarded as the assembly of finite ε-K-Al13 species linked by [(Na1/4)4(H2O)4]+ in a 1:1 ratio. In this assembly, each [(Na1/4)4(H2O)4]+ is connected to four ε-K-Al13 and each ε-K-Al13 is also connected to four [(Na1/4)4(H2O)4]+ in tetrahedral orientations to form a continuous rigid framework structure, which has an inverse spatial orientation between absolute structure A and B. This discovery clarifies that the ε-K-Al13 (or ε-K-GaAl12) species in Na[MO4Al12(OH)24(H2O)12](XO4)4·nH2O (M = Al, Ga; X = S, Se; n = 10-20) exists as discrete groups and deepens understanding of the formation and evolution process of polyaluminum species in forcibly hydrolyzed aluminum salt solution. The reason why Na+ statistically occupies the four sites was examined, and a formation and evolution mechanism of the infinite Na-ε-K-Al13 species was proposed.

Risk Coupling Assessment of Vehicle Scheduling for Shipyard in a Complicated Road Environment

Vehicle scheduling at shipyards can involve delays due to numerous risk factors encountered in the complicated shipyard road environment. This paper studies the problems of risk coupling in shipyard vehicle scheduling based on the risk matrix approach, considering the complicated road environment, assessing the degrees of coupling and disorder. Based on safety-engineering theory and comprehensive analysis of the road environment, four key criteria are identified, vehicles, the road environment, the working environment, and humans, including 12 factors and their specific contents. The degree of coupling between various combinations of risk criteria is quantitatively determined utilizing the N-K model. Additionally, the degree of disorder in the risk criteria is assessed based on information entropy theory. The model’s correction coefficients are determined through comparative analysis of experimental data. By integrating the degree of coupling and disorder, delays caused by different combinations of risk criteria in scheduling tasks are computed. The quantitative evaluation model enables accurate appraisal of risk events during shipyard vehicle scheduling. The model provides a valuable managerial tool to analyze delays caused when specific risk criteria are met and to compare these delays to the potential impact on time resulting from adjusting vehicle scheduling plans. This research has significant implications for enhancing vehicle distribution efficiency in shipyards.

Dodecyl creatine ester therapy: from promise to reality

Pathogenic variants in SLC6A8, the gene which encodes creatine transporter SLC6A8, prevent creatine uptake in the brain and result in a variable degree of intellectual disability, behavioral disorders (e.g., autism spectrum disorder), epilepsy, and severe speech and language delay. There are no treatments to improve neurodevelopmental outcomes for creatine transporter deficiency (CTD). In this spotlight, we summarize recent advances in innovative molecules to treat CTD, with a focus on dodecyl creatine ester, the most promising drug candidate.

Study of Optical Rogue Waves in Two-Dimensional Disordered Lattices

We probed the impact of both the degree of disorder and nonlinearity on rogue waves (RWs) in two-dimensional disordered lattices. Our results unveiled that an increase in the disorder level under linear conditions heightened the probability of RW occurrence and simultaneously contracted the “long tail”. Interestingly, with the introduction of nonlinearity, this “long tail” became shorter compared with linear conditions. Nevertheless, in the context of disordered media, RW occurrence probability demonstrated relative stability—a distinct deviation from its conduct within homogeneous media.

Clinical study on the efficacy of postural control combined with electroacupuncture in treating dysphagia after stroke.

To evaluate the clinical effectiveness of combining postural control with electroacupuncture in the treatment of dysphagia following stroke, with the goal of establishing a solid clinical foundation for this therapeutic approach and investigating potential mechanisms to stimulate additional research and progress in post-stroke dysphagia management. 138 patients who met the diagnostic and inclusion criteria were enrolled and divided into control group and observation group. Both groups received conventional rehabilitation training. Additionally, the control group received swallowing training and diet optimize, while the observation group received swallowing training, diet optimize, posture control as well as electroacupuncture therapy. After four weeks, swallowing function was assessed and compared between the two groups using the Standardized Swallowing Assessment (SSA) score and water swallowing test (WST). Patients who underwent postural control therapy in combination with electroacupuncture demonstrated significantly higher treatment efficacy compared to the control group. Notably, The SSA score and WST score in both groups decreased significantly, and the observation group showed more improvements in aspiration compared to the control group. The integration of posture control, electroacupuncture, and conventional rehabilitation training can effectively lower the degree of post-stroke swallowing disorders, restore swallowing function, and significantly reduce the occurrence of complications such as aspiration, fever, and nutritional disorders. Moreover, this approach significantly improves the quality of life of patients and is more effective than conventional rehabilitation training in treating post-stroke swallowing disorders. https://www.chictr.org.cn/, Identifier ChiCTR2300075870.

Extracting accurate light–matter couplings from disordered polaritons

Abstract The vacuum Rabi splitting (VRS) in molecular polaritons stands as a fundamental measure of collective light–matter coupling. Despite its significance, the impact of molecular disorder on VRS is not fully understood yet. This study delves into the complexities of VRS amidst various distributions and degrees of disorder. Our analysis provides precise analytical expressions for linear absorption, transmission, and reflection spectra, along with a “sum” rule, offering a straightforward protocol for extracting accurate collective light–matter coupling values from experimental data. Importantly, our study cautions against directly translating large VRS to the onset of ultrastrong coupling regime. Furthermore, for rectangular disorder, we witness the emergence of narrow side bands alongside a broad central peak, indicating an extended coherence lifetime even in the presence of substantial disorder. These findings not only enhance our understanding of VRS in disordered molecular systems but also open avenues for achieving prolonged coherence lifetimes between the cavity and molecules via the interplay of collective coupling and disorder.

Obesity in the 21st Century. Prevalence, Phenotypes, Course Variants and Consequences

The review article examines the issues of obesity regarding its prevalence, phenotypes, course and consequences. The anatomical, physiological and functional features of adipose tissue are discussed. The “Discussion” section presents the authors’ own clinical observations on therapeutic and surgical issues in the treatment of obesity. Currently, adipose tissue is divided into white, brown and beige. White and brown adipose tissue can turn into each other through the beige adipose tissue stage. The volume and activity of brown adipose tissue require greater expenditure in the metabolism of oxygen molecules and are more pronounced in women. The components of the extracellular matrix of adipose tissue are collagen types I, III, V, VI. The collagen structure of adipose tissue varies depending on the location, volume and size of fat, age, gender, functional state of the kidneys, thyroid gland, nature of food, energy expenditure and sleep patterns. With intense work and cold exposure, the hormone irisin is formed in skeletal muscles, which promotes the transformation of white adipose tissue into brown or beige, helps reduce body weight in obesity, and has a beneficial effect on the course of type 2 diabetes mellitus and associated diseases. Traditionally, obese individuals are divided into metabolically healthy obesity and metabolically unhealthy obesity based on the degree of metabolic disorders. In visceral fat, lipolysis occurs with high intensity, which supports the development of inflammation. In obesity, decreased expression of adiponectin accelerates the development of atherosclerotic cardiovascular diseases. As body weight increases, visceral adipose tissue acquires an inflammatory phenotype, manifested by increased expression of cytokines (interleukin-6, interleukin-1, interleukin-17, tumor necrosis factor-alpha), hyperactivation of the tissue renin-angiotensin-aldosterone system, as well as excessive cell infiltration immune system (leukocytes, neutrophils, T-lymphocytes, monocytes, macrophages). During inflammation in adipose tissue, inflammatory (M1) and atherogenic (M4) phenotypes of macrophages dominate. In morbid obesity, the number of macrophages in adipose tissue can reach up to 50% of all cells.

TD-graphene: Theoretical prediction of a high-performance anode material for sodium-ion batteries with intrinsic metallicity, high capacity, and fast ion mobility

The utilization of pristine graphene as an anode material in sodium-ion batteries (SIBs) is limited by its inherent chemical inertness toward Na-ions. To address this issue, we propose a two-dimensional carbon allotrope (named as TD-graphene) by assembling tricyclo[4.4.1.11,6]dodecane (C12H20) skeleton. The topological non-hexagonal feature of C12H20 increases the degree of local carbon-ring disorder and introduces additional electron-deficient regions on the surface, thus enhancing the adsorption capability of Na. TD-graphene demonstrates exceptional stability across the energetic, thermodynamic, dynamic, and mechanical aspects. As a promising anode for SIBs, it exhibits an intrinsic metallicity, an ultra-high storage capacity (1487.58 mA h g−1), a low diffusion barrier (0.20 eV), a low average open-circuit voltage (0.33 V), and a small lattice expansion (0.6%). The presence of solvents with high dielectric constants improves the adsorption and migration capability of Na. Furthermore, taking into account the limitation of single-layer materials in practical applications, we employ h-BN as a promising substrate for TD-graphene, which can boost the Na adsorption and diffusion performance. These results render TD-graphene as a promising high-performance anode material for SIBs.

Resolving the tradeoff between energy storage capacity and charge transfer kinetics of sulfur-doped carbon anodes for potassium ion batteries by pre-oxidation-anchored sulfurization

Sulfur-heteroatom doping is an effective approach to improve the capacity of carbon anodes for potassium-ion batteries due to the reversible K+-sulfur reaction. However, the random sulfur doping induces unresolved tradeoff between capacity and kinetics, which results from the fundamental difficulty in controllable sulfur incorporation using traditional approaches where breaking robust carbon-containing bonds is necessary. Herein, a pre-oxidation-anchored sulfurization approach is proposed to realize site-controlled and content-adjustable sulfur doping, demonstrating the optimum sulfur content of 9.8 at.% in sulfur-doped hollow carbon sphere (S-HCS). Intentional pre-oxidation introduces easy-to-break C-O/C-O-C bond-included oxygen-containing functional groups serving as anchoring sites for substitution with sulfur atoms. Consequently, S-HCS-9.8 % achieves superior performance for K+ storage (406.1 mA h g–1 at 0.1 A g–1, 112.6 mA h g–1 at 5 A g–1 and 170 mA h g–1 after 2,000 cycles at 2 A g–1). The enhanced electrochemical performances are attributed to the largest interlayer spacing and highest disorder degree resulting from the thiophene-sulfur-dominated configuration at high sulfur content, which realizes high structure reversibility and stable solid-electrolyte-interface layer. This work provides new insights and guiding principles for the development of heteroatom-doped carbon anodes for next-generation high-performance energy storage applications.

Coupling rate of ordering with degree of disorder: Developing a cation pair model for order-disorder in Li2Ti1-xZrxO3 solid solution

The order-disorder phenomenon of the cation sub-lattice is of substantial interests recently. However, randomness of the disordered local atomic structures poses great challenges for the modeling of ordering at larger size/time scales. In this work, a cation-pair model is developed to simulate the order-disorder of layered Li2TiO3. The configurational order of the lattice is simplified by the number of cation pairs at ordered/disordered state. Simulated x-ray diffraction of lattice models is performed to allow comparison with experimental observations. The configuration dependent activation energy is obtained by the simulated evolution of order-disorder based on density functional total energies. The cation-pair simplification enables fast estimation of ordering by tracking the number of pairs with rate theory. The model successfully reproduces the inhibition of ordering from increasing Zr/Ti in the Li2Ti1-xZrxO3 solid solution. Different stages of order-disorder have distinct features of ordering rates, which is explained by the coupling between ordering rates and degree of disorder. In addition, the model predicts stage-specific equilibrium conditions at various Zr/Ti and temperatures.