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Herein, we proposed a one-step method to prepare hexagonal prism Zn-MOF using deprotonate BTC and zinc acetate at room temperature. The hexagonal prismatic porous carbon (BTCC) is directly obtained by the carbonization of Zn-MOF without template and further activation process. Moreover, BTCC exhibits excellent electrochemical performance for supercapacitors. [Display omitted] In this paper, a new hexagonal prismatic Zn-MOF is rapidly synthesized at room temperature through a one-step precipitation method as precursor for the preparation of porous carbon. The SEM and GCD tests indicate that the pre-ionization process of BTC greatly accelerates the reaction speed between BTC and Zn ions, and only 0.5 h is required for the preparation of Zn-MOF with orderly morphology at room temperature, far less than 3–24 h of the existing hydrothermal synthesis. The derived porous carbon (BTCC) is provided with a considerable specific surface area of 1,464 m2 g−1 and suitable pores of 3.9 nm in size. Its richly porous structure offers a superior supercapacitor performance. The BTCC electrode offered a high specific capacitance and an excellent cycle stability. Furthermore, the assembled two symmetrical supercapacitors, C|1 M Na 2 SO 4 |C and C|6 M KOH|C, provide high energy density of 22.4 Wh kg−1 and 13.7 Wh kg−1, respectively. Their energy retention rates were 80.0% and 89.4%, respectively after 10,000 cycles at 20 A g−1. The proposed pre-ionization strategy is a facile, convenient and easy-to-industrial method for the preparation of new MOFs, thereby significantly reducing the manufacturing cost of porous carbon for energy storage. [ABSTRACT FROM AUTHOR]

The consequences of antibiotic misuse, leading to the proliferation of drug-resistant bacteria, present a significant challenge to the field of medicine. Natural compounds such as epigallocatechin gallate (EGCG), derived from green tea, exhibit potent anti-tumor and antibacterial properties. However, the adaptability of tumors to chemotherapy due to their acidic pH and elevated levels of glutathione (GSH), coupled with the challenges posed by postoperative drug-resistant bacterial infections, hinders treatment outcomes. This study successfully synthesized a self-assembling nanocomposite, Cu-EGCG. Leveraging chemodynamic therapy (CDT), photothermal therapy (PTT), and photodynamic therapy (PDT), Cu-EGCG demonstrated robust anti-tumor and antibacterial effects. Additionally, Cu-EGCG exhibited excellent photothermal conversion under 808 nm near-infrared (NIR) radiation, generating singlet oxygen (1O 2) upon laser irradiation. In murine tumor and wound models, Cu-EGCG consistently displayed significant anti-tumor and antibacterial efficacy. [Display omitted] Chemotherapy and surgery stand as primary cancer treatments, yet the unique traits of the tumor microenvironment hinder their effectiveness. The natural compound epigallocatechin gallate (EGCG) possesses potent anti-tumor and antibacterial traits. However, the tumor's adaptability to chemotherapy due to its acidic pH and elevated glutathione (GSH) levels, coupled with the challenges posed by drug-resistant bacterial infections post-surgery, impede treatment outcomes. To address these challenges, researchers strive to explore innovative treatment strategies, such as multimodal combination therapy. This study successfully synthesized Cu-EGCG, a metal-polyphenol network, and detailly characterized it by using synchrotron radiation and high-resolution mass spectrometry (HRMS). Through chemodynamic therapy (CDT), photothermal therapy (PTT), and photodynamic therapy (PDT), Cu-EGCG showed robust antitumor and antibacterial effects. Cu+ in Cu-EGCG actively participates in a Fenton-like reaction, generating hydroxyl radicals (·OH) upon exposure to hydrogen peroxide (H 2 O 2) and converting to Cu2+. This Cu2+ interacts with GSH, weakening the oxidative stress response of bacteria and tumor cells. Density functional theory (DFT) calculations verified Cu-EGCG's efficient GSH consumption during its reaction with GSH. Additionally, Cu-EGCG exhibited outstanding photothermal conversion when exposed to 808 nm near-infrared (NIR) radiation and produced singlet oxygen (1O 2) upon laser irradiation. In both mouse tumor and wound models, Cu-EGCG showcased remarkable antitumor and antibacterial properties. [ABSTRACT FROM AUTHOR]

We construct quantum algorithms to compute the solution and/or physical observables of nonlinear ordinary differential equations (ODEs) and nonlinear Hamilton-Jacobi equations (HJE) via linear representations or exact mappings between nonlinear ODEs/HJE and linear partial differential equations (the Liouville equation and the Koopman-von Neumann equation). The connection between the linear representations and the original nonlinear system is established through the Dirac delta function or the level set mechanism. We compare the quantum linear systems algorithms based methods and the quantum simulation methods arising from different numerical approximations, including the finite difference discretisations and the Fourier spectral discretisations for the two different linear representations, with the result showing that the quantum simulation methods usually give the best performance in time complexity. We also propose the Schrödinger framework to solve the Liouville equation for the HJE with the Hamiltonian formulation of classical mechanics, since it can be recast as the semiclassical limit of the Wigner transform of the Schrödinger equation. Comparison between the Schrödinger and the Liouville framework will also be made. • A (and the first) comprehensive study and comparison of time complexities between two linear representations-based quantum algorithms for nonlinear ODEs. • For nonlinear Hamilton-Jacobi PDEs, a Schrödinger approach is introduced and compared with the Liouville approach. • For scalar nonlinear hyperbolic equations, we show the difficulty of using the KvN approach while the Liouville approach still works. [ABSTRACT FROM AUTHOR]

We investigate time complexities of finite difference methods for solving the high-dimensional linear heat equation, the high-dimensional linear hyperbolic equation and the multiscale hyperbolic heat system with quantum algorithms (hence referred to as the "quantum difference methods"). For the heat and linear hyperbolic equations we study the impact of explicit and implicit time discretizations on quantum advantages over the classical difference method. For the multiscale problem, we find the time complexity of both the classical treatment and quantum treatment for the explicit scheme scales as O (1 / ε) , where ε is the scaling parameter, while the scaling for the multiscale Asymptotic-Preserving (AP) schemes does not depend on ε. This indicates that it is still of great importance to develop AP schemes for multiscale problems in quantum computing. • New quantum algorithm is proposed for a prototype multiscale problem. • Asymptotic-preserving schemes are shown to be important in quantum computation. • There is no difference in the cost of the quantum algorithm for the heat equation when using the forward-Euler compared to the Crank-Nicolson scheme. [ABSTRACT FROM AUTHOR]

In this paper, a new n-type confinement layer that uses the stepped and super-lattice structure to replace conventional n-type AlGaN layer of deep ultraviolet light-emitting diode (DUV LED) is investigated. The simulation results indicate that the new structure significantly enhances the light output power (LOP) and internal quantum efficiency (IQE) of DUV LED. This is because the capability of carrier confinement in the quantum wells (QWs) is enhanced; the carrier concentrations and the radiative recombination rate in the active region of DUV LED are improved. • An innovative DUV LED with the stepped and super-lattice n-type confinement layer is proposed. • The innovative DUV LED shows higher overlap of electrons and holes in its active region. • The innovative DUV LED exhibits higher radiative recombination rate in the active region. [ABSTRACT FROM AUTHOR]

This paper explores the feasibility of quantum simulation for partial differential equations (PDEs) with physical boundary or interface conditions. Semi-discretization of such problems does not necessarily yield Hamiltonian dynamics and even alters the Hamiltonian structure of the dynamics when boundary and interface conditions are included. This seemingly intractable issue can be resolved by using a recently introduced Schrödingerisation method [1,2] – it converts any linear PDEs and ODEs with non-Hermitian dynamics to a system of Schrödinger equations, via the so-called warped phase transformation that maps the equation into one higher dimension. We implement this method for several typical problems, including the linear convection equation with inflow boundary conditions and the heat equation with Dirichlet and Neumann boundary conditions. For interface problems we study the (parabolic) Stefan problem, linear convection, and linear Liouville equations with discontinuous and even measure-valued coefficients. We perform numerical experiments to demonstrate the validity of this approach, which helps to bridge the gap between available quantum algorithms and computational models for classical and quantum dynamics with boundary and interface conditions. • The first quantum simulation algorithms for PDEs with physical boundary conditions. • The first quantum simulation algorithms for PDEs incorporating physical interface conditions. • The first quantum algorithm for partial transmission and reflections from geometric optics with interfaces. [ABSTRACT FROM AUTHOR]

• The first study to identify genes associated with voxel-mirrored homotopic connectivity (VMHC) alterations in patients with schizophrenia using the transcription-neuroimaging association analysis approach. • This study determined the biological functions of the identified genes, as well as the cell types, brain regions and developmental stages in which they were enriched. • We also found cognitive processes related to VMHC alterations in schizophrenia. • The findings offer novel insights into the genetic mechanisms of schizophrenia-related VMHC alterations. It has been revealed that abnormal voxel-mirrored homotopic connectivity (VMHC) is present in patients with schizophrenia, yet there are inconsistencies in the relevant findings. Moreover, little is known about their association with brain gene expression profiles. In this study, transcription-neuroimaging association analyses using gene expression data from Allen Human Brain Atlas and case-control VMHC differences from both the discovery (meta-analysis, including 9 studies with a total of 386 patients and 357 controls) and replication (separate group-level comparisons within two datasets, including a total of 258 patients and 287 controls) phases were performed to identify genes associated with VMHC alterations. Enrichment analyses were conducted to characterize the biological functions and specific expression of identified genes, and Neurosynth decoding analysis was performed to examine the correlation between cognitive-related processes and VMHC alterations in schizophrenia. In the discovery and replication phases, patients with schizophrenia exhibited consistent VMHC changes compared to controls, which were correlated with a series of cognitive-related processes; meta-regression analysis revealed that illness duration was negatively correlated with VMHC abnormalities in the cerebellum and postcentral/precentral gyrus. The abnormal VMHC patterns were stably correlated with 1287 genes enriched for fundamental biological processes like regulation of cell communication, nervous system development, and cell communication. In addition, these genes were overexpressed in astrocytes and immune cells, enriched in extensive cortical regions and wide developmental time windows. The present findings may contribute to a more comprehensive understanding of the molecular mechanisms underlying VMHC alterations in patients with schizophrenia. [ABSTRACT FROM AUTHOR]

Given that the spontaneous precipitation of minerals caused by urea hydrolysis and abundant organic compounds, membrane fouling became a major obstacle for urine recovery by membrane distillation (MD). Herein, this study developed a combined system (TAP-MD) by integrating thermally activated peroxydisulfate (TAP) and MD process to inhibit membrane fouling and improve separation efficiency. Based on the TAP-MD system, the separation performance was improved significantly, improving nutrient recovery efficiency and quality of reclaimed water. More than 80% of water could be recovered from urine, and about 94.13% of total ammonia nitrogen (TAN), 99.02% of total nitrogen (TN), 100% of total phosphate (TP), and 100% of K+ were rejected. The mechanism for alleviating urine-induced fouling was systematically and intensively studied. With TAP pretreatment, the TAN concentration of pretreated urine was kept at a low level steadily and the pH was at neutral or weakly acidic. Hence, inorganic scaling represented by carbonate and phosphate precipitates were significantly inhibited by creating unfavorable solvent environment for crystallization with TAP pretreatment. Additionally, aromatic proteins were found as the main organic foulants. According to the secondary structure of protein, the proteins were degraded by the cleavage of peptide bonds by TAP pretreatment. Meanwhile, the hydrophilicity of protein increased, which reduced the hydrophobic interaction of protein and membrane surface and thus alleviated protein-induced membrane fouling. This study revealed the inorganic and organic foulants in urine that caused membrane fouling and demonstrated the mechanism of membrane fouling alleviation by TAP-MD system. The experimental results will be instrumental in better understanding the mechanisms of membrane fouling induced by urine and optimize MD process for resource recovery from urine. [Display omitted] • Thermally activated peroxydisulfate (TAP) pretreatment increased membrane performance. • Nutrient rejection rate was improved significantly by TAP pretreatment. • Carbonate, phosphate minerals and aromatic protein are main foulants in urine. • TAP pretreatment creates unfavorable crystallization conditions to control scaling. • Organics in urine are degraded by TAP pretreatment to alleviate fouling. [ABSTRACT FROM AUTHOR]