Multiple sclerosis clinical forms classification with graph convolutional networks based on brain morphological connectivity.

Multiple Sclerosis (MS) is an autoimmune disease that combines chronic inflammatory and neurodegenerative processes underlying different clinical forms of evolution, such as relapsing-remitting, secondary progressive, or primary progressive MS. This identification is usually performed by clinical evaluation at the diagnosis or during the course of the disease for the secondary progressive phase. In parallel, magnetic resonance imaging (MRI) analysis is a mandatory diagnostic complement.

A Computational Study of Isopropyl Alcohol Adsorption and Diffusion in UiO-66 Metal-Organic Framework: The Role of Missing Linker Defect.

Defect engineering leads to an effective manipulation of the physical and chemical properties of metal-organic frameworks (MOFs). Taking the common missing linker defect as an example, the defective MOF generally possesses larger pores and a greater surface area/volume ratio, both of which favor an increased amount of adsorption. When it comes to the self-diffusion of adsorbates in MOFs, however, the missing linker is a double-edged sword: the unsaturated metal sites, due to missing linkers, could interact more strongly with adsorbates and result in a slower self-diffusion.

In Situ Nuclear Magnetic Resonance Investigation of Molecular Adsorption and Kinetics in Metal-Organic Framework UiO-66.

Thermodynamic and kinetic properties of molecular adsorption and transport in metal-organic frameworks (MOFs) are crucially important for many applications, including gas adsorption, filtration, and remediation of harmful chemicals. Using the in situ H nuclear magnetic resonance (NMR) isotherm technique, we measured macroscopic thermodynamic and kinetic properties such as isotherms and rates of mass transfer while simultaneously obtaining microscopic information revealed by adsorbed molecules via NMR. Upon investigating isopropyl alcohol adsorption in MOF UiO-66 by in situ NMR, we obtained separate isotherms for molecules adsorbed at distinct environments exhibiting distinct NMR characteristics.

First-Order Liquid-Liquid Transition without Density Discontinuity in Molten Sodium Acetate Trihydrate and Its Influence on Crystallization.

Liquid-liquid transition (LLT) refers to the phase transition among thermodynamically distinct liquid states with identical composition in analogy to the polymorphic transition in solid. The growing awareness of its significance to understanding the nature of liquid also provokes curiosity about its potential impact on crystallization. Here, we report a first-order liquid-liquid transition above liquidus temperature in the melt of sodium acetate trihydrate using nuclear magnetic resonance, differential scanning calorimetry, and high-precision density measurements, which show negligible change in density associated with the observed LLT.

New P2-Type Honeycomb-Layered Sodium-Ion Conductor: NaMgTeO.

A novel solid sodium-ion conductor, NaMgTeO (NMTO) with a P2-type honeycomb-layered structure, has been synthesized for the first time by a simple solid-state synthetic route. The conductor of NMTO exhibits high conductivity of 2.3 × 10 S cm at room temperature (RT) and a large electrochemical window of ∼4.

A P2-Type Layered Superionic Conductor Ga-Doped Na Zn TeO for All-Solid-State Sodium-Ion Batteries.

Here, a P2-type layered Na Zn TeO (NZTO) is reported with a high Na ion conductivity ≈0.6×10  S cm at room temperature (RT), which is comparable to the currently best Na Zr Si P O NASICON structure. As small amounts of Ga substitutes for Zn , more Na vacancies are introduced in the interlayer gaps, which greatly reduces strong Na -Na coulomb interactions.

One-pot method to prepare a theranostic nanosystem with magnetic resonance imaging function and anticancer activity through multiple mechanisms.

A facile and robust one-pot approach to prepare a theranostic nanoplatform, based on chelation between Gd and hypericin photosensitizer (PS) and their controlled in situ hydrolysis precipitation, was developed. In this strategy, PS drugs and Gd were directly used as building blocks to construct theranostic nanoparticles, resulting in a greatly increased active substance-loading efficiency and ensuring their theranostic effect. The resulting nanoparticles have multifunction capabilities for nuclear magnetic resonance (NMR) imaging and anticancer activity through adenosine triphosphate (ATP) deprivation and heavy atom effect (HAE)-improved photodynamic therapy (PDT) mechanisms.

Gallium-Doped LiLaZrO Garnet-Type Electrolytes with High Lithium-Ion Conductivity.

Owing to their high conductivity, crystalline LiGaLaZrO garnets are promising electrolytes for all-solid-state lithium-ion batteries. Herein, the influence of Ga doping on the phase, lithium-ion distribution, and conductivity of LiGaLaZrO garnets is investigated, with the determined concentration and mobility of lithium ions shedding light on the origin of the high conductivity of LiGaLaZrO. When the Ga concentration exceeds 0.

Monomer zinc phthalocyanine/upconversion nanoparticle coated with hyaluronic acid crosslinked gel as NIR light-activated drug for in vitro photodynamic therapy.

Carboxyl group modified zinc phthalocyanines (ZnPc) are classic and widely used photosensitizers (PSs) in upconversion nanoparticles (UCNPs) mediated photodynamic therapy (PDT) for tumor treatment. To improve the PDT activity of the complex system of ZnPc and UCNPs, many UCNPs with high red emission intensity were design and prepared. ZnPc-(COOH) tends to aggregate both in water and under physiological conditions, which can sharply decrease its PDT activity.

Drug delivery function of carboxymethyl-β-cyclodextrin modified upconversion nanoparticles for adamantine phthalocyanine and their NIR-triggered cancer treatment.

Near-infrared (NIR) light triggered photodynamic therapy (PDT), based on upconversion nanoparticles (UCNPs), has attracted great attention because of its high tissue penetration and low photodamage to living organisms. However, most UCNPs cannot be stably dispersed in aqueous solution and cannot carry photosensitive drugs directly. Besides, UCNP mediated PDT is a fluorescence resonance energy transfer (FRET) process from the UCNPs to the attached photosensitive drugs.