TiO2/MXene-Assisted LDI-MS for Urine Metabolic Profiling in Urinary Disease

Cancer remains an intractable medical problem. Rapid diagnosis and identification of cancer are critical to differentiate it from nonmalignant diseases. High-throughput biofluid metabolic analysis has potential for cancer diagnosis. Nevertheless, the present metabolite analysis method does not meet the demand for high-throughput screening of diseases. Herein, a high-throughput, cost-effective, and noninvasive urine metabolic profiling method based on TiO₂/MXene-assisted laser desorption/ionization mass spectrometry (LDI-MS) is presented for the efficient screening of bladder cancer (BC) and nonmalignant urinary disease. Combined with machine learning, TiO₂/MXene-assisted LDI-MS enables high diagnostic accuracy (96.8%) for the classification of patient groups (including 47 BC and 46 ureteral calculus (UC) patients) from healthy controls (113 cases). In addition, BC patients can also be identified from noncancerous UC individuals with an accuracy of 88.3% in the independent test cohort. Furthermore, metabolite variations between BC and UC individuals are investigated based on relative quantification, and related pathways are also discussed. These results suggest that this method, based on urine metabolic patterns, provides a potential tool for rapidly distinguishing urinary diseases and it may pave the way for precision medicine.     

Mo-Modified ZnIn2S4@NiTiO3 S-Scheme Heterojunction with Enhanced Interfacial Electric Field for Efficient Visible-Light-Driven Hydrogen Evolution

Designing and developing visible-light-responsive materials for solar to chemical energy is an efficient and promising approach to green and sustainable carbon-neutral energy systems. Herein, a facile in situ growth hydrothermal strategy using Mo-modified ZnIn₂S₄ (Mo-ZIS) nanosheets coupled with NiTiO₃ (NTO) microrods to synthesize multifunctional Mo-modified ZIS wrapped NTO microrods (Mo-ZIS@NTO) photocatalyst with enhanced interfacial electric field (IEF) effect and typical S-scheme heterojunction is reported. Mo-ZIS@NTO catalyst possesses wide-spectrum light absorption properties, excellent visible light-to-thermal energy effect, electron mobility, charges transfer, and strong IEF and exhibits excellent solar-to-chemical energy conversion for efficient visible-light-driven photocatalytic hydrogen evolution. Notably, the engineered Mo_1.4-ZIS@NTO catalyst exhibits superior performance with H₂ evolution rate of up to 14.06 mmol g⁻¹ h^{− 1} and the apparent quantum efficiency of 44.1% at 420 nm. The scientific explorations provide an in-depth understanding of microstructure, S-scheme heterojunction, enhanced IEF, Mo-dopant facilitation effect. Moreover, the theoretical simulations verify the critical role of Mo element in promoting the adsorption and activation of H₂O molecules, modulating the H adsorption behavior on active S sites, and thus accelerating the overall catalytic efficiency. The photocatalytic hydrogen evolution mechanism via S-scheme heterojunction with adjustable IEF regulation over Mo_1.4-ZIS@NTO is also demonstrated.     

富有机质页岩中不同矿物的解吸规律

四川盆地龙马溪组页岩气开发已由地质勘探转变为开发建产阶段,研究页岩中甲烷的解吸规律对于把握页岩气产出规律、正确评价页岩气可采储量有着重要意义。为了研究页岩中不同矿物的解吸特征及其对页岩气解吸的贡献,对龙马溪组页岩、蒙脱石、高岭石、伊利石、绿泥石、Ⅱ型干酪根及石英样品开展了60℃下高压甲烷等温吸附/解吸实验。在此基础上,定量分析了页岩、黏土矿物、石英及Ⅱ型干酪根的解吸迟滞现象,并计算了黏土矿物、Ⅱ型干酪根及石英中甲烷解吸效率曲线,研究了不同矿物之间解吸规律的差异性。研究结果表明,甲烷在干酪根、黏土矿物样品中的解吸过程表现出明显的解吸滞后现象,且不同黏土矿物样品的解吸滞后程度存在较明显的差异;干酪根的解吸迟滞系数最大,达到43.67%,不同类型黏土矿物的解吸迟滞系数不同,其大小顺序为蒙脱石>高岭石>绿泥石>伊利石;随着压力降低,页岩岩样、黏土矿物、干酪根和石英的解吸效率都呈增大的趋势,且干酪根、黏土矿物、页岩的甲烷解吸效率曲线都呈现出明显的阶段性。     

乙二胺在沸石分子筛上的TPD研究

以程序升温脱附(TPD)为主要试验手段,对乙二胺在5种不同沸石分子筛上的吸附、脱附行为进行了研究。结果表明,沸石分子筛对乙二胺有着较强的吸附作用,但不同的沸石分子筛对乙二胺的吸附能力受其结构和表面酸性特征的影响而有所不同;适用于交联条件的有效吸附部位为一与沸石分子筛表面酸性有关的弱化学吸附位;乙二胺从不同沸石分子筛表面脱附的动力学与晶内扩散有关,其表观脱附活化能分别为:69.9kJ/mol(5A)、78.3kJ/mol(13X)、22.4kJ/mol(菱沸石)、37.5kJ/m0l(NaY)、44.7kJ/mol(ZSM-5)。     

Mathematical modelling of moisture desorption in a porous medium

This paper discusses heat and mass transfer in desorption drying. A basic equation system is derived to describe coupled heat and mass transfer in a porous medium with moisture desorption under temperature gradients and a vacuum environment. The desorption mushy zone model is used to obtain an exact solution for coupled heat and mass transfer with a moving desorption mushy zone in a porous half-space. The results are analysed numerically to demonstrate the effects of various parameters on desorption.     

菱铁矿对砷的吸附解析特性试验研究

砷污染是地下水污染中的严重威胁之一。菱铁矿是砷吸附材料的一种,碳酸亚铁是菱铁矿中的主要成分之一。文章将菱铁矿与Fe2O3作对照,分别进行了静态试验和动态试验,初步探究了时间、温度、pH对砷在菱铁矿中的吸附解析行为的影响。结果表明,Fe2O3的吸附明显比菱铁矿好;pH在2到11范围内变化时,菱铁矿对砷的吸附曲线成M形;温度在20℃到40℃范围内变化时,菱铁矿对砷的吸附没有明显的变化;随着时间的变化,在前8个小时内,菱铁矿对砷的吸附速度较快,8小时之后,吸附曲线趋于平缓,说明最佳吸附时间是8小时。在解析实验中,在0.01 mol/L到0.5 mol/L范围内,随着NaOH浓度的增大,砷的解析率逐渐增大,其中在0.5 mol/L的时候达到最大,为50%。     

煤层气损失气含量及其影响因素分析

为验证现行煤层气损失气含量估算结果的准确性,选取铜川地区1~3 mm,30~50 mm,φ89 mm柱样和柳林地区30~50 mm粒级的煤样进行了煤层气损失气含量模拟试验,模拟绳索取芯,包括钻孔提芯、地面暴露和解吸罐中3个阶段的全过程,实测了煤层气损失量和解吸量,并与美国矿业局直接法作了对比分析。试验结果表明:实测的煤层气损失气含量为采用美国矿业局直接法估算值的2.79~16.49倍,且煤的粒级和煤阶对煤层气损失量有着显著影响;同等条件下,对于铜川三种粒级煤样1~3 mm,30~50 mm和柱样,其损失率(损失量占总含气量的比例)分别为75%,49%和26%;相同粒级,低变质铜川1-2煤的损失气量为中变质柳林1-2煤的1.67倍,且粒级的影响显著于煤阶的影响。     

环己烷在碘吸附器活性炭床上的解吸行为研究

对环己烷气体在碘吸附器用浸渍活性炭上的动态解吸行为进行了实验研究。考察了不同的载气温度、相对湿度、流速、炭床厚度以及进气中环己烷浓度对环己烷在活性炭床上解吸行为的影响,为环己烷试验方法在碘吸附器现场泄漏率试验的研究及推广提供了一定的理论支撑。试验结果表明:(1)在40 ℃,30%相对湿度条件下环己烷在活性炭床上可滞留约500 min,增大气流温度、湿度、浓度和载气流速可以减少滞留时间,其中温度对滞留时间的影响最为显著。(2)在气流相对湿度为80%时,浓度为100 ppm(10^-6)的环己烷在活性炭床上的滞留时间仍达到90 min,这有利于高湿度条件下进行碘吸附器泄漏率试验。     

Novel Design of Neuropeptide-Based Drugs with β-Sheet Breaking Potential in Amyloid-Beta Cascade: Molecular and Structural Deciphers

Our work discusses the investigation of 75 peptide-based drugs with the potential ability to break the β-sheet structures of amyloid-beta peptides from senile plaques. Hence, this study offers a unique insight into the design of neuropeptide-based drugs with β-sheet breaker potential in the amyloid-beta cascade for Alzheimer’s disease (AD). We started with five peptides (¹⁵QKLVFF²⁰, ¹⁶KLVFF²⁰, ¹⁷LVFF²⁰, ¹⁶KLVF¹⁹ and ¹⁵QKLV¹⁸), to which 14 different organic acids were attached at the N-terminal. It was necessary to evaluate the physiochemical features of these sequences due to the biological correlation with our proposal. Hence, the preliminary analysis of different pharmacological features provided the necessary data to select the peptides with the best biocompatibility for administration purposes. Our approaches demonstrated that the peptides ¹⁷LVFF²⁰, NA-¹⁷LVFF²⁰, ¹⁶KLVF¹⁹ and NA-¹⁶KLVF¹⁹ (NA-nicotinic acid) have the ability to interfere with fibril formation and hence improve the neuro and cognitive functions. Moreover, the peptide conjugate NA-¹⁶KLVF¹⁹ possesses attractive pharmacological properties, demonstrated by in silico and in vitro studies. Tandem mass spectrometry showed no fragmentation for the spectra of ¹⁶KLVF¹⁹. Such important results suggest that under the action of protease, the peptide cleavage does not occur at all. Additionally, circular dichroism confirmed docking simulations and showed that NA-¹⁶KLVF¹⁹ may improve the β-sheet breaker mechanism, and thus the entanglement process of amyloid-beta peptides can be more effective.