Quantum machine learning has made remarkable progress in many important tasks. However, the gate complexity of the initial state preparation is seldom considered in lots of quantum machine learning algorithms, making them non-end-to-end. Herein, we propose a quantum algorithm for the node embedding problem that maps a node graph\'s topological structure to embedding vectors. The resulting quantum embedding state can be used as an input for other quantum machine learning algorithms. With O ( log ( N ) ) qubits to store the information of N nodes, our algorithm will not lose quantum advantage for the subsequent quantum information processing. Moreover, owing to the use of a parameterized quantum circuit with O ( poly ( log ( N ) ) ) depth, the resulting state can serve as an efficient quantum database. In addition, we explored the measurement complexity of the quantum node embedding algorithm, which is the main issue in training parameters, and extended the algorithm to capture high-order neighborhood information between nodes. Finally, we experimentally demonstrated our algorithm on an nuclear magnetic resonance quantum processor to solve a graph model.

Carbon materials are regarded as a promising adsorbent for the adsorption of volatile organic compounds (VOCs). However, their adsorption behaviors are usually compromised at ambient conditions, attributed to the competitive VOCs adsorption with water vapor. In this study, we demonstrated that the selectivity for toluene than water of carbon can be effectively enhanced by introducing more sp2-carbon with two-dimensional nanosheets stacked. The multilayer carbon nanosheets enriched with sp2-carbon (CNS-MCA) exhibit a 151° H2O-contact angle, indicating hydrophobicity. Dynamic adsorption behaviors revealed that CNS-MCA retain 71% of their toluene adsorption capacity (91 mg/g) even at 60% relative humidity. Density functional theory (DFT) calculations, static adsorption studies, in situ Raman spectroscopy, and time-resolved in situ nuclear magnetic resonance (NMR) spectroscopy collectively indicate that toluene exhibits enhanced adsorption and selectivity due to π-π* interactions between its aromatic rings and the sp2-carbon. Conversely, water adsorption is attenuated, attributed to the reduced availability of surface-exposed hydrogen bonds associated with sp2-carbon and the inherent hydrophobic nature of multilayer graphene. This study extends a novel solution for the enhancement of VOCs adsorption under humid conditions.

The mobilization and redistribution of organic contaminants in groundwater is the basis and key to explore its dynamic evolution and appropriate remediation. The naturally occurring diametrical temperature gradient during freezing and thawing cycle leads to distinct behaviors of organic contaminants in groundwater. In this study, the pore-scale distribution of diesel oil in the porous media was quantitatively divided into capillary fluid state (CFS) and free fluid state (FFS) based on multiphase flow dynamics, employing low-field nuclear magnetic resonance (LF-NMR) technology. The pore-scale distribution of diesel oil depends not only on the freezing and thawing cycle but also on the temperature gradient according to LF-NMR results. The content of diesel oil in the CFS generally increases with a positive temperature gradient (e.g. freezing) compared to a negative temperature gradient (e.g. thawing), while the content of diesel oil in the FFS generally decreases. This dependence of the temperature gradient on pore-scale distribution of the diesel oil is positively correlated with the particle size of the porous medium. Furthermore, the pore-scale distribution of the diesel oil during the freezing and thawing cycle is influenced by the kinematic viscosity of the diesel oil. There is an exponential relationship between the diesel oil content and the kinematic viscosity, independent of the freezing or thawing process. During the freezing process, the diesel oil migrates from FFS to CFS, while this migration is reversed during the thawing process. The reverse migration of the diesel oil between the freezing and thawing processes leads to a spatial redistribution of the diesel oil, which is controlled by both the fluid energy and the capillary force. The present work provide meaningful guidance for the remediation of groundwater contamination in cold regions.

In the design of ultrahigh field nuclear magnetic resonance (NMR) superconducting magnets, it typically requires a high homogeneous magnetic field in the diameter of spherical volume (DSV) to obtain high spectrum resolution. However, shimming technique presents challenges due to the magnet bore space limitations, as accurate measurement of magnetic field distribution is very difficult, especially for customized micro-bore magnets. In this study, we introduced an active shimming method that utilized iterative adjustment of shim coil currents to improve the magnetic field homogeneity based on the full width at half maximum (FWHM) of the spectrum. The proposed method can determine the optimal set of currents for shim coils, effectively enhancing spatial field homogeneity by converging the FWHM. Experimental validation on a 25 T NMR superconducting magnet demonstrated the efficacy of the proposed method. Specifically, the active shimming method improved the field homogeneity of a 10 mm DSV from 7.09 ppm to 2.27 ppm with only four shim coils, providing a superior magnetic field environment for solid NMR and further magnetic resonance imaging (MRI) experiment. Furthermore, the proposed method can be promoted to more customized micro-bore magnets that require high magnetic field homogeneity.

To enhance the stability and light resistance of the yellow compounds in citrus pomace, our study successfully isolated and purified five compounds using ultrasonic-assisted extraction and column chromatography. The identified compounds include methyl linoleate, (2-ethyl)hexyl phthalate, 1,3-distearoyl-2-oleoylglycerol, 6,6-ditetradecyl-6,7-dihydroxazepin-2(3H)-one, and n-octadeca-17-enoic acid. The monomers extracted from fresh pomace, compounds 1 and 2, exhibit structural similarities to flavonoids and carotenoids. In contrast, the polymers isolated from fermented pomace, compounds 3, 4, and 5, share structural units with the fresh pomace compounds, indicating the transformation to stable polymeric forms. This suggests that the microbial fermentation process not only enhances the value of citrus pomace, but also provides a promising pathway for the synthesis of natural antioxidant yellow pigments with far-reaching theoretical and practical significance.

Apple flesh tends to turn mealy and textural deterioration commonly occurs during storage. The comparative investigation of three sub-fractions separated from sodium carbonate-soluble pectin (SSP) of \'Hongjiangjun\' apples between crisp and mealy stages was performed to unveil the textural alterations related to mealiness. In situ immunofluorescence labelling showed that galactans declined in parenchyma cell walls during the fruit mealiness. FTIR analysis, monosaccharide compositions and structural polymers configurated that loss of rhammogalacturonan-I (RG-I) from SSP sub-fragments (SC0.0-P and S-M0.0-P) might be closely involved in the mealiness. The NMR spectroscopy revealed that loss of the substituted galactans from α-Rhap residues repeat unit in SC0.0-P constituting RG-I in crisp stage that subsequently converted to S-M0.0-P in mealy stage might be closely associated with the modifications of pectin in cell walls during mealiness. These findings provided novel evidence for understanding the underlying modifications of SSP polymers during the mealiness of \'Hongjiangjun\' apples.

OBJECTIVE: This study aimed to reveal the anti-fibrotic effects of Botrychium ternatum (Thunb.) Sw. (BT) against idiopathic pulmonary fibrosis (IPF) and to preliminarily analyze its potential mechanism on bleomycin-induced IPF rats.
METHODS: The inhibition of fibrosis progression in vivo was assessed by histopathology combined with biochemical indicators. In addition, the metabolic regulatory mechanism was investigated using 1H-nuclear magnetic resonance-based metabolomics combined with multivariate statistical analysis.
RESULTS: Firstly, biochemical analysis revealed that BT notably suppressed the expression of hydroxyproline and transforming growth factor-β1 in the pulmonary tissue. Secondly, Masson\'s trichrome staining and hematoxylin and eosin showed that BT substantially improved the structure of the damaged lung and significantly inhibited the proliferation of collagen fibers and the deposition of extracellular matrix. Finally, serum metabolomic analysis suggested that BT may exert anti-fibrotic effects by synergistically regulating tyrosine metabolism; phenylalanine, tyrosine and tryptophan biosynthesis; and synthesis and degradation of ketone bodies.
CONCLUSIONS: Our study not only clarifies the potential anti-fibrotic mechanism of BT against IPF at the metabolic level but also provides a theoretical basis for developing BT as an effective anti-fibrotic agent.

BACKGROUND: Comprehensive blood lipoprotein profiles and their association with incident coronary heart disease (CHD) among racially and geographically diverse populations remain understudied.
RESULTS: We conducted nested case-control studies of CHD among 3438 individuals (1719 pairs), including 1084 White Americans (542 pairs), 1244 Black Americans (622 pairs), and 1110 Chinese adults (555 pairs). We examined 36 plasma lipids, lipoproteins, and apolipoproteins, measured by nuclear magnetic resonance spectroscopy, with incident CHD among all participants and subgroups by demographics, lifestyle, and metabolic health status using conditional or unconditional logistic regression adjusted for potential confounders. Conventionally measured blood lipids, that is, total cholesterol, triglycerides, low-density lipoprotein-cholesterol, and high-density lipoprotein-cholesterol, were each associated with incident CHD, with odds ratios (ORs) being 1.33, 1.32, 1.24, and 0.79 per 1-SD increase among all participants. Seventeen lipoprotein biomarkers showed numerically stronger associations than conventional lipids, with ORs per 1-SD among all participants ranging from 1.35 to 1.57 and a negative OR of 0.78 (all false discovery rate <0.05), including apolipoprotein B100 to apolipoprotein A1 ratio (OR, 1.57 [95% CI, 1.45-1.7]), low-density lipoprotein-triglycerides (OR, 1.55 [95% CI, 1.43-1.69]), and apolipoprotein B (OR, 1.49 [95% CI, 1.37-1.62]). All these associations were significant and consistent across racial groups and other subgroups defined by age, sex, smoking, obesity, and metabolic health status, including individuals with normal levels of conventionally measured lipids.
CONCLUSIONS: Our study highlighted several lipoprotein biomarkers, including apolipoprotein B/ apolipoprotein A1 ratio, apolipoprotein B, and low-density lipoprotein-triglycerides, strongly and consistently associated with incident CHD. Our results suggest that comprehensive lipoprotein measures may complement the standard lipid panel to inform CHD risk among diverse populations.

As the most malignant tumor, the prognosis of pancreatic cancer is not ideal even in the small number of patients who can undergo radical surgery. As a highly heterogeneous tumor, chemotherapy resistance is a major factor leading to decreased efficacy and postoperative recurrence of pancreatic cancer. In this study, nuclear magnetic resonance (NMR)-based metabolomics was applied to identify serum metabolic characteristics of pancreatic ductal adenocarcinoma (PDAC) and screen the potential biomarkers for its diagnosis. Metabolic changes of patients with different CA19-9 levels during postoperative chemotherapy were also monitored and compared to identify the differential metabolites that may affect the efficacy of chemotherapy. Finally, 19 potential serum biomarkers were screened to serve the diagnosis of PDAC, and significant metabolic differences between the two CA19-9 stratifications of PDAC were involved in energy metabolism, lipid metabolism, amino acid metabolism, and citric acid metabolism. Enrichment analysis of metabolic pathways revealed six shared pathways by PDAC and chemotherapy such as alanine, aspartate and glutamate metabolism, arginine biosynthesis, glutamine and glutamate metabolism, citrate cycle, pyruvate metabolism, and glycogolysis/gluconeogeneis. The similarity between the metabolic characteristics of PDAC and the metabolic responses to chemotherapy provided a reference for clinical prediction of benefits of postoperative chemotherapy in PDAC patients.

Rock fracture is a macroscopic fracturing process resulting from the initiation and propagation of microscopic cracks. Therefore, it is crucial to comprehend the damage and fracture mechanism of rock under ultrasonic vibration by investigating the evolutionary pattern of the meso-pore fracture structure in response to high-frequency vibrational loads, as explored in this study. Standard red sandstone samples with a diameter of 50 mm and height of 100 mm were subjected to ultrasonic high-frequency vibration tests. NMR and CT scans were conducted on the rock samples at different stages of ultrasonic vibration excitation to obtain the corresponding transverse relaxation time (T2) spectra and CT scan images for each layer. The NMR test results revealed that smaller pores formed within the rock under high-frequency vibration loads, with a noticeable expansion observed in micropores. Three-dimensional reconstruction analysis based on two-dimensional CT images demonstrated an increase in pore count by 145.56%, 122.67%, and 98.87%, respectively, for the upper, middle, and lower parts of the rock after 120 s of ultrasonic vibration excitation; furthermore, the maximum pore volume increased by 239.42%, 109.16%, and 18.99%, respectively, for these regions during this period as well. These findings contribute towards a deeper understanding regarding the mechanisms underlying rock fragmentation when exposed to high-frequency vibrational loads.