Quantitative 1 H nuclear magnetic resonance (qHNMR) methods for accurate purity determination of glucosinolates isolated from Isatis indigotica roots.

INTRODUCTION: Glucosinolates (1-5) are important secondary metabolites found in Isatis indigotica roots. Due to their high hydrophilic and ionic nature, purified glucosinolates often contain salt impurities and moisture. Accurate assessment of their purities is important for glucosinolates being utilised as chemical markers. OBJECTIVE: To develop and validate quantitative proton (1 H) nuclear magnetic resonance (qHNMR) methods for purity assessments of aliphatic and indole glucosinolates (1-5). METHOD: Several NMR parameters such as pulse program, relaxation time, and delay time were optimised. Three qHNMR methods were developed using gluconapin (3), neoglucobrassicin (4), and sinigrin (5) for method validation and with maleic acid as internal standard. RESULTS: The quantification was based on the integrated area ratios of an olefinic proton (H-4 for 1-3; H-6 for 4; and H-3 for 5) of the side chain from glucosinolates relative to the olefinic proton from the internal standard using deuterated water (D2 O) as the solvent. The qHNMR methods were successfully applied for purity assessments of four aliphatic glucosinolates (1-3 and 5: progoitrin, epiprogoitrin, gluconapin, and sinigrin), and an indole glucosinolate (4: neoglucobrassicin). CONCLUSION: The purity of glucosinolates isolated from I. indigotica and commercial sinigrin was accurately assessed using the developed qHNMR method. The qHNMR provides a reliable and superior means to determine the purity of glucosinolates.

Reduced resting-state functional connectivity of default mode network subsystems in patients with obsessive-compulsive disorder.

OBJECTIVES: Neuroimaging studies have reported extensive resting-state functional connectivity (rsFC) abnormalities in the default mode network (DMN) in patients with obsessive-compulsive disorder (OCD), but findings are inconsistent. DMN can be divided into three subsystems: core, dorsal medial prefrontal cortex (dMPFC), and medial temporal lobe (MTL). This study aimed to explore abnormalities in rsFC strength within and between DMN subsystems in OCD patients, and their relationship with clinical symptoms. METHODS: This study recruited 39 OCD patients and 45 healthy controls (HCs). OCD symptoms were assessed using the Yale-Brown Obsessive-Compulsive Scale (YBOCS). The seed-to-seed method was used to construct rsFC matrix. The rsFC strength within and between the three DMN subsystems were calculated. RESULTS: Compared to the HC group, the OCD group exhibited reduced rsFC strength within core subsystem (F = 7.799, p = 0.007, Bonferroni corrected p = 0.042). Further, this reduction was also observed in the unmedicated OCD group (n = 19), but not in the medicated OCD group (n = 18). In addition, rsFC strength within core subsystem was negatively correlated with the obsession subscale of YBOCS in the OCD group (r = -0.512, p = 0.004, Bonferroni corrected p = 0.008). Further, this correlation was also significant in the unmedicated OCD group, but not in the medicated OCD group. CONCLUSIONS: Our findings suggest that reduced rsFC strength within core subsystem is a feature of OCD patients and may serve as a potential biomarker of obsession severity. Moreover, pharmacological treatments may affect rsFC strength in DMN.

Cross-institutional evaluation of deep learning and radiomics models in predicting microvascular invasion in hepatocellular carcinoma: validity, robustness, and ultrasound modality efficacy comparison.

PURPOSE: To conduct a head-to-head comparison between deep learning (DL) and radiomics models across institutions for predicting microvascular invasion (MVI) in hepatocellular carcinoma (HCC) and to investigate the model robustness and generalizability through rigorous internal and external validation. METHODS: This retrospective study included 2304 preoperative images of 576 HCC lesions from two centers, with MVI status determined by postoperative histopathology. We developed DL and radiomics models for predicting the presence of MVI using B-mode ultrasound, contrast-enhanced ultrasound (CEUS) at the arterial, portal, and delayed phases, and a combined modality (B + CEUS). For radiomics, we constructed models with enlarged vs. original regions of interest (ROIs). A cross-validation approach was performed by training models on one center's dataset and validating the other, and vice versa. This allowed assessment of the validity of different ultrasound modalities and the cross-center robustness of the models. The optimal model combined with alpha-fetoprotein (AFP) was also validated. The head-to-head comparison was based on the area under the receiver operating characteristic curve (AUC). RESULTS: Thirteen DL models and 25 radiomics models using different ultrasound modalities were constructed and compared. B + CEUS was the optimal modality for both DL and radiomics models. The DL model achieved AUCs of 0.802-0.818 internally and 0.667-0.688 externally across the two centers, whereas radiomics achieved AUCs of 0.749-0.869 internally and 0.646-0.697 externally. The radiomics models showed overall improvement with enlarged ROIs (P < 0.05 for both CEUS and B + CEUS modalities). The DL models showed good cross-institutional robustness (P > 0.05 for all modalities, 1.6-2.1% differences in AUC for the optimal modality), whereas the radiomics models had relatively limited robustness across the two centers (12% drop-off in AUC for the optimal modality). Adding AFP improved the DL models (P < 0.05 externally) and well maintained the robustness, but did not benefit the radiomics model (P > 0.05). CONCLUSION: Cross-institutional validation indicated that DL demonstrated better robustness than radiomics for preoperative MVI prediction in patients with HCC, representing a promising solution to non-standardized ultrasound examination procedures.

Efficient mercury(II) removal by corn bract/dopamine@ZnS composites.

In this study, we have utilized corn bract, a green agricultural by-product, as a carrier. It is subsequently modified with zinc sulfide to synthesize an efficient composite material termed as corn bract/polydopamine@zinc sulfide (CB/PDA@ZnS). This novel composite demonstrates significant potential for biomass removal of mercury ions (Hg(II)). The composition, structure, and morphology of CB/PDA@ZnS composites are characterized by Fourier transform infrared (FT-IR) spectrum, thermogravimetric analysis (TGA), X-ray powder diffraction (XRD), and scanning electron microscope (SEM). The effect of pH value, adsorbent dosage, initial Hg(II) concentration, adsorption time and temperature, and coexistence ions on the adsorption behavior is investigated. The results show that CB/PDA@ZnS can efficiently remove Hg(II) from water with uptake capacities of 333.03 mg/g and removal efficiency of 99.91% under an optimal conditions (pH of 3, the adsorbent dosage of 0.015 g, contact time of 90 min, and initial concentration of 100 mg/L) at room temperature. The fitting analysis of the experimental data reveals that the adsorption process of Hg(II) follows the quasi-secondary adsorption kinetic model as well as the Langmuir isothermal adsorption model, which is a spontaneous heat absorption process. In addition, the composite adsorbent obtained exhibit excellent selectivity for Hg(II) ions and anti-coexisting ion interference performance. After five cycles of adsorption-desorption experiments, the corresponding adsorption capacity is 331.11 mg/g, accounting for 93.33% of the first adsorption capacity, indicating that the adsorbent has excellent regeneration performance. The stability of the adsorbent and the adsorption mechanism of Hg(II) ion are systematically discussed using FT-IR, XRD, and X-ray photoelectron spectroscopy (XPS). Finally, this adsorbent is tested for the removal of industrial wastewater containing Hg(II), and the adsorption and removal efficiency are 331.67 mg/g and 99.50%, respectively. This study provides a very valuable information for future Hg(II) removal from aqueous solutions.

Uncovering potential distinctive acoustic features of healing music.

Background: Music therapy is a promising complementary intervention for addressing various mental health conditions. Despite evidence of the beneficial effects of music, the acoustic features that make music effective in therapeutic contexts remain elusive. Aims: This study aimed to identify and validate distinctive acoustic features of healing music. Methods: We constructed a healing music dataset (HMD) based on nominations from related professionals and extracted 370 acoustic features. Healing-distinctive acoustic features were identified as those that were (1) independent from genre within the HMD, (2) significantly different from music pieces in a classical music dataset (CMD) and (3) similar to pieces in a five-element music dataset (FEMD). We validated the identified features by comparing jazz pieces in the HMD with a jazz music dataset (JMD). We also examined the emotional properties of the features in a Chinese affective music system (CAMS). Results: The HMD comprised 165 pieces. Among all the acoustic features, 74.59% shared commonalities across genres, and 26.22% significantly differed between the HMD classical pieces and the CMD. The equivalence test showed that the HMD and FEMD did not differ significantly in 9.46% of the features. The potential healing-distinctive acoustic features were identified as the standard deviation of the roughness, mean and period entropy of the third coefficient of the mel-frequency cepstral coefficients. In a three-dimensional space defined by these features, HMD's jazz pieces could be distinguished from those of the JMD. These three features could significantly predict both subjective valence and arousal ratings in the CAMS. Conclusions: The distinctive acoustic features of healing music that have been identified and validated in this study have implications for the development of artificial intelligence models for identifying therapeutic music, particularly in contexts where access to professional expertise may be limited. This study contributes to the growing body of research exploring the potential of digital technologies for healthcare interventions.

Continuous theta burst stimulation over the bilateral supplementary motor area in obsessive-compulsive disorder treatment: A clinical randomized single-blind sham-controlled trial.

BACKGROUND: Obsessive-compulsive disorder (OCD) can cause substantial damage to quality of life. Continuous theta burst stimulation (cTBS) is a promising treatment for OCD patients with the advantages of safety and noninvasiveness. OBJECTIVE: The present study aimed to evaluate the treatment efficacy of cTBS over the bilateral supplementary motor area (SMA) for OCD patients with a single-blind, sham-controlled design. METHODS: Fifty-four OCD patients were randomized to receive active or sham cTBS treatment over the bilateral SMA for 4 weeks (five sessions per week, 20 sessions in total). Patients were assessed at baseline (week 0), the end of treatment (week 4), and follow-up (week 8). Clinical scales included the YBOCS, HAMD24, HAMA14, and OBQ44. Three behavioral tests were also conducted to explore the effect of cTBS on response inhibition and decision-making in OCD patients. RESULTS: The treatment response rates were not significantly different between the two groups at week 4 (active: 23.1% vs. sham: 16.7%, p = 0.571) and week 8 (active: 26.9% vs. sham: 16.7%, p = 0.382). Depression and anxiety improvements were significantly different between the two groups at week 4 (HAMD24: F = 4.644, p = 0.037; HAMA14: F = 5.219, p = 0.028). There was no significant difference between the two groups in the performance of three behavioral tests. The treatment satisfaction and dropout rates were not significantly different between the two groups. CONCLUSIONS: The treatment of cTBS over the bilateral SMA was safe and tolerable, and it could significantly improve the depression and anxiety of OCD patients but was not enough to improve OCD symptoms in this study.

Highly effective removal of Hg(ii) solution using corn bract@MoS2 as a new biomass adsorbent.

As known, mercury contamination is one of the current environmental issues due to the high toxicity of mercury. Corn bract (CB) is an agricultural by-product, and its final treatment is generally incineration that causes air pollution. In this study, a new type of high-efficiency biomass adsorbent (CB@MoS2) for adsorption of Hg(ii) was obtained, and its morphology and structure were characterized with FT-IR, XRD, SEM and TEM. The results showed that when the pH value, Hg(ii) ion concentration and adsorption time were 4, 100 mg L-1 and 120 min, the adsorption capacity and removal rate could reach 332.50 mg g-1 and 99.75%. In addition, CB@MoS2 had a good selectivity for Hg(ii) ions. The adsorption behavior followed pseudo-second-order kinetics, indicating that the adsorption of Hg(ii) ions by CB@MoS2 was a chemical adsorption. After five adsorption-desorption experiments, it still possessed good adsorption performance and effective regeneration. In short, CB@MoS2 has high efficiency and good reusability, and will become a candidate material for the treatment of mercury-containing industrial wastewater.

Ternary Deep Eutectic Solvent (DES) with a Regulated Rate-Determining Step for Efficient Recycling of Lithium Cobalt Oxide.

Deep eutectic solvents (DESs) have attracted extensive research for their potential applications as leaching solvent to recycle valuable metal elements from spent lithium ion batteries (LIBs). Despite various advantages like being economical and green, the full potential of conventional binary DES has not yet been harnessed because of the kinetics during leaching. Herein, we consider the fundamental rate-determining-step (RDS) in conventional binary DES and attempt to design ternary DES, within which the chemical reaction kinetics and diffusion kinetics can be regulated to maximize the overall leaching rate. As a proof of concept, we show that the ternary choline chloride/succinic acid/ethylene glycol (ChCl/SA/EG) type ternary DES can completely dissolve LCO powder at 140 °C in 16 h. By systematically studying the leaching process at various conditions, the energy barrier during leaching can be calculated to be 11.77 kJ/mol. Furthermore, we demonstrate that the extraction of the cobalt ions from the leaching solution can be directly achieved by adding oxalic ions without neutralizing the solution. The precipitate can be used to regenerate LCO with high purity. The recycled materials show comparable electrochemical performance with commercial LCO. Our design strategy of ternary DES with regulated RDS is expected to have both scientific and technological significance in the field of hydrometallurgical recycling of LIBs.