1.Unveiling the metabolic fate of drugs through metabolic reaction-based molecular networking.
Haodong ZHU ; Xupeng TONG ; Qi WANG ; Aijing LI ; Zubao WU ; Qiqi WANG ; Pei LIN ; Xinsheng YAO ; Liufang HU ; Liangliang HE ; Zhihong YAO
Acta Pharmaceutica Sinica B 2025;15(6):3210-3225
Effective annotation of in vivo drug metabolites using liquid chromatography-mass spectrometry (LC-MS) remains a formidable challenge. Herein, a metabolic reaction-based molecular networking (MRMN) strategy is introduced, which enables the "one-pot" discovery of prototype drugs and their metabolites. MRMN constructs networks by matching metabolic reactions and evaluating MS2 spectral similarity, incorporating innovations and improvements in feature degradation of MS2 spectra, exclusion of endogenous interference, and recognition of redundant nodes. A minimum 75% correlation between structural similarity and MS2 similarity of neighboring metabolites was ensured, mitigating false negatives due to spectral feature degradation. At least 79% of nodes, 49% of edges, and 97% of subnetworks were reduced by an exclusion strategy of endogenous ions compared to the Global Natural Products Social Molecular Networking (GNPS) platform. Furthermore, an approach of redundant ions identification was refined, achieving a 10%-40% recognition rate across different samples. The effectiveness of MRMN was validated through a single compound, plant extract, and mixtures of multiple plant extracts. Notably, MRMN is freely accessible online at https://yaolab.network, broadening its applications.
2.A simple sonographic approach to thoracic transforaminal epidural injections for zoster-associated pain involving multiple nerves: an exploratory prospective cohort study
Shuyue ZHENG ; Dan WANG ; Li YUE ; Liangliang HE
Korean Journal of Anesthesiology 2025;78(3):236-247
Background:
A simple superoposterior approach to thoracic transforaminal epidural injections (TFEIs) under ultrasonographic guidance was proposed to reduce zoster-associated pain (ZAP) involving multiple thoracic nerves and the likelihood of transitioning to postherpetic neuralgia (PHN).
Methods:
Patients were prospectively enrolled. Primary endpoints were the burden of illness (BOI) scores and epidural contrast spread. Secondary endpoints included number of needle insertion attempts, sensory blockade, hemodynamic changes, procedure time, radiation dose, adverse events, rescue analgesics, PHN incidence and EuroQoL 5-Dimension scores.
Results:
Thirty-five injections were performed in 27 patients. Median levels of cephalad-caudad epidural contrast spread were 3, 4, and 5 ml following injections of 2, 3, and 4 ml. Dorsal epidural spread was observed at levels 3, 4, and 5, whereas concurrent ventral spread was observed at levels 2, 3, and 4. BOI scores at 30–180 days significantly decreased (mean difference: −25.3, 95% CI [−57.4 to 6.6], P = 0.005), accounting for reduced rescue analgesic requirements and PHN occurrence and improved EuroQoL 5-Dimension scores. Median sensory blockade at 5 min post-procedure was at level 2, 3, and 4 after 2, 3, and 4 ml of therapeutic injectate. No significant hemodynamic changes were noted at 15 min post-injection. No serious adverse events were observed.
Conclusions
Spread of thoracic epidural contrast to all involved nerves was confirmed using this novel technique. Simplified needle placement reduced the technical difficulty and risk of complications. It might be a promising alternative approach for ZAP.
3.A simple sonographic approach to thoracic transforaminal epidural injections for zoster-associated pain involving multiple nerves: an exploratory prospective cohort study
Shuyue ZHENG ; Dan WANG ; Li YUE ; Liangliang HE
Korean Journal of Anesthesiology 2025;78(3):236-247
Background:
A simple superoposterior approach to thoracic transforaminal epidural injections (TFEIs) under ultrasonographic guidance was proposed to reduce zoster-associated pain (ZAP) involving multiple thoracic nerves and the likelihood of transitioning to postherpetic neuralgia (PHN).
Methods:
Patients were prospectively enrolled. Primary endpoints were the burden of illness (BOI) scores and epidural contrast spread. Secondary endpoints included number of needle insertion attempts, sensory blockade, hemodynamic changes, procedure time, radiation dose, adverse events, rescue analgesics, PHN incidence and EuroQoL 5-Dimension scores.
Results:
Thirty-five injections were performed in 27 patients. Median levels of cephalad-caudad epidural contrast spread were 3, 4, and 5 ml following injections of 2, 3, and 4 ml. Dorsal epidural spread was observed at levels 3, 4, and 5, whereas concurrent ventral spread was observed at levels 2, 3, and 4. BOI scores at 30–180 days significantly decreased (mean difference: −25.3, 95% CI [−57.4 to 6.6], P = 0.005), accounting for reduced rescue analgesic requirements and PHN occurrence and improved EuroQoL 5-Dimension scores. Median sensory blockade at 5 min post-procedure was at level 2, 3, and 4 after 2, 3, and 4 ml of therapeutic injectate. No significant hemodynamic changes were noted at 15 min post-injection. No serious adverse events were observed.
Conclusions
Spread of thoracic epidural contrast to all involved nerves was confirmed using this novel technique. Simplified needle placement reduced the technical difficulty and risk of complications. It might be a promising alternative approach for ZAP.
4.Impact factors of vascular heat sink effect during in vitro microwave ablation of porcine lung
Zenan CHEN ; Zhongliang ZHANG ; Sibin WANG ; Xinyuan GUO ; Jing ZHANG ; Xiaobo ZHANG ; Xiaofeng HE ; Liangliang MENG ; Xin ZHANG ; Yingtian WEI ; Yueyong XIAO ; Qun NAN ; Xiao ZHANG
Chinese Journal of Medical Imaging Technology 2025;41(3):383-388
Objective To observe the impact factors of vascular heat sink effect during in vitro microwave ablation(MWA)of porcine lung.Methods Simulation models were established using in vitro porcine lung tissue blocks based on isobaric inflation with an air pump and cyclic perfusion of duck blood with a glass tube and peristaltic pump,etc.MWA was performed under 8 different combining conditions(vessel diameter of 3 or 5 mm,blood perfusion of 30 or 50 cm/s,as well as distance between vessel and ablation antenna of 5 or 10 mm)each for 3 times.The highest temperature TV on vessel side and TC on control side during MWA,and ablation depth DV on vessel side and DC on control side after MWA were recorded.Multi-factor linear regression equations were constructed based on simulated vessel diameters,blood perfusion and distance between vessel and ablation antenna,and the impact factors of|TC-TV|and|DC-DV|were screened,respectively.Results Simulated vessel diameter showed linear positive correlation with both|TC-TV|and|DC-DV|(both P<0.001).Simulated distance between vessel and ablation antenna showed linear negative correlation with both|TC-TV|and|DC-DV|(both P<0.001),and the latter had more obvious impact on vascular heat sink effect than the former.Meanwhile,no significant linear relationship was found between simulated blood perfusion and|TC-TV|nor|DC-DV|(both P>0.05).Conclusion Simulated vessel diameter and distance between vessel and ablation antenna were both impact factors of vascular heat sink effect during in vitro MWA of porcine lung,and the latter was more influential,whereas simulated blood perfusion showed no significant impact on it.
5.Gut microbiota diversity and characteristic microbiota in patients with different histopathological subtypes of lung cancer
Yang LYU ; Liangliang BAO ; Yisheng HE ; Mo YANG ; Lihao CHEN
Journal of Clinical Medicine in Practice 2025;29(14):18-22
Objective To explore the differences in gut microbiota among different histopathologi-cal subtypes of lung cancer.Methods A total of 80 lung cancer patients admitted to the Department of Oncology and Hematology of Anqing First People's Hospital from February 2020 to February 2024 were selected as study subjects.Meanwhile,80 healthy volunteers who underwent physical examina-tions during the same period were selected as control group.According to pathological examination re-sults,the lung cancer patients were divided into three subgroups:lung squamous cell carcinoma group,lung adenocarcinoma group,and lung small-cell cancer group.The 16S ribosomal RNA(16S rRNA)sequencing technology was used to compare the differences in gut microbiota diversity and the characteristics of species relative abundance between lung cancer patients with different patho-logical grades and the control group.Results The proportion of patients with a family history of lung cancer was higher in different lung cancer subtypes than in the control group,and the difference was statistically significant(P<0.05).The abundance-based coverage estimator(ACE)index,Simpson index,and Shannon index of patients with different lung cancer pathological subtypes were all lower than those in the control group,and the differences were statistically significant(P<0.05).β-diver-sity analysis showed that there were significant differences in the variation of gut microbial community structure between the control group and lung cancer patients with different pathological types(P<0.05).The results of LEfSe indicated that there were differences in gut characteristic microbiota among patients with different pathological subtypes.Specifically,Megamonas was enriched in the LUAD group,Butyrivibrio was enriched in the LSCC group,and Akkermansia was enriched in the SCLC group.Conclusion There are significant differences in the composition of gut microbiota between lung cancer patients and the normal population,and the gut microbiota of patients with different lung cancer pathological subtypes have distinct characteristics.These differences may provide new bio-markers and therapeutic strategies for the diagnosis and treatment of lung cancer.
6.A simple sonographic approach to thoracic transforaminal epidural injections for zoster-associated pain involving multiple nerves: an exploratory prospective cohort study
Shuyue ZHENG ; Dan WANG ; Li YUE ; Liangliang HE
Korean Journal of Anesthesiology 2025;78(3):236-247
Background:
A simple superoposterior approach to thoracic transforaminal epidural injections (TFEIs) under ultrasonographic guidance was proposed to reduce zoster-associated pain (ZAP) involving multiple thoracic nerves and the likelihood of transitioning to postherpetic neuralgia (PHN).
Methods:
Patients were prospectively enrolled. Primary endpoints were the burden of illness (BOI) scores and epidural contrast spread. Secondary endpoints included number of needle insertion attempts, sensory blockade, hemodynamic changes, procedure time, radiation dose, adverse events, rescue analgesics, PHN incidence and EuroQoL 5-Dimension scores.
Results:
Thirty-five injections were performed in 27 patients. Median levels of cephalad-caudad epidural contrast spread were 3, 4, and 5 ml following injections of 2, 3, and 4 ml. Dorsal epidural spread was observed at levels 3, 4, and 5, whereas concurrent ventral spread was observed at levels 2, 3, and 4. BOI scores at 30–180 days significantly decreased (mean difference: −25.3, 95% CI [−57.4 to 6.6], P = 0.005), accounting for reduced rescue analgesic requirements and PHN occurrence and improved EuroQoL 5-Dimension scores. Median sensory blockade at 5 min post-procedure was at level 2, 3, and 4 after 2, 3, and 4 ml of therapeutic injectate. No significant hemodynamic changes were noted at 15 min post-injection. No serious adverse events were observed.
Conclusions
Spread of thoracic epidural contrast to all involved nerves was confirmed using this novel technique. Simplified needle placement reduced the technical difficulty and risk of complications. It might be a promising alternative approach for ZAP.
7.A simple sonographic approach to thoracic transforaminal epidural injections for zoster-associated pain involving multiple nerves: an exploratory prospective cohort study
Shuyue ZHENG ; Dan WANG ; Li YUE ; Liangliang HE
Korean Journal of Anesthesiology 2025;78(3):236-247
Background:
A simple superoposterior approach to thoracic transforaminal epidural injections (TFEIs) under ultrasonographic guidance was proposed to reduce zoster-associated pain (ZAP) involving multiple thoracic nerves and the likelihood of transitioning to postherpetic neuralgia (PHN).
Methods:
Patients were prospectively enrolled. Primary endpoints were the burden of illness (BOI) scores and epidural contrast spread. Secondary endpoints included number of needle insertion attempts, sensory blockade, hemodynamic changes, procedure time, radiation dose, adverse events, rescue analgesics, PHN incidence and EuroQoL 5-Dimension scores.
Results:
Thirty-five injections were performed in 27 patients. Median levels of cephalad-caudad epidural contrast spread were 3, 4, and 5 ml following injections of 2, 3, and 4 ml. Dorsal epidural spread was observed at levels 3, 4, and 5, whereas concurrent ventral spread was observed at levels 2, 3, and 4. BOI scores at 30–180 days significantly decreased (mean difference: −25.3, 95% CI [−57.4 to 6.6], P = 0.005), accounting for reduced rescue analgesic requirements and PHN occurrence and improved EuroQoL 5-Dimension scores. Median sensory blockade at 5 min post-procedure was at level 2, 3, and 4 after 2, 3, and 4 ml of therapeutic injectate. No significant hemodynamic changes were noted at 15 min post-injection. No serious adverse events were observed.
Conclusions
Spread of thoracic epidural contrast to all involved nerves was confirmed using this novel technique. Simplified needle placement reduced the technical difficulty and risk of complications. It might be a promising alternative approach for ZAP.
8.Impact factors of vascular heat sink effect during in vitro microwave ablation of porcine lung
Zenan CHEN ; Zhongliang ZHANG ; Sibin WANG ; Xinyuan GUO ; Jing ZHANG ; Xiaobo ZHANG ; Xiaofeng HE ; Liangliang MENG ; Xin ZHANG ; Yingtian WEI ; Yueyong XIAO ; Qun NAN ; Xiao ZHANG
Chinese Journal of Medical Imaging Technology 2025;41(3):383-388
Objective To observe the impact factors of vascular heat sink effect during in vitro microwave ablation(MWA)of porcine lung.Methods Simulation models were established using in vitro porcine lung tissue blocks based on isobaric inflation with an air pump and cyclic perfusion of duck blood with a glass tube and peristaltic pump,etc.MWA was performed under 8 different combining conditions(vessel diameter of 3 or 5 mm,blood perfusion of 30 or 50 cm/s,as well as distance between vessel and ablation antenna of 5 or 10 mm)each for 3 times.The highest temperature TV on vessel side and TC on control side during MWA,and ablation depth DV on vessel side and DC on control side after MWA were recorded.Multi-factor linear regression equations were constructed based on simulated vessel diameters,blood perfusion and distance between vessel and ablation antenna,and the impact factors of|TC-TV|and|DC-DV|were screened,respectively.Results Simulated vessel diameter showed linear positive correlation with both|TC-TV|and|DC-DV|(both P<0.001).Simulated distance between vessel and ablation antenna showed linear negative correlation with both|TC-TV|and|DC-DV|(both P<0.001),and the latter had more obvious impact on vascular heat sink effect than the former.Meanwhile,no significant linear relationship was found between simulated blood perfusion and|TC-TV|nor|DC-DV|(both P>0.05).Conclusion Simulated vessel diameter and distance between vessel and ablation antenna were both impact factors of vascular heat sink effect during in vitro MWA of porcine lung,and the latter was more influential,whereas simulated blood perfusion showed no significant impact on it.
9.Cortical thickness abnormalities in drug-naive first-episode adult depression: a Meta-analysis
Liangliang PING ; Shan SUN ; Cong ZHOU ; Mengxin HE ; Jianyu QUE ; Qi ZHENG ; Zonglin SHEN ; Xiufeng XU ; Yuqi CHENG
Chinese Journal of Psychiatry 2024;57(8):512-519
Objective:This meta-analysis aims to explore the most consistent changes in cortical thickness in drug-naive first-episode patients with major depressive disorder (DF-MDD).Methods:Systematic and comprehensive searches were conducted to acquire relevant literature from the PubMed and Web of Science databases for the studies published from inception to July 23, 2023, by using the keywords ("depression" OR "depressive disorder" OR "unipolar depression") AND ("cortical thickness"OR"thickness"). The SDM (signed differential mapping) software was used to perform whole-brain voxel-wise meta-analysis, heterogeneity test, and assess publication bias. Meta-regression analysis was employed to examine the impact of disease severity on cortical thickness in depression, and heterogeneity was tested, along with an assessment of publication bias.Results:Eight studies were ultimately included, encompassing 417 DF-MDD patients and 409 healthy controls. Compared to the healthy control group, DF-MDD patients exhibited significantly decreased cortical thickness in multiple brain regions, including the supplementary motor area ( Z=-2.471, P<0.000 5) and the rolandic operculum ( Z=-2.190, P<0.000 5). Further regression analysis found that the disease severity was positively correlated with the cortical thickness in the supplementary motor area ( Z=2.265, P<0.000 5) and the rolandic operculum ( Z=1.56, P<0.000 5). Additionally, the average depressive duration was positively correlated with cortical thickness in the right opercular part of the inferior frontal gyrus ( Z=1.922, P<0.000 5), and negatively correlated with changes in the right midcingulate cortex ( Z=-3.035, P<0.000 5) in DF-MDD. Conclusion:DF-MDD patients exhibit reduced cortical thickness in the supplementary motor area and the operculum area during the early stages of the disease. And the observed pattern of cortical alterations is associated with both the severity and duration of the disease.
10.Epidemiological characteristics and spatio-temporal aggregation of hemorrhagic fever with renal syndrome in Hangzhou City from 2010 to 2022
Zhe WANG ; Renjie HUANG ; Lei ZHU ; Shuang FENG ; Zhaokai HE ; Liangliang HUO ; Zhou SUN
Chinese Journal of Endemiology 2024;43(7):586-592
Objective:To study the epidemiological and spatio-temporal distribution characteristics of hemorrhagic fever with renal syndrome (HFRS) in Hangzhou City, providing a scientific basis for prevention and control of HFRS.Methods:Data of HFRS cases reported in Hangzhou City from January 1, 2010 to December 31, 2022 were collected through the Infectious Disease Surveillance and Reporting Information System of China Disease Prevention and Control Information System. Descriptive epidemiological methods were used to analyze the prevalence and three-distribution characteristics of HFRS in Hangzhou City. Joinpoint regression was used to analyze the trend of HFRS incidence in Hangzhou City from 2010 to 2022. Global and local spatial autocorrelation were used to analyze the spatial distribution pattern of HFRS and the hotspots of incidence in Hangzhou City. And spatio-temporal scanning was used to analyze the spatio-temporal aggregation areas of HFRS in Hangzhou City.Results:From 2010 to 2022, a total of 224 HFRS cases were reported in Hangzhou City, with an average annual incidence of 0.18/100 000. The distribution of cases showed obvious seasonality, with peak incidence in spring (March to May) and autumn (September to November), accounting for 30.80% (69/224) and 26.34% (59/224), respectively. HFRS cases were reported in all districts (counties, cities) of the city, among which Xiaoshan District (66 cases, 29.46%), Chun'an County (41 cases, 18.30%) and Jiande City (25 cases, 11.16%) ranked the top three. The majority of the cases were individuals aged 31 to 60 (65.18%, 146/224), males (74.55%, 167/224), and farmers (46.43%, 104/224). Joinpoint regression analysis indicated that the overall incidence of HFRS in Hangzhou City was in downward trend from 2010 to 2022 [average annual percent change (AAPC) = - 5.01%, 95% confidence intervals ( CI): - 9.46% to - 0.34%, t = - 2.10, P = 0.036]. Global spatial autocorrelation analysis showed that there was a positive spatial correlation in the incidence of HFRS among various streets (townships) in Hangzhou City from 2011 to 2014, 2018, and 2020 (Moran's I > 0, Z > 1.96, P < 0.05). Local spatial autocorrelation analysis showed that from 2010 to 2022, the number of streets (towns) in hot areas (high-high) in Hangzhou City was 0, 2, 3, 3, 3, 3, 0, 0, 4, 0, 1, 0, and 1, respectively, and was relatively fixed in the southwest districts (counties, cities). Spatio-temporal scan analysis identified three clusters: Cluster I was from August 2011 to January 2015, centered on Fenkou Town in Chun'an County, involving 5 townships in Chun'an County; Cluster Ⅱ-1 was from August 2012 to March 2016, centered on Puyang Town in Xiaoshan District, involving 5 townships in Xiaoshan District; Cluster Ⅱ-2 was from June 2019 to June 2020, centered on Xiaya Town in Jiande City, not involving other streets (townships). Conclusions:From 2010 to 2022, the majority of HFRS cases in Hangzhou City are middle-aged male farmers. The overall trend of HFRS epidemic is decreasing, mainly concentrated in the southwest districts (counties, cities) of Hangzhou City. In the future, precise prevention and control measures should be implemented in key areas and among key populations.

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