Publications by authors named "Yi Xie"

1,211 Publications

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Directional Manipulation of Electron Transfer by Energy Level Engineering for Efficient Cathodic Oxygen Reduction.

Nano Lett 2022 Aug 5. Epub 2022 Aug 5.

School of Chemistry and Materials Science, Collaborative Innovation Center of Chemistry for Energy Materials, University of Science and Technology of China, Hefei, Anhui 230026, P.R. China.

Electron transfer plays an important role in determining the energy conversion efficiency of energy devices. Nitrogen-coordinated single metal sites (M-N) materials as electrocatalysts have exhibited great potential in devices. However, there are still great difficulties in how to directionally manipulate electron transfer in M-N catalysts for higher efficiency. Herein, we demonstrated the mechanism of electron transfer being affected by energy level structure based on classical iron phthalocyanine (FePc) molecule/carbon models and proposed an energy level engineering strategy to manipulate electron transfer, preparing high-performance ORR catalysts. Engineering molecular energy level via modulating FePc molecular structure with nitro induces a strong interfacial electronic coupling and efficient charge transfer from carbon to FePc-β-NO molecule. Consequently, the assembled zinc-air battery exhibits ultrahigh performance which is superior to most of M-N catalysts. Energy level engineering provides a universal approach for directionally manipulating electron transfer, bringing a new concept to design efficient and stable M-N electrocatalyst.
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http://dx.doi.org/10.1021/acs.nanolett.2c01933DOI Listing
August 2022

Transforming growth factor-β1 protects against LPC-induced cognitive deficit by attenuating pyroptosis of microglia via NF-κB/ERK1/2 pathways.

J Neuroinflammation 2022 Jul 28;19(1):194. Epub 2022 Jul 28.

Department of Neurology, Tongji Hospital, Tongji Medical College, Huazhong University of Science and Technology, Wuhan, 430030, China.

Background: Demyelinating diseases in central nervous system (CNS) are a group of diseases characterized by myelin damage or myelin loss. Transforming growth factor beta1 (TGF-β1) is widely recognized as an anti-inflammatory cytokine, which can be produced by both glial and neuronal cells in CNS. However, the effects of TGF-β1 on demyelinating diseases and its underlying mechanisms have not been well investigated.

Methods: A demyelinating mouse model using two-point injection of lysophosphatidylcholine (LPC) to the corpus callosum in vivo was established. Exogenous TGF-β1 was delivered to the lesion via brain stereotactic injection. LFB staining, immunofluorescence, and Western blot were applied to examine the severity of demyelination and pyroptosis process in microglia. Morris water maze test was used to assess the cognitive abilities of experimental mice. Furthermore, lipopolysaccharide (LPS) was applied to induce pyroptosis in primary cultured microglia in vitro, to explore potential molecular mechanism.

Results: The degree of demyelination in LPC-modeling mice was found improved with supplement of TGF-β1. Besides, TGF-β1 treatment evidently ameliorated the activated proinflammatory pyroptosis of microglia, with downregulated levels of the key pyroptosis effector Gasdermin D (GSDMD), inflammasomes, and cleaved-IL-1β, which effectively attenuated neuroinflammation in vivo. Evaluated by behavioral tests, the cognitive deficit in LPC-modeling mice was found mitigated with application of TGF-β1. Mechanistically, TGF-β1 could reverse pyroptosis-like morphology in LPS-stimulated primary cultured microglia observed by scanning electron microscopy, as well as decrease the protein levels of cleaved-GSDMD, inflammasomes, and cleaved-IL-1β. Activation of ERK1/2 and NF-κB pathways largely abolished the protective effects of TGF-β1, which indicated that TGF-β1 alleviated the pyroptosis possibly via regulating NF-κB/ERK1/2 signal pathways.

Conclusions: Our studies demonstrated TGF-β1 notably relieved the demyelinating injury and cognitive disorder in LPC-modeling mice, by attenuating the inflammatory pyroptosis of microglia via ERK1/2 and NF-κB pathways. Targeting TGF-β1 activity might serve as a promising therapeutic strategy in demyelinating diseases.
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http://dx.doi.org/10.1186/s12974-022-02557-0DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC9336072PMC
July 2022

Estimation and Potential Analysis of Land Population Carrying Capacity in Shanghai Metropolis.

Int J Environ Res Public Health 2022 Jul 6;19(14). Epub 2022 Jul 6.

School of Mining and Geomatics Engineering, Hebei University of Engineering, Handan 056038, China.

It is of great practical significance to understand the current situation of urban land carrying capacity, explore its potential space, and continuously improve the economic adaptability and resilience and population carrying capacity of megacities. Based on the guiding principle of territorial spatial division and the concept of moderate-scale resilient cities, combined with GIS technology, this study aims to divide land spaces into three types and construct different index systems to evaluate the land carrying capacity of Shanghai in different spaces. Furthermore, we propose different schemes of estimating subspace land population carrying capacity, and the carrying potential of land population is analysed as well. The acquired results demonstrate three key points. Firstly, the total land population capacity of Shanghai is estimated at 25,476.61-32,047.27 people, with urban land space being the most dominant for the city's population carrying capacity. Furthermore, the inner suburbs carry the largest population, and the urban centre carries a larger population density than other areas. Secondly, there are significant spatial differences in land population carrying potential. Compared with the demographic data from 2017, Shanghai still has a population carrying potential of 1293.30-7863.97 people and a suitable population carrying potential of 4578.64 people. The population of the urban centre is near the upper limit of the estimated population carrying capacity, and the suburbs, especially the outer suburbs, have large population carrying potential. Thirdly, the estimation method adopted in this study can effectively reveal the spatial differences in population carrying capacity and the potential of different land spaces and different regions in Shanghai, with the estimation results being highly credible. The results will provide references for the improvement of the multi-scenario population planning strategy in Shanghai, as well as enrich the research span and methods currently employed in land carrying capacity.
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http://dx.doi.org/10.3390/ijerph19148240DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC9318968PMC
July 2022

A nonconjugated radical polymer with stable red luminescence in the solid state.

Mater Horiz 2022 Jul 26. Epub 2022 Jul 26.

School of Science and Engineering, Shenzhen Institute of Aggregate Science and Technology, The Chinese University of Hong Kong, Shenzhen, Guangdong, 518172, China.

Organic radicals are unstable and stable radicals usually display non-luminescent properties. Luminescent radicals possess the all-in-one properties of optoelectronics, electronics, and magnetics. To date, the reported structures of luminescent radicals are limited to triphenylmethyl radical derivatives and their analogues, which are stabilized with extended π-conjugation. Here, we demonstrate the first example of a nonconjugated luminescent radical. In spite of the lack of delocalized π-stabilization, the radical polymer readily emits red luminescence in the solid state. A traditional luminescent quencher, 2,2,6,6-tetramethylpiperidin-1-yl turned into a red chromophore when grafted onto a polymer backbone. Experimental data confirm that the emission is associated with the nitroxide radicals and is also affected by the packing of the polymer. This work discloses a novel class of luminescent radicals and a distinctive pathway for luminescence from open-shell materials.
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http://dx.doi.org/10.1039/d2mh00808dDOI Listing
July 2022

Resurfacing of a Degloved Finger With a Reverse Radial Adipofascial Forearm Flap.

Authors:
Yi Xie Lipi Shukla

J Hand Surg Glob Online 2022 Jul 28;4(4):226-229. Epub 2022 Apr 28.

Plastic and Reconstructive Surgery Department, The Alfred Hospital, Melbourne, Victoria, Australia.

Complex upper-limb trauma, in particular crush and avulsion injuries, present an ongoing challenge for the reconstructive hand surgeon given the extensive zone of injury, particularly involving the neurovascular structures. When replantation is deemed unsuitable, the reconstruction must be both robust and flexible enough to meet the functional needs of the patient. The authors present a case of a ring avulsion amputation of the middle digit of a young patient's dominant hand. Due to the distal extent of avulsion, the amputated digit was determined to be nonreplantable, and the patient's medical comorbidities precluded traditional delayed pedicle flap options. Therefore, a reverse radial adipofascial flap was used as a single-stage reconstruction to resurface the entirety of the circumferential digital defect. At 8 months of follow up, the patient demonstrated exceptional passive and active range of motion with excellent contour and cosmesis, illustrating the utility of this reconstructive option.
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http://dx.doi.org/10.1016/j.jhsg.2022.03.004DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC9308155PMC
July 2022

[Changes and Trends of Drug Resistance of Pathogenic Bacteria in Blood Samples of a Tertiary-Level Teaching Hospital from 2016 to 2020].

Sichuan Da Xue Xue Bao Yi Xue Ban 2022 Jul;53(4):688-695

Department of Laboratory Medicine, West China Hospital, Sichuan University, Chengdu 610041, China.

Objective: To investigate the distribution of pathogenic bacteria in blood samples and changes in their drug resistance in our hospital from 2016 to 2020, and to provide evidence for the diagnosis and treatment of clinical bloodstream infections.

Methods: Bruker Corporation's matrix-assisted laser desorption ionization time-of-flight mass spectrometry (MALDI-TOF MS) was used for bacterial identification, VITEK 2 Compact was used for antimicrobial susceptibility test, some of which was done with the Kirby-Bauer method, and the data was statistically analyzed with WHONET 5.6 software.

Results: A total of 8931 bacterial strains, including 4502 (50.4%) Gram-positive bacteria and 4429 (49.6%) Gram-negative bacteria, were isolated from the blood samples between 2016 and 2020. Among the isolated bacteria of the order , (1773, 19.9%) ranked first, followed by (1067, 11.9%). The non-fermenting bacteria identified were predominantly (293, 3.3%) and (238, 2.7%). The top three species were (970 strains, 10.9%), (713, 8.0%) and (541, 6.1%). showed high susceptibility to cefoperazone/sulbactam, amikacin, polymyxin B, tigecycline, and carbapenems, and the sensitivity rate was consistently over 90%. The resistance rate to imipenem showed a trend of slow growth, and the resistance rate of meropenem was 2.2% to 3.4%. showed higher resistance rate to common antibiotics than that of , with only the sensitivity rates to tigecycline and polymyxin B being higher than 90%, and the resistance rate to imipenem and meropenem increasing year by year. The resistance rate of to imipenem decreased since 2017 (from 25.6% to18.6%), and the resistance rate of to imipenem and meropenem were 73.7%-91.3% and 73.0%-91.3%. resistant to vancomycin or linezolid was not found. showed rather low resistance to vancomycin and linezolid.

Conclusion: The distribution of common species of pathogenic bacteria in clinical blood samples in our hospital did not show significant changes, but the problem of multi-drug resistant bacteria is becoming increasingly more serious, especially so for carbapenem-resistant
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http://dx.doi.org/10.12182/20220760506DOI Listing
July 2022

Extracellular vesicles carrying proinflammatory factors may spread atherosclerosis to remote locations.

Cell Mol Life Sci 2022 Jul 18;79(8):430. Epub 2022 Jul 18.

Department of Neurology, Affiliated Jinling Hospital, Medical School of Nanjing University, Nanjing, 210002, Jiangsu, China.

Most cells involved in atherosclerosis release extracellular vesicles (EVs), which can carry bioactive substances to downstream tissues via circulation. We hypothesized that EVs derived from atherosclerotic plaques could promote atherogenesis in remote locations, a mechanism that mimics the blood metastasis of cancer. Ldlr gene knockout (Ldlr KO) rats were fed on a high cholesterol diet and underwent partial carotid ligation to induce local atherosclerosis. EVs were separated from carotid artery tissues and downstream blood of carotid ligation by centrifugation. MiRNA sequencing and qPCR were then performed to detect miRNA differences in EVs from rats with and without induced carotid atherosclerosis. Biochemical analyses demonstrated that EVs derived from atherosclerosis could increase the expression of ICAM-1, VCAM-1, and E-selectin in endothelial cells in vitro. EVs derived from atherosclerosis contained a higher level of miR-23a-3p than those derived from controls. MiR-23a-3p could promote endothelial inflammation by targeting Dusp5 and maintaining ERK1/2 phosphorylation in vitro. Inhibiting EV release could attenuate atherogenesis and reduce macrophage infiltration in vivo. Intravenously administrating atherosclerotic plaque-derived EVs could induce intimal inflammation, arterial wall thickening and lumen narrowing in the carotids of Ldlr KO rats, while simultaneous injection of miR-23a-3p antagomir could reverse this reaction. The results suggested that EVs may transfer atherosclerosis to remote locations by carrying proinflammatory factors, particularly miR-23a-3p.
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http://dx.doi.org/10.1007/s00018-022-04464-2DOI Listing
July 2022

Super-enhancer profiling identifies novel critical and targetable cancer survival gene LYL1 in pediatric acute myeloid leukemia.

J Exp Clin Cancer Res 2022 Jul 16;41(1):225. Epub 2022 Jul 16.

Institute of Pediatric Research, Children's Hospital of Soochow University, No.92 Zhongnan Street, SIP, Suzhou, 215003, China.

Background: Acute myeloid leukemia (AML) is a myeloid neoplasm makes up 7.6% of hematopoietic malignancies. Super-enhancers (SEs) represent a special group of enhancers, which have been reported in multiple cell types. In this study, we explored super-enhancer profiling through ChIP-Seq analysis of AML samples and AML cell lines, followed by functional analysis.

Methods: ChIP-seq analysis for H3K27ac was performed in 11 AML samples, 7 T-ALL samples, 8 B-ALL samples, and in NB4 cell line. Genes and pathways affected by GNE-987 treatment were identified by gene expression analysis using RNA-seq. One of the genes associated with super-enhancer and affected by GNE-987 treatment was LYL1 basic helix-loop-helix family member (LYL1). shRNA mediated gene interference was used to down-regulate the expression of LYL1 in AML cell lines, and knockdown efficiency was detected by RT-qPCR and western blotting. The effect of knockdown on the growth of AML cell lines was evaluated by CCK-8. Western blotting was used to detect PARP cleavage, and flow cytometry were used to determine the effect of knockdown on apoptosis of AML cells.

Results: We identified a total of 200 genes which were commonly associated with super-enhancers in ≧10 AML samples, and were found enriched in regulation of transcription. Using the BRD4 inhibitor GNE-987, we assessed the dependence of AML cells on transcriptional activation for growth and found GNE-987 treatment predominantly inhibits cell growth in AML cells. Moreover, 20 candidate genes were selected by super-enhancer profile and gene expression profile and among which LYL1 was observed to promote cell growth and survival in human AML cells.

Conclusions: In summary, we identified 200 common super-enhancer-associated genes in AML samples, and a series of those genes are cancer genes. We also found GNE-987 treatment downregulates the expression of super-enhancer-associated genes in AML cells, including the expression of LYL1. Further functional analysis indicated that LYL1 is required for AML cell growth and survival. These findings promote understanding of AML pathophysiology and elucidated an important role of LYL1 in AML progression.
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http://dx.doi.org/10.1186/s13046-022-02428-9DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC9288051PMC
July 2022

Implementation of symmetry-adapted perturbation theory based on density functional theory and using hybrid exchange-correlation kernels for dispersion terms.

J Chem Phys 2022 Jul;157(2):024801

Center for Computational Molecular Science and Technology, School of Chemistry and Biochemistry, School of Computational Science and Engineering, Georgia Institute of Technology, Atlanta, Georgia 30332-0400, USA.

We report the implementation of a symmetry-adapted perturbation theory algorithm based on a density functional theory [SAPT(DFT)] description of monomers. The implementation adopts a density-fitting treatment of hybrid exchange-correlation kernels to enable the description of monomers with hybrid functionals, as in the algorithm by Bukowski, Podeszwa, and Szalewicz [Chem. Phys. Lett. 414, 111 (2005)]. We have improved the algorithm by increasing numerical stability with QR factorization and optimized the computation of the exchange-correlation kernel with its 2-index density-fitted representation. The algorithm scales as O(N) formally and is usable for systems with up to ∼3000 basis functions, as demonstrated for the C-buckycatcher complex with the aug-cc-pVDZ basis set. The hybrid-kernel-based SAPT(DFT) algorithm is shown to be as accurate as SAPT(DFT) implementations based on local effective exact exchange potentials obtained from the local Hartree-Fock (LHF) method while avoiding the lower-scaling [O(N)] but iterative and sometimes hard-to-converge LHF process. The hybrid-kernel algorithm outperforms Hartree-Fock-based SAPT (SAPT0) for the S66 test set, and its accuracy is comparable to the many-body perturbation theory based SAPT2+ approach, which scales as O(N), although SAPT2+ exhibits a more narrow distribution of errors.
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http://dx.doi.org/10.1063/5.0090688DOI Listing
July 2022

Robot-assisted partial nephrectomy with a new robotic surgical system: feasibility and perioperative outcomes.

J Endourol 2022 Jul 15. Epub 2022 Jul 15.

Civil Aviation General Hospital, 117987, Department of Urology, Beijing, China;

Purpose: To evaluate the feasibility and safety of a novel robotic system (KD-SR-01) for partial nephrectomy.

Methods: Seventeen patients with small renal mass (SRM) (≤4 cm) underwent KD-SR-01 robotic partial nephrectomy (KD-RPN) from December 2020 to March 2021 in our institution. The operative outcomes and perioperative data, including clinical and histological data, were prospectively collected and analyzed.

Results: In total, 10 men and 7 women, with a median age of 51 years, underwent KD-RPN. Four transperitoneal procedures and 13 retroperitoneal procedures were successfully performed without conversion to open or conventional laparoscopic surgery. The docking time and robotic operative time were 3.3 min and 68.6 min, respectively. The warm ischemia time was 16.9 min. No major intraoperative or postoperative complications (Clavien grade ≥ III) occurred. The duration of postoperative hospital stay was 5 days. Pathologic examination revealed nine clear cell carcinomas, two papillary cell carcinomas, one oncocytoma, and five angiomyolipoma. All surgical margins were negative. The estimated globular filtration rate (eGFR) on the 1st postoperative day was significantly decreased compared to the preoperative eGFR (91.7±12.9 ml/min vs. 97.9±10.7 ml/min, P =0.036). However, no significant difference was observed between the preoperative eGFR and the value on the 4th postoperative day (95.7±13.4 ml/min vs. 97.9±10.7 ml/min, P=0.427).

Conclusion: KD-RPN was safe and feasible for the treatment of SRM. The early oncologic and functional outcomes were promising. Long-term follow-up and well-designed prospective comparative studies with the da Vinci platform are needed to corroborate these findings.
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http://dx.doi.org/10.1089/end.2022.0140DOI Listing
July 2022

Molecular insight into the systematic affinity and selectivity of partner recognition sites between the WW1 and WW2 domains of human KIBRA neuroprotein.

J Mol Graph Model 2022 Jun 27;116:108258. Epub 2022 Jun 27.

Department of Anesthesiology, Zibo Central Hospital, Affiliated to Binzhou Medical University, Zibo, 255020, China. Electronic address:

Human KIBRA, a member of the WWC family proteins, is an upstream regulator of the Salvador/Warts/Hippo (SWH) signaling pathway and predominately expressed in nervous system. The protein has two functionally regulatory domains WW1 and WW2 at N-terminal region, which recognize and bind to the PY-motif segments of their partner proteins to serve as a signaling scaffold role in the SWH pathway. The two domains are highly conserved, but their downstream ligands and biological functions may not be fully consistent. In this study, we attempted to systematically profile the PY-motif affinity to and selectivity between KIBRA WW1 and WW2 domains involved in partner recognition sites. Ontology mining was used to enrich the KIBRA-interacting proteins in literature libraries, from which a variety of PY-motif peptide segments were identified, and their binding behavior to each domain was then analyzed by integrating computational modeling and experimental assay. Most PY-motif peptides were found to interact potently with WW1 and WW2, but they generally only exhibit a moderate or modest selectivity between the two domains. Subsequently, several representative peptides were further examined in detail to elucidate the molecular mechanism underlying their affinity and selectivity. It is revealed that the middle motif region of PY-motif peptides is primarily responsible for the affinity and stability of peptide binding, but only contributes marginally to peptide selectivity. Instead, the N-terminal region and, particularly, C-terminal region of PY-motif peptides play a crucial role in the selectivity. Hydrophobic contacts and hydrogen bonds confer stability and specificity to the domain-peptide interaction, respectively.
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http://dx.doi.org/10.1016/j.jmgm.2022.108258DOI Listing
June 2022

Blood Pressure Control and Renal Function Preservation of ex vivo Renal Artery Repair with Orthotopic Renal Autotransplantation for Complex Renal Artery Diseases.

J Vasc Surg 2022 Jul 4. Epub 2022 Jul 4.

Department of Vascular Surgery, Peking Union Medical College Hospital, Chinese Academy of Medical Sciences and Peking Union Medical College, Beijing, PR China. Electronic address:

Objective: To assess the outcome of ex vivo renal artery repair with orthotopic renal autotransplantation for complex renal artery disease patients.

Methods: The single-center study collected and analyzed the data from complex renal artery disease patients undergoing ex vivo renal artery repair with orthotopic renal autotransplantation, retrospectively.

Results: A total of 21 complex renal artery lesions from 19 patients were included. The mean blood pressure showed a significant decrease from the preoperative to the postoperative period (p<.05). Renal function kept stable for the perioperative period. No significant serum creatinine & estimated glomerular filtration rate alteration was observed compared with immediate postoperative period (p=.439 and .904, respectively). The median renal cold ischemia time was 35.5 (76) min. Two patients developed perioperative complications, one with acute cholecystitis and one with acute renal failure after graft occlusion in solitary kidney. During the median follow-up of 48 months, one single bypass graft of a solitary kidney was occluded, and four grafts developed restenosis. The primary, and primary-assisted patency rates at the 5-year follow-up were 81.3%, and 87.5%, respectively. No deaths were observed in the follow-up period.

Conclusions: Ex vivo renal artery reconstruction with orthotopic renal autotransplantation in complex renal artery disease patients offer stable control of blood pressure and renal function preservation, and should be considered as a potential alternative for other open surgical procedures.
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http://dx.doi.org/10.1016/j.jvs.2022.04.057DOI Listing
July 2022

The tumor suppressor function of hsa_circ_0006282 in gastric cancer through PTEN/AKT pathway.

Int J Clin Oncol 2022 Jul 7. Epub 2022 Jul 7.

Department of Gastroenterology, The Affiliated Hospital of Medical School, Ningbo University, Ningbo, 315020, China.

Background: Circular RNAs (circRNAs) play key roles in carcinogenesis. However, the roles of circRNAs in gastric cancer are largely unknown. The aim of this study is to study the possible roles of hsa_circ_0006282 in gastric cancer.

Methods: The hsa_circ_0006282 levels in gastric cancer cell lines, 85 gastritis tissues, and 103 paired gastric cancer tissues and non-tumor tissues were first detected by quantitative real-time reverse transcription-polymerase chain reaction. RNA interference and hsa_circ_0006282 expression plasmid were further used to manipulate hsa_circ_0006282 expression in gastric cancer. Finally, biological effects of hsa_circ_0006282 were analyzed by real-time cell analysis, flow cytometry, Transwell, cell cloning assay and Western blot analysis.

Results: Hsa_circ_0006282 was down expressed in gastric cancer cells, gastritis tissues, and gastric cancer tissues. The abilities of cell proliferation, cell migration and resistance to apoptosis were enhanced after hsa_circ_0006282 was downregulated, while overexpression of hsa_circ_0006282 got opposite results. Besides, Western blot showed that the levels of protein kinase B (AKT) and cyclin-dependent kinase 2 (CDK2) were significantly increased and decreased after knockdown and up-regulation of hsa_circ_0006282, respectively, while phosphatase and tensin homolog deleted on chromosome ten (PTEN) was significantly opposite regulated. Finally, hsa_circ_0006282 promoted the expression of PTEN by sponging hsa-miR-136-5p.

Conclusion: By regulating the PTEN/AKT signaling pathway through competitively binding with hsa-miR-136-5p, hsa_circ_0006282 suppresses the growth of gastric cancer.
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http://dx.doi.org/10.1007/s10147-022-02210-zDOI Listing
July 2022

Visualization of a Machine Learning Framework toward Highly Sensitive Qualitative Analysis by SERS.

Anal Chem 2022 07 6;94(28):10151-10158. Epub 2022 Jul 6.

State Key Laboratory for Physical Chemistry of Solid Surfaces, College of Chemistry and Chemical Engineering, Xiamen University, Xiamen, Fujian 361005, China.

Surface-enhanced Raman spectroscopy (SERS), providing near-single-molecule-level fingerprint information, is a powerful tool for the trace analysis of a target in a complicated matrix and is especially facilitated by the development of modern machine learning algorithms. However, both the high demand of mass data and the low interpretability of the mysterious black-box operation significantly limit the well-trained model to real systems in practical applications. Aiming at these two issues, we constructed a novel machine learning algorithm-based framework (Vis-CAD), integrating visual random forest, characteristic amplifier, and data augmentation. The introduction of data augmentation significantly reduced the requirement of mass data, and the visualization of the random forest clearly presented the captured features, by which one was able to determine the reliability of the algorithm. Taking the trace analysis of individual polycyclic aromatic hydrocarbons in a mixture as an example, a trustworthy accuracy no less than 99% was realized under the optimized condition. The visualization of the algorithm framework distinctly demonstrated that the captured feature was well correlated to the characteristic Raman peaks of each individual. Furthermore, the sensitivity toward the trace individual could be improved by least 1 order of magnitude as compared to that with the naked eye. The proposed algorithm distinguished by the lesser demand of mass data and the visualization of the operation process offers a new way for the indestructible application of machine learning algorithms, which would bring push-to-the-limit sensitivity toward the qualitative and quantitative analysis of trace targets, not only in the field of SERS, but also in the much wider spectroscopy world. It is implemented in the Python programming language and is open-source at https://github.com/3331822w/Vis-CAD.
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http://dx.doi.org/10.1021/acs.analchem.2c01450DOI Listing
July 2022

Autocatalytic Laser Activator for Both UV and NIR Lasers: Preparation of Circuits on Polymer Substrates by Selective Metallization.

ACS Appl Mater Interfaces 2022 Jul 28;14(27):31411-31423. Epub 2022 Jun 28.

State Key Laboratory of Polymer Materials Engineering of China, Polymer Research Institute, Sichuan University, Chengdu 610065, China.

In laser-induced selective metallization (LISM), conventional laser activators only work at a single laser wavelength. This study reported a new laser activator (MoO) very suitable for both 355 nm UV and 1064 nm near-infrared (NIR) lasers for the first time. When applying MoO to polymers, the prepared Cu layer on laser-activated polymers showed a good conductivity (2.63 × 10 Ω·m) and excellent adhesion. Scanning electron microscopy, optical microscopy, and resistance analysis revealed the excellent LISM performance of the polymer/MoO composites, and the quality of the Cu layer prepared using the UV laser is much better than that using the NIR laser. The limit width of the copper wire prepared by the UV laser is as narrow as 30.1 μm. We also confirmed the mechanism of MoO initiating electroless copper plating after laser activation to be the autocatalytic mechanism, which is very different from the conventional reduction mechanism. The effect of laser activation was only to expose the MoO active species to the polymer surface. X-ray diffraction and tube experiments revealed that the activity of α·h-MoO was higher than that of α-MoO. X-ray photoelectron spectroscopy indicated that a part of Mo was reduced to Mo during laser activations, leading to the increase of the oxygen vacancies in MoO and possibly further enhancing the activity of MoO. Besides, the micro-rough structures caused by the laser on the polymer surface provided riveting points for successfully depositing the copper layer. The Ni-Cu, Ag-Cu, and Au-Ni-Cu layers were obtained via the continued deposit of other metals on the Cu layer. The resistances of these metal layers had much better stability than that of the neat Cu layer. Furthermore, the Au layer further enhanced the conductivity of the circuit. The proposed strategy is easy for large-scale industrial applications, which will greatly expand the application scenarios of the LISM field.
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http://dx.doi.org/10.1021/acsami.2c06855DOI Listing
July 2022

Room-Temperature Photooxidation of CH to CHOH with Nearly 100% Selectivity over Hetero-ZnO/FeO Porous Nanosheets.

J Am Chem Soc 2022 Jul 28;144(27):12357-12366. Epub 2022 Jun 28.

Hefei National Research Center for Physical Sciences at the Microscale, University of Science and Technology of China, Hefei 230026, China.

The huge challenge for CH photooxidation into CHOH lies in the activation of the inert C-H bond and the inhibition of CHOH overoxidation. Herein, we design two-dimensional in-plane -scheme heterostructures composed of two different metal oxides, with efforts to polarize the symmetrical CH molecules and strengthen the O-H bond in CHOH. As a prototype, we first fabricate ZnO/FeO porous nanosheets, where high-resolution transmission electron microscopy and X-ray photoelectron spectroscopy affirm their in-plane -scheme heterostructure. Fourier transform infrared spectra and electron paramagnetic resonance spectra demonstrate their higher amount of ·CH radicals relative to the pristine ZnO porous nanosheets, in which density functional theory calculations validate that the high local charge accumulation on Fe sites lowers the CH adsorption energy from 0.14 to 0.06 eV. Moreover, the charge-accumulated Fe sites strengthen the polarity of the O-H bond in CHOH through transferring electrons to the O atoms, confirmed by the increased barrier from 0.30 to 2.63 eV for *CHO formation, which inhibits the homolytic O-H bond cleavage and thus suppresses CHOH overoxidation. Accordingly, the CHOH selectivity over ZnO/FeO porous nanosheets reaches up to nearly 100% with an activity of 178.3 μmol g, outperforming previously reported photocatalysts without adding any oxidants under room temperature and ambient pressure.
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http://dx.doi.org/10.1021/jacs.2c03866DOI Listing
July 2022

The response of steroid estrogens bioavailability to various sorption mechanisms by soil organic matter extracted with sequential alkaline-extraction method from an agriculture soil.

Environ Pollut 2022 Sep 24;308:119630. Epub 2022 Jun 24.

Key Laboratory of Regional Environment and Eco-restoration, Ministry of Education, Shenyang University, Shenyang, 110044, China; College of New Energy and Environment, Jilin University, Changchun, 130012, China.

The long-term groundwater contamination risks posed by steroidal estrogens (SEs) in animal-manured agricultural soils are closely associated with the soil organic matter (SOM) content and composition. In this study, the bioavailability of estrone (E1) and 17β-estradiol (17β-E2) under different sorption mechanism in humic acids (HA1 and HA2) and humin (HM) extracted with sequential alkaline-extraction technique (SAET) were examined. These SOMs extracted by SAET showed various properties and sorption characteristics for SEs. The alkyl carbon and condensed SOM increased during SAET, but aromatic carbon decreased and the same trend for polarity. Quick sorption was the major SEs sorption mechanism on HA1 and HA2, which contributed more than 69%; whilst slow sorption rate was about 50% in soil and HM. The logK values were proportional to the TOC of SOM according to Freundlich fitting, and the sorption capacity of sorbent for E1 and 17β-E2 was related to the logK values, indicating that the main mechanism controlling the SEs sorption was hydrophobic interaction. The larger micropore volume of HM and soil was more conducive to the micropore filling of SEs. Meanwhile, the specific sorption of SEs on condensed domain of SOM was the main reason for the strong desorption hysteresis and slow sorption in HM and soil. The SEs degradation rate was positively correlated with the contribution rate of quick adsorption and negatively correlated with the contribution rate of slow adsorption, indicating that the bioavailability of SEs sorbed by hydrophobic interaction was higher than that of micropore filling or specific sorption, which was also the reason for the low bioavailability of SEs in HM and soil. This work confirms the regulation of on-site SOM compositions and their properties on SEs sorption and bioavailability. Characterization of these details is crucial for the improved prediction of long-term risks to groundwater.
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http://dx.doi.org/10.1016/j.envpol.2022.119630DOI Listing
September 2022

Comparison of Post-operative Outcomes Between Direct Axillary Artery Cannulation and Side-Graft Axillary Artery Cannulation in Cardiac Surgery: A Systematic Review and Meta-Analysis.

Front Cardiovasc Med 2022 10;9:925709. Epub 2022 Jun 10.

Department of Cardiovascular Surgery, West China Hospital, Sichuan University, Chengdu, China.

Background: There is a growing perception of using axillary artery cannulation to improve operative outcomes in cardiopulmonary bypass surgery. Two techniques, direct cannulation or side-graft cannulation, can be used for axillary artery cannulation, but which technique is better is controversial.

Methods: A meta-analysis of comparative studies reporting operative outcomes using direct cannulation vs. side-graft cannulation was performed. We searched the PubMed, EMbase, Web of Science, and Cochrane Library. Outcomes of interest were neurological dysfunction, cannulation-related complications and early mortality. The fixed effects model was used.

Results: A total of 1,543 patients were included in the final analysis. Direct cannulation was used in 846 patients, and side-graft cannulation was used in 697 patients. Meta-analysis showed a higher occurrence of neurological Complication in direct cannulation group [odds ratio, 1.45, 95% CI (1.00, 2.10), χ = 4.40, = 0.05] and a significantly higher incidence of cannulation-related complications in the direct cannulation group [odds ratio, 3.12, 95% CI (1.87, 5.18), χ = 2.54, < 0.0001]. The incidence of early mortality did not have a difference [odds ratio, 0.95, 95% CI (0.64, 1.41), χ = 6.35, = 0.79].

Conclusions: This study suggests that side-graft axillary artery cannulation is a better strategy as it reduces the incidence of neurological dysfunction and cannulation-related complications.

Systematic Review Registration: https://www.crd.york.ac.uk/PROSPERO/, identifier: CRD42022325456.
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http://dx.doi.org/10.3389/fcvm.2022.925709DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC9226477PMC
June 2022

The Effect of Big Data Analytics Capability on Competitive Performance: The Mediating Role of Resource Optimization and Resource Bricolage.

Front Psychol 2022 10;13:882810. Epub 2022 Jun 10.

Department of Tourism Management, Chongqing City Vocational College, Chongqing, China.

Although big data analytics capability (BDAC) leads to competitive performance, the mechanism of the relationship is still unclear. To narrow the research gap, this paper investigates the mediating roles of two forms of resource integration (resource optimization and resource bricolage) in the relationship between two forms of BDAC [big data analytics (BDA) management capability and BDA technology capability] and competitive performance. Supported by Partial Least Squares-Structural Equation Modeling (PLS-SEM) and the cross-sectional survey data from 219 Chinese enterprises, the results show that the resource bricolage plays a significantly mediating role in the relationships between BDA management capability and competitive performance as well as in the relationship between BDA technology capability and competitive performance. Furthermore, the mediating effect in the former relationship is stronger than that in the latter relationship. Additionally, BDA technology capability only has a direct effect on resource bricolage, while BDA management capability has a stronger effect on resource optimization than that on resource bricolage. Finally, resource bricolage has a stronger impact on competitive performance than resource optimization. These findings contribute to understanding how enterprises could apply different forms of BDAC to other kinds of resource integration to achieve outstanding competitive performance.
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http://dx.doi.org/10.3389/fpsyg.2022.882810DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC9226484PMC
June 2022

Ultralow In-Plane Thermal Conductivity in 2D Magnetic Mosaic Superlattices for Enhanced Thermoelectric Performance.

ACS Nano 2022 Jun 24. Epub 2022 Jun 24.

Hefei National Laboratory for Physical Sciences at the Microscale, CAS Key Laboratory of Mechanical Behavior and Design of Materials, University of Science and Technology of China, Hefei, Anhui 230026, P. R. China.

Lowering thermal conductivity via introducing heterointerfaces of heterophase fillings (HPFs) is a common strategy for optimizing thermoelectric performance, but it is always accompanied by deterioration of electrical conductivity. Here we report an ordered magnetic HPF system in a CoSe-SnSe mosaic heterostructure superlattice synthesized by van der Waals confined epitaxial growth (vdWCEG), which realizes a maximized filling amount to decrease in-plane thermal conductivity of SnSe layers and maintain the intact in-plane carrier transport path. The in-plane thermal conductivity of CoSe-SnSe superlattice reaches the lowest range among SnSe-based materials with a value of 0.27 W m K at 850 K, which can be attributed to abundant interfaces between CoSe nanocrystals and SnSe layers. Moreover, the CoSe nanocrystals show superparamagnetic behavior, by which the rotation of magnetic domains provides additional phonon scattering to further decrease in-plane thermal conductivity. By combination with the preserved in-plane electrical conductivity of SnSe layers, an enhanced in-plane ZT value of 0.62 is achieved at 850 K. This vdWCEG approach can also be generally applied to fabricate various other two-dimensional (2D) mosaic heterostructures, providing an avenue for artificial 2D heterostructures with desired functionalities.
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http://dx.doi.org/10.1021/acsnano.2c03978DOI Listing
June 2022

Identification and Characterization of Two Novel Noda-like Viruses from Rice Plants Showing the Dwarfing Symptom.

Viruses 2022 05 27;14(6). Epub 2022 May 27.

State Key Laboratory of Rice Biology, Institute of Biotechnology, Zhejiang University, Hangzhou 310058, China.

Nodaviruses are small bipartite RNA viruses and are considered animal viruses. Here, we identified two novel noda-like viruses (referred to as rice-associated noda-like virus 1 (RNLV1) and rice-associated noda-like virus 2 (RNLV2)) in field-collected rice plants showing a dwarfing phenotype through RNA-seq. RNLV1 genome consists of 3335 nt RNA1 and 1769 nt RNA2, and RNLV2 genome consists of 3279 nt RNA1 and 1525 nt RNA2. Three conserved ORFs were identified in each genome of the two novel viruses, encoding an RNA-dependent RNA polymerase, an RNA silencing suppressor, and a capsid protein, respectively. The results of sequence alignment, protein domain prediction, and evolutionary analysis indicate that these two novel viruses are clearly different from the known nodaviruses, especially the CPs. We have also determined that the B2 protein encoded by the two new noda-like viruses can suppress RNA silencing in plants. Two reverse genetic systems were constructed and used to show that RNLV1 RNA1 can replicate in plant cells and RNLV1 can replicate in insect Sf9 cells. We have also found two unusual peptidase family A21 domains in the RNLV1 CP, and RNLV1 CP can self-cleave in acidic environments. These findings provide new knowledge of novel nodaviruses.
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http://dx.doi.org/10.3390/v14061159DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC9231309PMC
May 2022

Representation in Online Prostate Cancer Content Lacks Racial and Ethnic Diversity: Implications for Black and Latinx Men. Letter.

J Urol 2022 Sep 21;208(3):561-562. Epub 2022 Jun 21.

Department of Urology, Peking Union Medical College Hospital, Chinese Academy of Medical Sciences and Peking Union Medical College, Dongcheng, Beijing, China.

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http://dx.doi.org/10.1097/JU.0000000000002830DOI Listing
September 2022

Bismuth Coordinates with Iodine Atoms to Form Chemical Bonds for Existing Stabilization in Boron Glass.

Inorg Chem 2022 Jul 20;61(26):9860-9867. Epub 2022 Jun 20.

State Key Laboratory of Environment-Friendly Energy Materials, Southwest University of Science and Technology, Mianyang 621010, P. R. China.

Stabilizing radioactive iodine in boron glass for disposal was the ultimate goal of this study. In this study, bismuth was used near a monument. Thermogravimetric analysis showed that bismuth could remarkably stabilize iodine atoms in boron glass (only 3.74% of the mass was lost at 850 °C). Scanning electron microscopy-energy dispersive spectrometry images showed that most of the AgI was uniformly immobilized in the glass network. X-ray photoelectron spectrometry and NMR results confirmed the change in the coordination number of boron in the samples. The density functional theory calculation helped to understand the reason for the stable presence of iodine in boron glass. Iodine atoms were difficult to bond directly with boron atoms but tended to bond with bismuth atoms. From the spatial distribution of the structural molecular orbitals, it was observed that the bismuth atom releases electrons when stimulated, and the iodine atom needs to gain an electron to reach stability. At a low treatment temperature of 550 °C, the maximum density of the immobilized sample containing bismuth is 2.42 g·cm, and its iodine leaching rate at day 7 can be as low as 3.77 × 10 g·m·d. This study provides a way to improve the properties of boron glass microscopically in the future.
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http://dx.doi.org/10.1021/acs.inorgchem.1c03680DOI Listing
July 2022

The Function and the Affecting Factors of the Zebrafish Gut Microbiota.

Front Microbiol 2022 2;13:903471. Epub 2022 Jun 2.

Institute of Modern Physics, Chinese Academy of Sciences, Lanzhou, China.

Gut microbiota has become a topical issue in unraveling the research mechanisms underlying disease onset and progression. As an important and potential "organ," gut microbiota plays an important role in regulating intestinal epithelial cell differentiation, proliferation, metabolic function and immune response, angiogenesis and host growth. More recently, zebrafish models have been used to study the interactions between gut microbiota and hosts. It has several advantages, such as short reproductive cycle, low rearing cost, transparent larvae, high genomic similarity to humans, and easy construction of germ-free (GF) and transgenic zebrafish. In our review, we reviewed a large amount of data focusing on the close relationship between gut microbiota and host health. Moreover, we outlined the functions of gut microbiota in regulating intestinal epithelial cell differentiation, intestinal epithelial cell proliferation, metabolic function, and immune response. More, we summarized major factors that can influence the composition, abundance, and diversity of gut microbiota, which will help us to understand the significance of gut microbiota in regulating host biological functions and provide options for maintaining the balance of host health.
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http://dx.doi.org/10.3389/fmicb.2022.903471DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC9201518PMC
June 2022

Visual Multimedia Intelligent Computing System for Seismic Performance of Bridge Structure Based on Object-Oriented Technology.

Comput Intell Neurosci 2022 2;2022:8250649. Epub 2022 Jun 2.

Beihua University, Jilin 132013, China.

In order to further promote the standardization of seismic performance design of bridge structures, one must ensure the quality of bridge design and improve design efficiency. First, based on the basic principle of the probabilistic pushover method, the randomness of the structural pushover curve is attributed to the randomness of plastic hinges. Second, the visualization of seismic performance of bridge structures based on the object-oriented technology is adopted. So that the randomness of seismic action can be considered in the analysis of seismic performance. Finally, the limit state equation of the seismic performance of the structure is used to evaluate the reliability of the seismic performance of the bridge in each limit state conveniently. The results show that the failure probability of the structure in each limit state is less than 0.5 under different basic accelerations from 0 to 0.4 g. The software method is simple in calculation and has a strong adaptability, avoiding the difficulty of seismic reliability analysis caused by large-scale simulation and large amount of calculation of traditional structures. Therefore, this method can be easily applied to the probabilistic analysis of seismic behavior of bridge structures under large earthquakes without evaporative deformation failure criterion.
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http://dx.doi.org/10.1155/2022/8250649DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC9184187PMC
June 2022

Ru Colloidosome Catalysts for the Hydrogen Oxidation Reaction in Alkaline Media.

J Am Chem Soc 2022 Jun 8;144(25):11138-11147. Epub 2022 Jun 8.

Hefei National Research Center for Physical Sciences at Microscale, University of Science and Technology of China, Hefei, Anhui 230026, China.

Developing efficient hydrogen oxidation reaction (HOR) electrocatalysts in alkaline media is of great significance for anion exchange membrane fuel cells. Herein, we report the synthesis of hollow colloidosomes composed of Ru nanocrystals based on a novel gas/liquid interface self-assembly strategy. Structural characterizations reveal that much defects are present in the building block (Ru nanocrystals) of Ru colloidosomes. Theoretical calculations suggest that the defects in the Ru structure can optimize the adsorption binding energy of reaction intermediates for the HOR. Benefiting from the assembled colloidosome and optimized electronic structure, the Ru colloidosomes exhibit remarkable HOR catalytic performance in alkaline media with a mass activity higher than that of benchmark Pt/C. Our work may shed new light on the rational design of advanced electrocatalysts with an assembled structure for energy-related applications.
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http://dx.doi.org/10.1021/jacs.2c00793DOI Listing
June 2022

Integrative Analysis of KCNK Genes and Establishment of a Specific Prognostic Signature for Breast Cancer.

Front Cell Dev Biol 2022 17;10:839986. Epub 2022 May 17.

Department of Breast Oncology, Sun Yat-sen University Cancer Center, State Key Laboratory of Oncology in South China, Collaborative Innovation Center for Cancer Medicine, Guangzhou, China.

Two-pore domains potassium channel subunits, encoded by KCNK genes, play vital roles in breast cancer progression. However, the characteristics of most KCNK genes in breast cancer has yet to be clarified. In this study, we comprehensively analyzed the expression, alteration, prognosis, and biological functions of various KCNKs in breast cancer. The expression of KCNK1/4/6/9/10/13 were significantly upregulated, while KCNK2/3/5/7/17 were downregulated in breast cancer tissues compared to normal mammary tissues. Increased expression of KCNK1/3/4/9 was correlated with poor overall survival, while high expression of KCNK2/7/17 predicted better overall survival in breast cancer. Eight KCNK genes were altered in breast cancer patients with a genomic mutation rate ranged from 1.9% to 21%. KCNK1 and KCNK9 were the two most common mutations in breast cancer, occurred in 21% and 18% patients, respectively. Alteration of KCNK genes was associated with the worse clinical characteristics and higher TMB, MSI, and hypoxia score. Using machine learning method, a specific prognostic signature with seven KCNK genes was established, which manifested accuracy in predicting the prognosis of breast cancer in both training and validation cohorts. A nomogram with great predictive performance was afterwards constructed through incorporating KCNK-based risk score with clinical features. Furthermore, KCNKs were correlated with the activation of several tumor microenvironment cells, including T cells, mast cells, macrophages, and platelets. Presentation of antigen, stimulation of G protein signaling and toll-like receptor cascaded were regulated by KCNKs family. Taken together, KCNKs may regulate breast cancer progression via modulating immune response which can serve as ideal prognostic biomarkers for breast cancer patients. Our study provides novel insight for future studies evaluating their usefulness as therapeutic targets.
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http://dx.doi.org/10.3389/fcell.2022.839986DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC9152175PMC
May 2022

Cancer Cell Membrane Labeling Fluorescent Doppelganger Enables In Situ Photoactivated Membrane Dynamics Tracking via Two-Photon Fluorescence Imaging Microscopy.

Anal Chem 2022 06 1;94(23):8373-8381. Epub 2022 Jun 1.

Hefei National Laboratory for Physical Science at Microscale, iChem, University of Science and Technology of China, Hefei230051, P. R. China.

Various suborganelles are delimited by lipid bilayers, in which high spatial and temporal morphological changes are essential to many physiological and pathological processes of cells. However, almost all the amphiphilic fluorescent molecules reported until now are not available for in situ precise tracking of membrane dynamics in cell apoptosis. Here, the MO (coumarin pyridine derivatives) was devised by engineering lipophilic coumarin and cationic pyridine salt, which not only lastingly anchored onto the plasma membrane in dark due to appropriate amphipathicity and electrostatic interactions but also in situ reflected the membrane damage and heterogeneity with secretion of extracellular vesicles (EVs) under reactive oxygen species regulation and was investigated by two-photon fluorescence lifetime imaging microscopy. This work opens up a new avenue for the development of plasma membrane staining and EV-based medicines for the early diagnosis and treatment of disease.
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http://dx.doi.org/10.1021/acs.analchem.2c00874DOI Listing
June 2022

Industrial-Current-Density CO-to-C Electroreduction by Anti-swelling Anion-Exchange Ionomer-Modified Oxide-Derived Cu Nanosheets.

J Am Chem Soc 2022 Jun 31;144(23):10446-10454. Epub 2022 May 31.

Hefei National Research Center for Physical Sciences at the Microscale, University of Science and Technology of China, Hefei 230026, China.

CO electroreduction to high-energy-density C products is highly attractive, whereas the C selectivity under industrial current densities is still unsatisfying. Here, an anti-swelling anion exchange ionomer (AEI) was first proposed to optimize the local environment for promoting industrial-current-density CO-to-C electroreduction. Taking the anti-swelling AEI-modified oxide-derived Cu nanosheets as an example, Raman spectroscopy and contact angle measurements revealed that the OH-accumulated -N(CH) groups and anti-swelling backbone of AEI could synergistically regulate the local pH level and water content. Fourier-transform infrared spectroscopy and theoretical calculations demonstrated that the higher local pH value could lower the energy barrier for the rate-limiting COCO* hydrogenated to COCOH* from 0.08 to 0.04 eV, thereby boosting the generation of C products. Owing to the anti-swelling backbone, the optimized water content of 3.5% could suppress the competing H evolution and hence facilitate the proton-electron transfer step for C production. As a result, the anti-swelling AEI-modified oxide-derived Cu nanosheets achieved a C Faradaic efficiency of 85.1% at a current density up to 800 mA cm with a half-cell power conversion efficiency exceeding 50%, outperforming most reported powder catalysts.
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http://dx.doi.org/10.1021/jacs.2c02594DOI Listing
June 2022

Phonon Symphony of Stacked Multilayers and Weak Bonds Lowers Lattice Thermal Conductivity.

Adv Mater 2022 Jul 19;34(30):e2202677. Epub 2022 Jun 19.

Hefei National Laboratory for Physical Sciences at the Microscale, University of Science and Technology of China, Hefei, Anhui, 230026, P. R. China.

Controlling lattice vibrations to obtain intrinsic low thermal conductivity play a critical role in thermal management of electronic and photonic devices, energy converters, and thermal insulation, which necessitates exploring new compounds and a thorough understanding of their chemical structure, bonding, and lattice dynamics. Herein, a new chalcogenide, Ga Cr Se , shows intrinsic low lattice thermal conductivity κ , which crystallizes in the monoclinic phase (C2/m) with the stacked inverse GaSe layers (g'), close-packed Cr Se layers (c), GaSe layers (g) and loosely-stacked Cr Se layers (c') along the c-axis. In this structure, a wide variety of chemical bonding is arranged in each layer, such as covalent Ga-Se, covalent Cr -Se, and weaker Cr -Se bonding, which endow it with a large phonon symphony by strong coupling of soft acoustic and low-lying optical phonons. As a result, Ga Cr Se realizes an intrinsic low κ of 0.79 W m  K at 323 K, which is almost four times, or twice lower than that of Cr Se (2.95 W m  K ), or Cr Se (1.56 W m  K ), Ga Se (1.36 W m K ) at 323 K, respectively. These insights will offer comprehensive understanding of the phonon propagation in complex layered chalcogenides, and also shed useful light on future design of low-κ solids.
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http://dx.doi.org/10.1002/adma.202202677DOI Listing
July 2022
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