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1.
Phys Chem Chem Phys ; 26(11): 9051-9059, 2024 Mar 13.
Article in English | MEDLINE | ID: mdl-38441317

ABSTRACT

Tuning the polarity of charge carriers at a single-molecular level is essential for designing complementary logic circuits in the field of molecular electronics. Herein, the transport properties of N-heterocyclic carbene (NHC)-linked single-molecule junctions are investigated using the ab initio quantum transport approach. The results reveal that the hydrogen atoms in NHCs function as a switch for regulating the polarity of charge carriers. Dehydrogenation changes the chemical nature of NHC anchors, thereby rendering holes as the major charge carriers rather than electrons. Essentially, dehydrogenation changes the anchoring group from electron-rich to electron-deficient. The electrons transferred to molecules from the electrodes raise the molecular level closer to the Fermi level, thus resulting in charge carrier polarity conversion. This conversion is influenced by the position and number of hydrogen atoms in the NHC anchors. To efficiently and decisively alter charge carrier polarity via atomic manipulation, a methyl substitution approach is developed and verified. These results confirm that atomic manipulation is a significant method for modulating the polarity of charge carriers in NHC-based single-molecule devices.

2.
Sensors (Basel) ; 24(9)2024 Apr 26.
Article in English | MEDLINE | ID: mdl-38732884

ABSTRACT

The performance of the tire has a very important impact on the safe driving of the car, and in the actual use of the tire, due to complex road conditions or use conditions, it will inevitably cause immeasurable wear, scratches and other damage. In order to effectively detect the damage existing in the key parts of the tire, a tire surface damage detection method based on image processing was proposed. In this method, the image of tire side is captured by camera first. Then, the collected images are preprocessed by optimizing the multi-scale bilateral filtering algorithm to enhance the detailed information of the damaged area, and the optimization effect is obvious. Thirdly, the image segmentation based on clustering algorithm is carried out. Finally, the Harris corner detection method is used to capture the "salt and pepper" corner of the target region, and the segmsegmed binary image is screened and matched based on histogram correlation, and the target region is finally obtained. The experimental results show that the similarity detection is accurate, and the damage area can meet the requirements of accurate identification.

3.
Zhong Nan Da Xue Xue Bao Yi Xue Ban ; 49(1): 68-74, 2024 Jan 28.
Article in English, Zh | MEDLINE | ID: mdl-38615168

ABSTRACT

OBJECTIVES: Migraine and tremor share some genetic mutation sites, and clinical studies have also confirmed their correlation. This study aims to explore the clinical and electrophysiological characteristics of migraine patients with concomitant tremor, and to analyze the relevant influential factors of tremor occurrence. METHODS: We retrospectively analyzed the clinical data of 217 migraine patients who visited the Third Affiliated Hospital of Qiqihar Medical University from June 2022 to October 2023. The Clinical Rating Scale for Tremor (CRST), Numerical Rating Scale (NRS), Generalized Anxiety Disorder-7 (GAD-7), and Patient Health Questionnaire-9 (PHQ-9) were respectively used to assess the tremor symptoms, degree of headache, anxiety, and depression of patients. All patients underwent routine head MR scanning and electromyography examination, and were divided into a migraine with tremor group and a migraine without tremor group based on the electromyogram examination. RESULTS: The migraine with tremor group and the migraine without tremor group were included 52 patients (23.96%) and 165 patients (76.04%), respectively. Compared with the migraine without tremor group, the migraine with tremor group had a longer course and duration of headache, higher frequency of headache attacks, higher NRS score, GAD-7 score, and PHQ-9 score, and fewer weekly physical exercises. The differences were statistically significant (all P<0.05). There were no statistically significant differences in the presence or absence of prodromal headache and white matter hyperintensities (WMHs) between the 2 groups (both P>0.05). The evaluation results of the CRST showed that out of 217 migraine patients, 39 patients (17.97%) were accompanied by tremors. The electromyographic results showed that all 52 migraine patients with tremors had upper limb tremors, including 28 migraine patients with postural tremors and 24 migraine patients with static tremors. Compared with the migraine patients with static tremors, the migraine patients with postural tremors had lower average frequency, peak frequency, and headache onset frequency (all P<0.05). Multiple linear regression analysis showed that frequency of physical exercise, duration of illness, frequency of headache attacks, NRS score, GAD-7 score, and PHQ-9 score were risk factors for migraine patients with concomitant tremors (all P<0.05). CONCLUSIONS: Patients with migraine mainly experience upper limb postural tremors. Reduced physical exercise, long course of disease, long duration of headache, frequent headache attacks, severe headache, anxiety, and depression are risk factors for migraine patients with concomitant tremors.


Subject(s)
Migraine Disorders , Tremor , Humans , Tremor/complications , Tremor/epidemiology , Retrospective Studies , Migraine Disorders/complications , Migraine Disorders/epidemiology , Headache , Anxiety/complications , Anxiety/epidemiology
4.
Arch Virol ; 168(4): 113, 2023 Mar 15.
Article in English | MEDLINE | ID: mdl-36920600

ABSTRACT

Hepatitis C virus (HCV) infection causes abnormal lipid metabolism in hepatocytes, which leads to hepatic steatosis and even hepatocellular carcinoma. HCV nonstructural protein 4B (NS4B) has been reported to induce lipogenesis, but the underlying mechanism is unclear. In this study, western blots were performed to investigate the effect of NS4B protein levels on key effectors of the Hippo and AKT signaling pathways. Yes-associated protein (YAP) and moesin-ezrin-radixin-like protein (Merlin) are effectors of the Hippo pathway. NS4B downregulated Merlin and phosphorylated YAP (p-YAP) protein expression while increasing the expression of the key AKT pathway proteins p-AKT and NF-κB. By observing the levels of AKT pathway proteins when Merlin was overexpressed or silenced, it was determined that Merlin mediates the AKT pathway. We suggest that HCV NS4B may mediate the AKT signaling pathway by inhibiting the Hippo pathway. Lipid droplets were observed in Huh7.5 cells overexpressing NS4B, and they increased significantly in number when Merlin was silenced. Overexpression of NS4B and Merlin silencing enhanced the expression of sterol regulatory element binding proteins (SREBPs), which have been demonstrated to be key regulatory factors controlling fatty acid synthesis. NS4B and Merlin silencing also enhanced the in vitro proliferative capacity of hepatocellular carcinoma cells. In conclusion, NS4B induces lipogenesis via the effect of the Hippo-YAP pathway on the AKT signaling pathway and thereby plays a significant role in the pathogenesis of HCV-associated diseases.


Subject(s)
Carcinoma, Hepatocellular , Hepatitis C , Liver Neoplasms , Humans , Hepacivirus/genetics , Hepacivirus/metabolism , Hippo Signaling Pathway , Lipogenesis , Neurofibromin 2/metabolism , Proto-Oncogene Proteins c-akt/genetics , Proto-Oncogene Proteins c-akt/metabolism , Carcinoma, Hepatocellular/genetics , Viral Nonstructural Proteins/genetics , Viral Nonstructural Proteins/metabolism , Hepatitis C/genetics , Hepatitis C/metabolism
5.
Phys Chem Chem Phys ; 25(19): 13673-13682, 2023 May 17.
Article in English | MEDLINE | ID: mdl-37158005

ABSTRACT

The understanding of the interfacial effect on charge transport is essential in single-molecule electronics. In this study, we elucidated the transport properties of molecular junctions comprising thiol-terminated oligosilane with three to eight Si atoms and two types of Ag/Au electrode materials employing different interfacial configurations. First-principles quantum transport calculations demonstrated that the interfacial configuration determines the relative magnitude of the current between the Ag and Au electrodes, wherein the Ag monoatomic contact configuration presented a larger current than did the Au double-atom configuration. Further, the mechanism of electron tunneling from the interfacial states through the central σ channel was revealed. In contrast to Au double-atom electrodes, Ag monoatomic electrodes exhibit a higher current due to the presence of Ag-S interfacial states closer to the Fermi level. Our findings show that the interfacial configuration is a plausible way to generate the relative magnitude of current of thiol-terminated oligosilane molecular junctions with Au/Ag electrodes and provide further insight into the interfacial effect on the transport properties.

6.
Phys Chem Chem Phys ; 26(1): 412-420, 2023 Dec 21.
Article in English | MEDLINE | ID: mdl-38078489

ABSTRACT

Recently, MXenes, an emerging family of two-dimensional (2D) materials, have attracted increasing interest for photocatalytic water splitting due to their various excellent physical and chemical properties, such as large specific surface area, good hydrophilicity, and remarkable light absorption ability. However, the photocatalysts of MXenes with symmetric structures are limited by rapid recombination of photo-generated carriers and the prerequisite of a large band gap no less than 1.23 eV. Differently, Janus MXenes with different surface functional groups facilitate the separation of photo-generated electrons and holes with the help of the intrinsic electric field. And, at the same time, there is no prerequisite for the band gap of Janus MXene photocatalysts as long as they possess appropriate band edge positions. Here, we explored the structural, electronic and photocatalytic water splitting properties of symmetric Y2CT2 and Janus Y2CTT' MXenes (T, T' = H, F, Cl, OH) using the density functional theory (DFT) method. Our calculations show that all the investigated Y2CT2 are not suitable photocatalysts for photocatalytic water splitting at all pH values (pH = 0, 7, and 14). In contrast, all the investigated Janus Y2CTT' MXenes are good water splitting photocatalysts with high optical absorption coefficients and remarkable solar-to-hydrogen (STH) efficiencies larger than 18% at pH = 14. Moreover, the STH efficiencies are larger than 18% even at all investigated pH values for Y2CHCl (18.5-22.6%), Y2 CFCl (∼18.7%), and Y2 C(OH)Cl (∼19.4%). Based on the first-principles calculations, we here for the first time propose an easy strategy to design Janus MXene photocatalyst candidates with possible high STH efficiency according to the electronic properties of their symmetric counterparts. Our study is helpful for the future design of Janus MXenes and more generally Janus 2D photocatalysts for water splitting with high STH efficiency.

7.
Phys Chem Chem Phys ; 25(4): 2926-2934, 2023 Jan 27.
Article in English | MEDLINE | ID: mdl-36606421

ABSTRACT

Carbon nanotubes (CNTs) are considered to be promising candidates for fabricating nanowires, due to their stable quasi-one-dimensional structure. Controlling the electronic transport properties is one of the most vital issues for molecular nanowires. Herein, using density functional theory combined with nonequilibrium Green's function method, we systematically investigate the current evolution of (4, 4) single-walled CNT based nanowires in squashing processes. When the CNTs are squashed by applying different pressure along the radial direction, a negative correlation can be found between the electrical conductance of the nanowire and the pressure. Besides, the response of the nano junction current to pressure is influenced by the squashing direction. Not only does the geometric structure show symmetry breaking in the specific squashing direction, which causes the CNT electrodes to change from conductors to semiconductors, but also obvious π stacking behavior can be witnessed in this squashing direction. More intriguingly, because the current of the nano junction can be completely cut off by squashing the CNTs, a significant switching behavior with the on/off ratio of up to 103 is obtained at low bias voltages. The underlying mechanisms for these phenomena are revealed by the analysis of the band structures, transmission spectra, frontier molecular orbitals and transmission pathways. These electronic transport properties make CNT a promising candidate for realizing conductance controllable nano devices.

8.
Phys Chem Chem Phys ; 25(16): 11545-11554, 2023 Apr 26.
Article in English | MEDLINE | ID: mdl-37039540

ABSTRACT

Monolayer (ML) PtSe2 is a two-dimensional (2D) semiconductor with a modest band gap and high carrier mobility, and it is a promising 2D material for electronic devices. Finding suitable metal electrodes is a key factor in fabricating high-performance PtSe2 field effect transistors (FETs). In this study, a series of 2D metals, transition metal dichalcogenides (NbSe2, TaS2), borophene, and MXenes (V2C(OH)2, V2CF2, Nb2C(OH)2, Nb2CF2, Nb2CO2, Hf2C(OH)2, Hf2CF2) were used as electrodes for FET fabrication. The interfacial electronic properties of electrodes and PtSe2 were studied in both the vertical and lateral directions using the ab initio method. In the vertical direction, PtSe2 formed ohmic contacts with most of the 2D metals except for Nb2CF2 and Hf2CF2. Specifically, in the cases of Nb2CF2 and Hf2CF2, p- and n-type Schottky contacts were formed with Schottky barrier heights (SBHs) of 0.48 eV and 0.02 eV, respectively. In the lateral direction, PtSe2 with contacting Hf2CF2 and V2C(OH)2 electrodes formed n-type Schottky contacts with SBHs of 0.14 eV and 0.09 eV, respectively. In the cases of TaS2 and Nb2CF2 electrodes, p-type Schottky contacts with SBHs of 0.35 eV and 0.29 eV, respectively, were formed. Moreover, n-type ohmic contacts were observed when Hf2C(OH)2 and Nb2C(OH)2 electrodes were applied, and p-type ohmic contacts were formed when borophene, NbSe2, Nb2CO2, and V2CF2 electrodes were used. This work reports a systematic investigation of ML PtSe2-2D metal interfaces and serves as a practical guide for selecting electrode materials for PtSe2 FETs.

9.
Phys Chem Chem Phys ; 25(38): 26270-26277, 2023 Oct 04.
Article in English | MEDLINE | ID: mdl-37743842

ABSTRACT

We study the regulation of the electronic and spin transport properties of the WGe2N4 monolayer by adsorbing 4d transition metal atoms (Y-Cd) using density functional theory combined with non-equilibrium Green's function. It is found that the adsorption of transition metal atoms (except Pd, Ag and Cd atoms) can introduce a magnetic moment into the WGe2N4 monolayer. Among the transition metal atoms, the adsorption of Nb and Rh atoms transforms WGe2N4 from a semiconductor to a half-metal and a highly spin-polarized semiconductor, respectively. The half-metallic Nb-adsorbed WGe2N4 system is selected to investigate the spin transport properties, and a high magnetoresistance ratio of 107% is achieved. In both parallel and antiparallel magnetization configurations, the spin filtering efficiency reaches close to 100% in the whole bias range, and the antiparallel magnetization configuration exhibits a dual spin filtering effect with a rectification ratio of up to 104. Our study predicts that the adsorption of 4d transition metal heteroatoms is an effective method to regulate the electronic and magnetic properties of WGe2N4 towards high-performance spintronic devices.

10.
Zhonghua Nan Ke Xue ; 29(6): 505-510, 2023 Jun.
Article in Zh | MEDLINE | ID: mdl-38602722

ABSTRACT

OBJECTIVE: Exploring the libido status of male chronic headache patients and analyzing its relationship with headache symptoms, sleep, anxiety, and depression, providing reference for the comprehensive treatment of male chronic headache. METHODS: 179 patients with chronic headache who visited the Third Affiliated Hospital of Qiqihar Medical College from January 2022 to February 2023 were selected. The male Self Rated Libido Scale , Visual Analog Scale for Pain, Migraine Disability Assessment Scale, Pittsburgh Sleep Quality Index, Generalized Anxiety Disorder Scale-7, and Patient Health Questionnaire-9 were used to evaluate the libido status, headache severity, disability level, sleep quality, anxiety, and depression of the research subjects, respectively. RESULTS: Among 179 male chronic headache patients, 97 were chronic migraine (CM) patients and 82 were chronic tension type (CTT) patients, and 47 were screened for low libido. The influencing factors of libido in male chronic headache patients include age, smoking, frequency of exercise, course of disease, severity of pain, frequency of headache, disability score, sleep quality, anxiety and depression (all P<0.05). Compared with male CTT patients, male CM patients have higher pain severity, headache frequency, disability score, and anxiety score, while lower libido score (all P<0.05). The results of multivariate analysis showed that age, frequency of exercise, course of disease, severity of pain, frequency of headache, degree of disability, sleep quality, anxiety, and depression were the influencing factors for the decline of libido in male chronic headache patients. CONCLUSION: It is common for male chronic headache patients to experience decreased libido, with male chronic migraine (CM) patients exhibiting more severe reductions. Advanced age, decreased physical activity, longer disease duration, severe pain intensity, frequent headaches, higher disability levels, poor sleep, anxiety, and depression are risk factors for decreased libido in male chronic headache patients.


Subject(s)
Headache Disorders , Migraine Disorders , Humans , Male , Cross-Sectional Studies , Libido , Headache Disorders/epidemiology , Risk Factors , Headache , Pain
11.
Phys Chem Chem Phys ; 24(3): 1849-1859, 2022 Jan 19.
Article in English | MEDLINE | ID: mdl-34988568

ABSTRACT

The spin-resolved transport properties of molecular logic devices composed of two Mn porphyrin molecules connected to each other via a six-carbon atomic chain were studied using the non-equilibrium Green's function combined with density functional theory. The molecules were symmetrically connected to armchair graphene nanoribbon electrodes through four-carbon atomic chains on the left- and right-hand sides. Our calculations revealed that the spin-resolved current-voltage curves depend on the initial spin setting of the transition metal Mn atoms and carbon atoms on the zigzag edges where the electrodes come in contact with the molecule. By simultaneously regulating the spin orientations of the intermediate functional molecules and the zigzag edges of the armchair graphene nanoribbon electrodes, seven spin polarization configurations were obtained. These configurations were examined in this study considering the spin-related symmetry of molecular junctions. By meticulously selecting different combinations according to the specific input and output signals, YES, NOT, OR, NOR, and XOR multifarious spin logic devices were created. The findings of this study are expected to contribute toward the extension of molecular junction functions in future spintronic integrated circuit design and further miniaturization.

12.
Phys Chem Chem Phys ; 24(47): 29057-29063, 2022 Dec 07.
Article in English | MEDLINE | ID: mdl-36437710

ABSTRACT

Diodes have been widely studied as one of the most commonly used electronic components in circuits, and it is important to find diodes with an excellent rectification performance. Herein, we investigate the electronic and transport properties of Schottky contact diodes based on zigzag hydrogenated blue phosphorene nanoribbons, by employing density functional theory combined with the non-equilibrium Green's function. It is found that the adsorption of transition metal atoms Sc/Cr/Ti and Ni on the top site of blue phosphorene nanoribbons leads to metallic and semiconducting properties, respectively. Devices consisting of the planar contact of the metallic and semiconducting nanoribbons show rectifying behavior due to the Schottky barriers of the homojunctions. The current is preferential to flow from the semiconducting side to the metallic side. The rectification ratio of the Sc-Ni device and the Cr-Ni device can reach up to 108, which is much higher than that of traditional p-n junctions of about 105-107. The high rectification ratio at low bias regions, together with the low threshold voltages and negligible reverse currents, make blue phosphorene nanoribbon homojunctions ideal rectifier diodes.

13.
J Biochem Mol Toxicol ; 36(10): e23154, 2022 Oct.
Article in English | MEDLINE | ID: mdl-35734936

ABSTRACT

Statins are widely used lipid-lowering drugs that cause many side effects. Withaferin-A (WA), popularly known as Ashwagandha, an ancient Indian medicinal herb, is extracted from Withania somnifera. Anti-atherosclerotic effect of WA has been reported. However, the mechanism remains unknown. Hence, we planned this study to investigate the WA mechanism in anti-atherosclerosis in a rat model. High cholesterol diet (HCD) was fed to induce atherosclerosis in Sprague-Dawley male rats. Five groups (N = 6 rats/group) were fed with normal diet, HCD, WA (10 mg/kg bw)+HCD, lovastatin (LS: 10 mg/kg bw)+HCD, WA (10 mg/kg bw) respectively for 90 days. Statistical analysis was done by GraphPad Prism (version 8.0.1) using one-way analysis of variance (ANOVA) followed by post hoc Duncan's test with a significance level (p < 0.05). The groups were compared for lipid profiles, oxidative stress, lipid peroxidation, inflammatory mediators, apoptotic markers, and histopathological changes in the liver and aorta. Treatment with HCD increased lipid profiles, inflammatory mediators, cytokines, and lipid peroxidation. WA as well as LS treatments significantly decreased these parameters restored the antioxidant status, and reduced lipid peroxidation (p < 0.05). Histopathological studies revealed that WA and LS reduced the hepatic fat and aortic plaque. WA reduced apoptosis via augmentation of phosphatidylinositol 3-kinase (PI3K)/protein kinase B (Akt) pathway; increased B-cell lymphoma 2 and inhibited Bcl-2 associated X-protein proapoptotic proteins; TNF receptor superfamily member 6, Bim, caspase-3, and -9; demonstrated significant hypolipidemic and anti-inflammatory properties against HCD induced atherosclerosis in rats through regulation of inflammatory mediators and apoptosis via the PI3K/AKT signaling pathway.


Subject(s)
Atherosclerosis , Hydroxymethylglutaryl-CoA Reductase Inhibitors , Hypercholesterolemia , Animals , Anti-Inflammatory Agents/pharmacology , Antioxidants/metabolism , Apoptosis , Atherosclerosis/drug therapy , Caspase 3/metabolism , Cholesterol , Cytokines/metabolism , Hydroxymethylglutaryl-CoA Reductase Inhibitors/pharmacology , Hypercholesterolemia/drug therapy , Inflammation Mediators/metabolism , Lovastatin , Male , Oxidative Stress , Phosphatidylinositol 3-Kinases/metabolism , Proto-Oncogene Proteins c-akt/metabolism , Proto-Oncogene Proteins c-bcl-2/metabolism , Rats , Rats, Sprague-Dawley , Receptors, Tumor Necrosis Factor/metabolism , Signal Transduction
14.
Zhongguo Zhong Yao Za Zhi ; 47(6): 1618-1624, 2022 Mar.
Article in Zh | MEDLINE | ID: mdl-35347961

ABSTRACT

Aconiti Kusnezoffii Radix Cocta is one of the most commonly used medicinal materials in Mongolian medicine. Due to the strong toxicity of Aconiti Kusnezoffii Radix Cocta, Mongolian medicine often uses Chebulae Fructus, Glycyrrhizae Radix et Rhizoma to reduce the toxicity, so as to ensure the curative effect of Aconiti Kusnezoffii Radix Cocta while ensuring its clinical curative effect, but the mechanism is not clear. The aim of this study was to investigate the effects of Chebulae Fructus, Glycyrrhizae Radix et Rhizoma and Aconiti Kusnezoffii Radix Cocta on the mRNA transcription and protein translation of cytochrome P450(CYP450) in the liver of normal rats. Male SD rats were randomly divided into negative control(NC) group, phenobarbital(PB) group(0.08 g·kg~(-1)·d~(-1)), Chebulae Fructus group(0.254 2 g·kg~(-1)·d~(-1)), Glycyrrhizae Radix et Rhizoma group(0.254 2 g·kg~(-1)·d~(-1)), Aconiti Kusnezoffii Radix Cocta group(0.254 2 g·kg~(-1)·d~(-1))and compatibility group(0.254 2 g·kg~(-1)·d~(-1),taking Aconiti Kusnezoffii Radix Cocta as the standard). After continuous administration for 8 days, the activities of total bile acid(TBA), alkaline phosphatase(ALP), amino-transferase(ALT) and aspartate aminotransferase(AST)in serum were detected, the pathological changes of liver tissue were observed, and the mRNA and protein expression levels of CYP1 A2, CYP2 C11 and CYP3 A1 were observed. Compared with the NC group, the serum ALP, ALT and AST activities in the Aconiti Kusnezoffii Radix Cocta group were significantly increased, and the ALP, ALT and AST activities were decreased after compatibility. At the same time, compatibility could reduce the liver injury caused by Aconiti Kusnezoffii Radix Cocta. The results showed that Aconiti Kusnezoffii Radix Cocta could inhibit the expression of CYP1 A2, CYP2 C11 and CYP3 A1, and could up-regulate the expression of CYP1 A2, CYP2 C11 and CYP3 A1 when combined with Chebulae Fructus and Glycyrrhizae Radix et Rhizoma. The level of translation was consistent with that of transcription. The compatibility of Chebulae Fructus and Glycyrrhizae Radix et Rhizoma with Aconiti Kusnezoffii Radix Cocta could up-regulate the expression of CYP450 enzyme, reduce the accumulation time of aconitine in vivo, and play a role in reducing toxicity, and this effect may start from gene transcription.


Subject(s)
Cytochrome P-450 Enzyme System , Liver , Animals , Cytochrome P-450 Enzyme System/genetics , Drugs, Chinese Herbal , Glycyrrhiza , Male , Plant Extracts , Rats , Rats, Sprague-Dawley , Terminalia
15.
BMC Cancer ; 21(1): 1188, 2021 Nov 07.
Article in English | MEDLINE | ID: mdl-34743685

ABSTRACT

BACKGROUND: In recent years, gene expression-based analysis has been used for disease biomarker discovery, providing ways for better diagnosis, leading to improvement of clinical treatment efficacy. This study aimed to explore the role of miR-16-5p and ANLN in breast cancer (BC). METHODS: Cohort datasets of BC were obtained from the Gene Expression Omnibus (GEO) and the Cancer Genome Atlas (TCGA) and analyzed by bioinformatics tools. qRT-PCR and western blotting were applied to validate ANLN and its protein expression. A dual-luciferase reporter assay was used to prove the regulatory relationship of miR-16-5p and ANLN. Finally, MTT, wound healing, Transwell invasion and flow cytometry analyses of the cell cycle and apoptosis were performed to assess cell proliferation, migration, invasion, cell cycle and apoptosis, respectively. RESULTS: A total of 195 differentially expressed genes (DEGs) and 50 overlapping microRNAs (miRNAs) were identified. Among these DEGs and miRNAs, ANLN, associated with poor overall survival in BC, overlapped in the GSE29431, GSE42568, TCGA and GEPIA2 databases. Moreover, ANLN was highly expressed, while miR-16-5p was lower in BC cells than in breast epithelial cells. Then, we confirmed that ANLN was directly targeted by miR-16-5p in BC cells. Over-expression of miR-16-5p and knock-down of ANLN remarkably inhibited cell proliferation and migration as well as cell invasion, arrested the cells in G2/M phase and induced apoptosis in BC cells. CONCLUSIONS: These findings suggest that miR-16-5p restrains proliferation, migration and invasion while affecting cell cycle and promotes apoptosis by regulating ANLN, thereby providing novel candidate biomarkers for the diagnosis and treatment of BC.


Subject(s)
Breast Neoplasms/metabolism , Cell Proliferation , MicroRNAs/metabolism , Microfilament Proteins/metabolism , Apoptosis/genetics , Breast/metabolism , Breast/pathology , Breast Neoplasms/genetics , Breast Neoplasms/mortality , Breast Neoplasms/pathology , Cell Line, Tumor , Cell Movement/genetics , Cell Proliferation/genetics , Databases, Genetic , Female , G2 Phase Cell Cycle Checkpoints , Gene Expression , Humans , M Phase Cell Cycle Checkpoints , Microfilament Proteins/genetics , Neoplasm Invasiveness/genetics , Prognosis , Up-Regulation
16.
Phys Chem Chem Phys ; 23(11): 6791-6799, 2021 Mar 21.
Article in English | MEDLINE | ID: mdl-33721008

ABSTRACT

The successful synthesis of a 1T'/2H MoS2 heterophase bilayer offers potential building blocks for constructing novel nanoelectronic and optoelectronic devices. Here, first principles calculations are applied to explore and modulate its contact nature. The calculated results show a finite Schottky barrier of ∼0.56 eV, and a dominant tunneling barrier of ∼2 eV exists at the contact interface of the 1T'/2H MoS2 heterophase bilayer. The Schottky barrier can be eliminated by adatoms and strains. Although the two strategies have an insignificant effect on the dominant tunneling barrier, they alter the regions with local potentials lower than that of the inter-layer gap related barrier.

17.
Phys Chem Chem Phys ; 23(34): 18760-18769, 2021 Sep 14.
Article in English | MEDLINE | ID: mdl-34612414

ABSTRACT

In this study, using the first-principles method, we theoretically investigated the spin-dependent transport properties of a phthalocyanine (Pc) molecule, which is sandwiched between two zigzag-edged graphene nanoribbon (zGNR) electrodes. Owing to the spatial symmetry of the Pc molecule and spin splitting of zGNRs around Fermi energy, perfect spin filtering behavior is observed in designed molecular junctions. Meanwhile, the spin of electrons allowed through the device is right opposite to the spin polarization of zGNR electrodes. Further studies show that the spin filtering performance can be largely modulated by insetting different transition metal atoms (TM = Mn or Cr) into the central Pc molecule, and changing the spin-polarized direction of the TM atom leads to the spin filtering direction inversion. More intriguingly, the antiparallel magnetic configuration of two zGNR electrodes gives rise to the control of the conducting channel by bias polarization, which eventually leads to remarkable spin rectifying and giant magnetoresistance behaviors in transition metal phthalocyanine (TMPc) molecular junctions. The corresponding mechanisms are revealed by an analysis of spin-resolved transmission spectra, molecular projected self-consistent Hamiltonian and a projected density of states. These results are helpful in the design of TMPc-based multifunctional spin molecular devices.

18.
Biol Pharm Bull ; 44(8): 1093-1100, 2021.
Article in English | MEDLINE | ID: mdl-34334495

ABSTRACT

Hydrogen sulfide (H2S), an important gaseous messenger, is known to have neuroprotective effects in many neurological disorders. This study examined the neuroprotective effects and the associated mechanisms of H2S in the model Sprague-Dawley (SD) rats with spinal cord injury (SCI). We found that H2S showed neuroprotective effects in SCI model rats, improved the symptoms of neurological impairment, reduced the secretion of inflammatory factors, nerve cell apoptosis, and endoplasmic reticulum (ER), and oxidative stresses. Moreover, these effects were produced by activation of nuclear factor-erythroid 2-related factor 2 (Nrf2) protein. Our results suggest that H2S supplementation could be a potential therapeutic strategy to promote SCI recovery.


Subject(s)
Endoplasmic Reticulum Stress/drug effects , Hydrogen Sulfide/pharmacology , Inflammation , NF-E2-Related Factor 2/metabolism , Neuroprotective Agents/pharmacology , Oxidative Stress/drug effects , Spinal Cord Injuries/metabolism , Animals , Apoptosis , Disease Models, Animal , Hydrogen Sulfide/therapeutic use , Inflammation/prevention & control , Male , Neuroprotective Agents/therapeutic use , Rats, Sprague-Dawley , Signal Transduction , Spinal Cord Injuries/drug therapy , Spinal Cord Injuries/pathology
19.
Nano Lett ; 20(7): 5275-5283, 2020 07 08.
Article in English | MEDLINE | ID: mdl-32421336

ABSTRACT

In this work, we proposed a carry-on nitric-oxide (NO) luggage strategy for enhanced chemotherapeutic efficacy. A stimuli-responsive NO-releasing polypeptide was prepared as the building block to assemble into a micelle as a chemodrug-carrier. The micelle was anchored with cRGD peptide with the aim of targeting to tumors' neoangiogenesis. In situ generation of NO at the tumor site can promote the neovascularization to recruit more chemotherapeutics. Besides, the introduced exogenous NO can directly induce apoptosis, synergistically with the chemotherapeutics. A specific near-infrared-region (NIR) NO-probe was also developed to be coloaded to the micelle to report the in situ NO-release. In vitro and in vivo experiments were performed to demonstrate the targeting capability, increased accumulation, real-time NO-release reporting phenomenon, improved antitumor efficacy, and favorable biosafety. Embedding NO into drug cargo as carry-on luggage for enhanced chemotherapeutic efficacy, hopefully, can cast new lights and build a basic principle in the future clinical translation of nanomedicines.


Subject(s)
Neoplasms , Nitric Oxide , Cell Line, Tumor , Doxorubicin/therapeutic use , Drug Delivery Systems , Humans , Micelles , Nanomedicine , Neoplasms/drug therapy
20.
FASEB J ; 33(4): 5350-5365, 2019 04.
Article in English | MEDLINE | ID: mdl-30768358

ABSTRACT

Currently, cisplatin (DDP) is the first-line chemotherapeutic agent used for treatment of ovarian cancer, but gradually acquired drug resistance minimizes its therapeutic outcomes. We aimed to identify crucial genes associated with DDP resistance in ovarian cancer and uncover potential mechanisms. Two sets of gene expression data were downloaded from Gene Expression Omnibus, and bioinformatics analysis was conducted. In our study, the differentially expressed genes between DDP-sensitive and DDP-resistant ovarian cancer were screened in GSE15709 and GSE51373 database, and chromosome condensation 2 regulator (RCC2) and nucleoporin 160 were identified as 2 genes that significantly up-regulated in DDP-resistant ovarian cancer cell lines compared with DDP-sensitive cell lines. Moreover, RCC2, Ral small GTPase (RalA), and Ral binding protein-1 (RalBP1) expression was found to be significantly higher in DDP-resistant ovarian cancer tissues than in DDP-sensitive tissues. RCC2 plays a positive role in cell proliferation, apoptosis, and migration in DDP-resistant ovarian cancer cell lines in vitro and in vivo. Furthermore, RCC2 could interact with RalA, thus promoting its downstream effector RalBP1. RalA knockdown could reverse the effects of RCC2 overexpression on DDP-resistant ovarian cancer cell proliferation, apoptosis, and migration. Similarly, RalA overexpression could alleviate the effects of RCC2 knockdown in DDP-resistant ovarian cancer cells. Taken together, RCC2 may function as an oncogene, regulating the RalA signaling pathway, and intervention of RCC2 expression might be a promising therapeutic strategy for DDP-resistant ovarian cancer.-Gong, S., Chen, Y., Meng, F., Zhang, Y., Wu, H., Li, C., Zhang, G. RCC2, a regulator of the RalA signaling pathway, is identified as a novel therapeutic target in cisplatin-resistant ovarian cancer.


Subject(s)
Chromosomal Proteins, Non-Histone/metabolism , Cisplatin/therapeutic use , Guanine Nucleotide Exchange Factors/metabolism , Nuclear Pore Complex Proteins/metabolism , Ovarian Neoplasms/metabolism , Signal Transduction/drug effects , Animals , Antineoplastic Agents/therapeutic use , Apoptosis/drug effects , Blotting, Western , Cell Line, Tumor , Chromosomal Proteins, Non-Histone/genetics , Computational Biology , Female , Guanine Nucleotide Exchange Factors/genetics , HEK293 Cells , Humans , Immunoprecipitation , Mice , Nuclear Pore Complex Proteins/genetics , Ovarian Neoplasms/drug therapy , Real-Time Polymerase Chain Reaction
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