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1.
Chem Commun (Camb) ; 56(22): 3325-3328, 2020 Mar 18.
Artigo em Inglês | MEDLINE | ID: mdl-32083264

RESUMO

The first coordination disk-type nano-Saturn complexes, [Cu10(Mim)10]⊃C60 and [Cu10(Mim)10]⊃C70 (Mim = 2-methylimidazolate), were assembled under one-pot solvothermal conditions. The highest number of 30 C-Hπ interactions between the [Cu10(Mim)10] disk and the C60/C70 surfaces drives the formation of the nano-Saturns. The calculated interaction energy is much larger than that of most of the reported disk-type nano-Saturns. Different photoinduced charge/energy transfer mechanisms are present for both nano-Saturn systems to quench the intrinsic luminescence of the [Cu10(Mim)10] disk.

2.
Neurobiol Dis ; 134: 104648, 2020 Feb.
Artigo em Inglês | MEDLINE | ID: mdl-31676238

RESUMO

Accumulation of DNA damage has been detected in the spinal cord of patients as well as in the G93A mouse model of amyotrophic lateral sclerosis (ALS). Wild-type p53-induced phosphatase 1 (Wip1) is a p53-inducible serine/threonine phosphatase that terminates DNA-damage responses via dephosphorylation of DNA-damage response proteins, namely ataxia-telangiectasia mutated (ATM) kinase, checkpoint kinase 2, and p53, thus enhancing cell proliferation. However, the role of Wip1, DNA-damage responses, and their interaction in ALS development remains to be elucidated. Here, we showed that Wip1 expression levels were substantially decreased in ALS motor neurons compared with wild-type controls both in vivo and in vitro. The DNA-damage response was activated in superoxide dismutase 1 (SOD1) G93A-transfected cells. However, increased expression of Wip1 improved cell viability and inhibited the DNA-damage response in mutated SOD1G93A cells. Further studies demonstrated that decreased Wip1 expression reduced cell viability and further activated the DNA-damage response in chronic H2O2-treated NSC34 cells. In contrast, Wip1 promoted cell survival and suppressed DNA damage-induced apoptosis during persistent DNA damage conditions. Over-expression of Wip1 in the central nervous system (CNS) can delay the onset of disease symptoms, extended the survival, decreased MN loss improved motor function and inhibit the DNA-damage response in SOD1 G93A mice. Furthermore, homeodomain-interacting protein kinase 2 (HIPK2) promoted the degradation of Wip1 via the ubiquitin-proteasome system during chronic stress. These findings indicate that persistent accumulation of DNA damage and subsequent chronic activation of the downstream DNA damage-response ATM and p53 pro-apoptotic signaling pathways may trigger neuronal dysfunction and neuronal death in ALS. Wip1 may play a protective role by targeting the DNA-damage response in ALS motor neurons. Importantly, these findings provide a novel direction for therapeutic options for patients with ALS.

3.
Anal Chem ; 92(1): 397-430, 2020 Jan 07.
Artigo em Inglês | MEDLINE | ID: mdl-31665884
4.
Huan Jing Ke Xue ; 40(7): 3208-3215, 2019 Jul 08.
Artigo em Chinês | MEDLINE | ID: mdl-31854720

RESUMO

To study the effect of on-line NaClO backwashing on the microbial community structure of membrane bioreactor (MBR) systems, a reversed A2O-MBR reactor was used to monitor system performance, membrane fouling, and microbial community structure. Measurements were made during the stabilization stage, the on-line pure water backwashing stage, and the on-line NaClO backwashing stage. The results showed that key system performance indicators during NaClO backwashing stage, such as COD, ammonia nitrogen, and TN treatment efficiency, were similar to previous stages. The average membrane fouling rate during the on-line pure water backwashing period was lower than that of the stable stage, while the membrane fouling rate increased during the on-line NaClO backwashing stage, and EPS concentration was the highest and membrane fouling was aggravated. The results of the Chao index, Simpson index, and Shannon index showed that the microbial diversity in the aerobic tank sludge remained almost stable after on-line NaClO backwashing, while the abundance of cake layer sludge increased slightly, but the microbial diversity decreased significantly. Proteobacteria was the main microbial phylum in both the aerobic tank and cake layer sludge, followed by Bacteroidetes. After on-line NaClO backwashing, the relative abundance of Proteobacteria and Bacteroides in the aerobic tank sludge did not change notably, but the composition of filter cake sludge changed significantly. Proteobacteria that possess resistance to chlorine disinfectant increased from 53.4% to 77.8%, while Bacteroides decreased from 33.44% to 14.5%. After on-line NaClO backwashing, the composition of the microbial community in aerobic tank and cake layer was similar. Azospira and Comamonadaceaea also increased significantly after NaClO backwashing. Microbial species that can tolerate NaClO treatment may be the main cause of membrane fouling.


Assuntos
Bacteroidetes , Reatores Biológicos/microbiologia , Proteobactérias , Hipoclorito de Sódio/química , Membranas Artificiais , Nitrogênio , Esgotos/microbiologia
5.
Huan Jing Ke Xue ; 40(10): 4691-4699, 2019 Oct 08.
Artigo em Chinês | MEDLINE | ID: mdl-31854840

RESUMO

An incubated study was conducted to explore the effect of different manure application dosages (0%, 1%, 2%, and 4%, referred to as T0, T1, T2, and T4, respectively) on dynamic changes in the organic carbon fraction and aggregate stability of soil under different incubation times (120, 180, 240, 300, and 360 days). Soil organic carbon (SOC) and its fractions, such as light fraction organic carbon (LFOC), and polysaccharides, cellulose, water-soluble substance (WSS), fulvic acid carbon (FAC), humic acid carbon (HAC) content, and aggregate stability were measured. The results showed that SOC and its fractions were increased with increasing manure application rates. The SOC, LFOC, polysaccharides, cellulose, WSS, FAC, HAC contents and the HAC/FAC ratio increased by 15.3%-83.2%, 6.8-15.9 times, 8.5%-46.4%, 39.3%-122.6%, 35.7%-112.9%, 3.3%-46.9%, 42.5%-88.3%, and 28.5%-38.6% under T1-T4 treatments, respectively, compared to the T0 treatment at the end of the incubation period. With a longer period of incubation, the contents of SOC and HAC showed a decreasing trend, the LFOC increased first and decreased. The FAC content and the HAC/FAC ratio showed a fluctuation trend, but the content of polysaccharides showed an increasing trend. The application of manure decreased the content of >2 mm mechanically stable aggregates but increased the content of > 0.25 mm water stable aggregates in the soil. The mean weight diameter of water stable aggregate (WMWD) increased by 58.6%, while by the end of the incubation period, the percentage aggregate destruction rate (PAD) decreased by 22.2% under the T4 treatment compared to the T0 treatment. Correlation analysis showed that there was a significant correlation between SOC and its fractions, and between organic carbon fractions (except polysaccharides) and aggregate stability. Path analysis showed that the content of HAC and > 2 mm mechanically stable aggregate had a significant direct impact on the mean weight diameter of mechanically stable aggregate (DMWD) (P<0.05). Furthermore, the content of > 2 mm and < 0.25 mm water stable aggregates had a significant direct impact on the WMWD (P<0.01). The content of<0.25 mm water stable aggregates had a significant direct impact on the PAD (P<0.01), while the content of SOC and WSS had a significant indirect impact on the PAD via a direct effect on the content of<0.25 mm water stable aggregate (P<0.05).

6.
Anal Chem ; 91(24): 15625-15633, 2019 Dec 17.
Artigo em Inglês | MEDLINE | ID: mdl-31650836

RESUMO

Intracellular oxygen concentration was quantitatively imaged and rapidly traced with millisecond time resolution. We have demonstrated a new kind of oxygen nanosensors based on a ruthenium complex doped solid silica nanoparticles, which showed high oxygen sensing performance (I0/I100 = 3.29, t95 < 3 s) and ease of surface functionalization. Their sensing performance can be tuned by changing types of oxygen-sensitive probes and particle morphology. The nanosensors showed excellent control in both sensor size (from 30 to 200 nm), monodispersity, morphology, surface chemistry, and batch to batch consistency. Their uniform size distribution and good biocompatibility made them suitable for intracellular studies. Because the sensor surface can be easily functionalized with arbitrary units (such as transmembrane motifs, drugs, organelle-targeting groups, imaging reagent, and multiple sensor probes), these nanosensors provide a general platform to build easy-to-use tools for intracellular applications. The ease of surface functionalization was demonstrated by modifying the sensors outer surface with morpholinopropylamine and (3-carboxypropyl) triphenyl phosphonium, to actively target intracellular lysosomes and mitochondria of the tested cell lines (HeLa, MCF-7, and MCF-10A). Applying the mitochondria-targeting oxygen nanosensor together with our custom-built rapid phosphorescent lifetime imaging system, variations of intracellular oxygen have been quantitatively imaged and traced (in millisecond intervals) in real time and in situ.

7.
Medicine (Baltimore) ; 98(36): e16981, 2019 Sep.
Artigo em Inglês | MEDLINE | ID: mdl-31490379

RESUMO

RATIONALE: Henoch-Schönlein purpura (HSP) is a common disease in children. However, HSP with intussusception and intestinal obstruction has a low morbidity in children and is occasionally seen in adults. Herein, a rare adult case of HSP complicated with intussusception and hemafecia that was successfully treated with surgery is described. PATIENT CONCERNS: A 19-year-old Chinese man suffered from HSP combined with intussusception and intestinal obstruction and presented with vomiting, diarrhea, abdominal pain, and rash. DIAGNOSIS: Henoch-Schönlein purpura with intussusception and intestinal obstruction. INTERVENTIONS: The patient underwent an emergency laparotomy and manual reset. OUTCOME: The patient was discharged 7 days after surgery in stable condition. We followed the patient to the sixth month after surgery. This patient has no long-term complications after surgery. LESSONS: HSP with intussusception and intestinal obstruction is rarely seen in adults. Patients with HSP often present with abdominal pain as the first symptom, which is easily confused with other diseases. Once the HSP is diagnosed, surgery should be performed as soon as possible, provided there is no absolute contraindication.


Assuntos
Hemorragia Gastrointestinal/etiologia , Enteropatias/etiologia , Intussuscepção/etiologia , Púrpura de Schoenlein-Henoch/complicações , Humanos , Enteropatias/cirurgia , Intussuscepção/cirurgia , Masculino , Adulto Jovem
8.
J Am Chem Soc ; 141(34): 13434-13441, 2019 Aug 28.
Artigo em Inglês | MEDLINE | ID: mdl-31378058

RESUMO

Heterojunction engineering has played an indispensable role in the exploitation of innovative artificial materials with exceptional properties and has consequently triggered a new revolution in achieving high-performance optoelectronic devices. Herein, an intriguing halide perovskite (PVK) and metal dichalcogenide (MD) heterojunction, i.e., a lead-free Cs2SnI6 perovskite nanocrystal/SnS2 nanosheet hybrid, was fabricated in situ for the first time. Comprehensive investigations with experimental characterizations and theoretical calculations demonstrate that cosharing of the Sn atom enables intimate contact in the Cs2SnI6/SnS2 hybrid together with a type II band alignment structure. Additionally, ultrafast carrier separation between SnS2 and Cs2SnI6 has been observed in the Cs2SnI6/SnS2 hybrid by transient absorption measurements, which efficiently prolongs the lifetime of the photogenerated electrons in SnS2 (from 1290 to 3080 ps). The resultant spatial charge separation in the Cs2SnI6/SnS2 hybrid evidenced by Kelvin probe force microscopy (KPFM) significantly boosts the photocatalytic activity toward CO2 reduction and the photoelectrochemical performance, with 5.4-fold and 10.6-fold enhancements compared with unadorned SnS2. This work provides a facile and effective method for the in situ preparation of PVK-MD heterojunctions, which may significantly stimulate the synthesis of various perovskite-based hybrid materials and their further optoelectronic applications.

9.
J Phys Chem A ; 123(36): 7758-7767, 2019 Sep 12.
Artigo em Inglês | MEDLINE | ID: mdl-31442046

RESUMO

Using a combination of velocity-map imaging and resonance-enhanced multiphoton ionization detection with crossed molecular beam scattering, the dynamics of rotational energy transfer have been examined for NO in collisions with CH4 at a mean collision energy of 700 cm-1. The images of NO scattered into individual rotational (jNO') and spin-orbit (Ω) levels typically exhibit a single broad maximum that gradually shifts from the forward to the backward scattering direction with increasing rotational excitation (i.e., larger ΔjNO). The rotational rainbow angles calculated with a two-dimensional hard ellipse model show reasonable agreement with the observed angles corresponding to the maxima in the differential cross sections extracted from the images for higher ΔjNO transitions, but there are clear discrepancies for lower ΔjNO (in particular, final rotational levels with jNO' = 7.5 and 8.5). The sharply forward scattered angular distributions for these lower ΔjNO transitions better agree with the predictions of an L-type rainbow model. The more highly rotationally excited NO appears to coincide with low rotational excitation of the co-product CH4, indicating a degree of rotational product-pair anticorrelation in this bimolecular scattering.

10.
Mikrochim Acta ; 186(8): 584, 2019 07 30.
Artigo em Inglês | MEDLINE | ID: mdl-31363852

RESUMO

The construction of multiple fluorescent nanosensors for intracellular studies is a challenging task because spectral overlap of indicator probes can lead to cross-talk and mutual interference. This work describes biodegradable nanosensors that can simultaneously measure three intracellular parameters (temperature, pH and oxygen concentration). Bovine serum albumin (BSA) is selected as the scaffold to construct the triple nanosensor by covalent immobilization four fluorophores on BSA. The following luminophores were used: (a) fluorescein as a probe for pH values, (b) a platinum(II) porphyrin complex for oxygen; (c) a europium(III) clathrate complex for temperature, and (d) a rhodamine B as a reference dye. The nanoparticles have a size of 20 nm and show excellent biocompatibility and good brightness. The nanosensors were used for ratiometric imaging of intracellular pH values, oxygen and temperature in HeLa cells. The triple nanosensor responds reversibly and this can be used for real-time tracing of these key parameters. Owing to their biodegradable feature, the use of this kind of triple nanosensor reduce the stress on cellular activities because less nanosensors can be used to gather the total information. Graphical abstractA triple nanosensor for simultaneously ratiometrically sensing intracellular pH, oxygen and temperature values was constructed by covalently labelling four fluorophores on a single serum albumin protein. The nanosensor shows good sensitivity, biocompatibility, is biodegradable and suitable for continuously measuring these important parameters.

11.
Angew Chem Int Ed Engl ; 58(43): 15435-15440, 2019 Oct 21.
Artigo em Inglês | MEDLINE | ID: mdl-31448499

RESUMO

Low-dimensional lead halide perovskite materials recently have drawn much attention owing to the intriguing broadband emissions; however, the toxicity of lead will hinder their future development. Now, a lead-free (C4 H14 N2 )2 In2 Br10 single crystal with a unique zero-dimensional (0D) structure constituted by [InBr6 ]3- octahedral and [InBr4 ]- tetrahedral units is described. The single crystal exhibits broadband photoluminescence (PL) that spans almost the whole visible spectrum with a lifetime of 3.2 µs. Computational and experimental studies unveil that an excited-state structural distortion in [InBr6 ]3- octahedral units enables the formation of intrinsic self-trapped excitons (STEs) and thus contributing the broad emission. Furthermore, femtosecond transient absorption (fs-TA) measurement reveals that the ultrafast STEs formation together with an efficient intersystem crossing has made a significant contribution to the long-lived and broad STE-based emission behavior.

12.
ACS Omega ; 4(1): 1715-1721, 2019 Jan 31.
Artigo em Inglês | MEDLINE | ID: mdl-31459428

RESUMO

Long-term sensing of dissolved oxygen in aqueous solution always suffers from adherence of algae, barnacles, and clams and formation of biofilms on the sensor surface, which strongly influences the diffusion of oxygen into the sensor film. Metabolism of these adhered species consumes oxygen and causes bias on sensor readout. Therefore, commercial sensors are equipped with mechanical brushes to constantly clean the sensor surface, which significantly complicates the sensor design and causes damage to the sensor surface. In addition, extra energy storage and mechanical structures are required, which make an optical sensor bulky and limit its service life. We have developed a robust and highly sensitive dissolved oxygen sensor with good mechanical stability and self-cleaning capability. The sensor was fabricated by doping oxygen-sensitive probe PtTFPP with superhydrophobic coating. The 3 to 5 nm micro/nanostructures formed from silica sol were solidified with silicone resin, which endowed the sensor film with excellent mechanical stability. The sensor film exhibits antifouling, antiabrasion, and self-cleaning properties. There is no need of mechanical brushes to clean sensor surfaces, which greatly simplifies the sensor design. Owing to the porous structure, the sensor shows high quenchability, with I 0/I 100 of 77. All these features guarantee that the sensor could be used in harsh and dirty conditions for long-term monitoring of dissolved oxygen concentration.

13.
Nat Commun ; 10(1): 3201, 2019 07 19.
Artigo em Inglês | MEDLINE | ID: mdl-31324758

RESUMO

Pulmonary neuroendocrine (NE) cancer, including small cell lung cancer (SCLC), is a particularly aggressive malignancy. The lineage-specific transcription factors Achaete-scute homolog 1 (ASCL1), NEUROD1 and POU2F3 have been reported to identify the different subtypes of pulmonary NE cancers. Using a large-scale mass spectrometric approach, here we perform quantitative secretome analysis in 13 cell lines that signify the different NE lung cancer subtypes. We quantify 1,626 proteins and identify IGFBP5 as a secreted marker for ASCL1High SCLC. ASCL1 binds to the E-box elements in IGFBP5 and directly regulates its transcription. Knockdown of ASCL1 decreases IGFBP5 expression, which, in turn, leads to hyperactivation of IGF-1R signaling. Pharmacological co-targeting of ASCL1 and IGF-1R results in markedly synergistic effects in ASCL1High SCLC in vitro and in mouse models. We expect that this secretome resource will provide the foundation for future mechanistic and biomarker discovery studies, helping to delineate the molecular underpinnings of pulmonary NE tumors.


Assuntos
Biomarcadores Tumorais , Neoplasias Pulmonares/classificação , Neoplasias Pulmonares/metabolismo , Tumores Neuroendócrinos/classificação , Tumores Neuroendócrinos/metabolismo , Fatores de Transcrição/metabolismo , Animais , Azepinas/farmacologia , Fatores de Transcrição Hélice-Alça-Hélice Básicos/genética , Fatores de Transcrição Hélice-Alça-Hélice Básicos/metabolismo , Linhagem Celular Tumoral , Sobrevivência Celular/efeitos dos fármacos , Regulação Neoplásica da Expressão Gênica , Técnicas de Silenciamento de Genes , Humanos , Proteína 5 de Ligação a Fator de Crescimento Semelhante à Insulina/genética , Proteína 5 de Ligação a Fator de Crescimento Semelhante à Insulina/metabolismo , Neoplasias Pulmonares/tratamento farmacológico , Neoplasias Pulmonares/genética , Camundongos , Camundongos Endogâmicos NOD , Camundongos SCID , Neoplasias Experimentais , Tumores Neuroendócrinos/tratamento farmacológico , Tumores Neuroendócrinos/genética , Fatores de Transcrição de Octâmero/metabolismo , Proteômica , Pirazóis/farmacologia , Receptor IGF Tipo 1/metabolismo , Transdução de Sinais , Carcinoma de Pequenas Células do Pulmão/genética , Carcinoma de Pequenas Células do Pulmão/metabolismo , Triazinas/farmacologia , Triazóis/farmacologia
14.
J Am Chem Soc ; 141(33): 13057-13065, 2019 Aug 21.
Artigo em Inglês | MEDLINE | ID: mdl-31343866

RESUMO

Application of a molecular catalyst in artificial photosynthesis is confronted with challenges such as rapid deactivation due to photodegradation or detrimental aggregation in harsh conditions. In this work, a metal-organic cage [Pd6(RuL3)8]28+ (MOC-16), characteristic of a photochemical molecular device (PMD) concurrently integrating eight Ru2+ light-harvesting centers and six Pd2+ catalytic centers for efficient homogeneous H2 production, is successfully heterogenized through incorporation into a metal-organic framework (MOF) of ZIF-8 and then transformed into a carbonate matrix of Znx(MeIm)x(CO3)x (CZIF), leading to hybridized MOC-16@CZIF. This MOC@MOF integrated photocatalyst inherits a highly efficient and directional electron transfer in the picosecond domain of MOC-16 and possesses one order increased microsecond magnitude of the triplet excited-state electron in comparison to that of the primitive MOC-16. The carbonate CZIF matrix endows MOC-16@CZIF with water wettability, serving as a proton relay to facilitate proton delivery by virtue of H2O as proton carriers. Electron transfer during the photocatalytic process is also enhanced by infiltration of a sacrificial agent of BIH into the CZIF matrix to promote conductivity, owing to its strong reducing ability to induce free charge carriers. These synergistic effects contribute to the extra high activity for H2 generation, making the turnover frequency of this heterogeneous MOC-16@CZIF photocatalyst maintain a level of ∼0.4 H2·s-1, increased by 50-fold over that of a homogeneous PMD. Meanwhile, it is robust enough to tolerate harsh reaction conditions, presenting an unprecedented heterogenization example of homogeneous PMD with a MOF-derived matrix to mimic catalytic features of a natural photosystem, which may shed light on the design of multifunctional PMD@MOF materials to expand the number of molecular catalysts for practical application in artificial photosynthesis.

15.
Exp Ther Med ; 18(2): 1039-1046, 2019 Aug.
Artigo em Inglês | MEDLINE | ID: mdl-31316600

RESUMO

The present study evaluated the effects of calcitonin gene-related peptide (CGRP) on bone marrow mesenchymal stem cells (BMMSCs) in vitro and in a rat model of mandibular distraction osteogenesis (MDO). Rat BMMSCs were isolated then treated with CGRP or CGRP antagonist (CGRP8-37). The proliferation and migration ability of BMMSCs was determined using 5-bromo-2'-deoxyuridine and Transwell assays, respectively. Osteogenic-related gene expression was analyzed with reverse transcription-quantitative polymerase chain reaction. For the in vivo analysis, thirty MDO rats were randomly assigned to control, CGRP or CGRP8-37 groups. To evaluate the mobilization of BMMSCs, nestin and stromal cell-derived factor 1 (SDF-1) were detected by immunohistochemistry and ELISA. Rats were sacrificed following 14 days and new bone formation was assessed by histological and micro-computed tomography analysis. In the in vitro results, the CGRP group demonstrated significantly higher migration and proliferation, as well as enhanced alkaline phosphatase and runt-related transcription factor 2 expression compared with the control. In the in vivo experiments, bone mineral density of the newly formed bone in the CGRP group was significantly higher than controls. The nestin and SDF-1 expression in the CGRP group was also significantly upregulated. In conclusion, the present study demonstrated that CGRP administration increased new bone formation, possibly via enhancing BMMSC migration and differentiation in MDO rats.

16.
J Org Chem ; 84(14): 8859-8869, 2019 Jul 19.
Artigo em Inglês | MEDLINE | ID: mdl-31203616

RESUMO

Anion transmembrane transport mediated by novel noncovalent interactions is of central interest in supramolecular chemistry. In this work, a series of oxacalix[2]arene[2]triazine-derived transporters 1 and 2 bearing anion-π-, hydrogen-, and halogen-bonding sites in rational proximity were designed and synthesized by a one-pot strategy starting from gallic acid ester derivatives and mono- or di-halogen-substituted triazines. 1H NMR titrations demonstrated efficient binding of 1 and 2 toward Cl- and Br- in solution, giving association constants in the range of 102-104 M-1. Cooperation of anion-π, hydrogen, and halogen bonding was revealed as a driving force for anion binding by single-crystal structures of two complexes and density functional theory calculations. Fluorescence assays indicated that compounds 1 are efficient chloride transporters with effective concentrations (EC50) falling in the range of 3.1-7.4 µM and following an order of 1a > 1b > 1c > 1d. The contribution of halogen bonding and cooperative noncovalent bonds to ion transport was then discussed. Significantly, transporters 1 exhibit high anticancer activity. In the presence of 1 and KCl (60 mM), the cell survival of HCT116 reduces to 11.9-24.9% with IC50 values in the range of 52.3-66.4 µM.

17.
J Biotechnol ; 301: 68-78, 2019 Aug 10.
Artigo em Inglês | MEDLINE | ID: mdl-31175893

RESUMO

Using mathematical model and computer simulation to predict biological processes and optimize the target production is an important strategy for optimizing fermentation process. However, the inherent uncertainty of the kinetic model severely limits the predictive capability. In this study, optimize target production, such as productivity and yield of 1, 3-propanediol produced by Klebsiella pneumoniae using glycerol as substrate, the ensemble modeling approach was used to reduce the model's uncertainty for fermentation process as much as possible, and effectively improve its prediction performance. Firstly, through sensitivity analysis, the parameters having significant influence on the model were determined as the adjustable parameters for the ensemble modeling. After comparison, the appropriate threshold coefficient of the model error was determined, and the sampling method was used to generate as many equivalent parameter sets as possible. Each set of parameters was separately applied for the simulation, and all the predicted values were integrated for the weighted average. Therefore, the expected value of the prediction was obtained. Compared with the traditional simulation using single parameter set, the ensemble modeling method achieved the lower relative error between the prediction and the experimental value and the greatly improved model prediction performance. Moreover, the optimal productivity and yield of 1, 3-propanediol and the corresponding operating conditions were obtained, respectively. The ensemble modeling approach effectively compensates for the uncertainties of the model, making its prediction performance more practical, which is important for computer simulations to predict and guide the actual production process.


Assuntos
Glicerol/metabolismo , Klebsiella pneumoniae/metabolismo , Propilenoglicóis/metabolismo , Biotecnologia , Simulação por Computador , Fermentação , Modelos Estatísticos
18.
Bioorg Med Chem ; 27(14): 3201-3207, 2019 Jul 15.
Artigo em Inglês | MEDLINE | ID: mdl-31171404

RESUMO

In this report, structural characterization, aptamer stability and thrombin of a new modified thrombin-ligand complex binding aptamer (TBA) containing anti-guanine bases and a loop position locked nucleic acid (LNA) are presented. NMR, circular dichroic spectroscopy and molecular modeling were used to characterize the three-dimensional structure of two G-quadruplexes. LNA-modification of the anti-guanosines yields G-quadruplexes that show affinity and inhibitory activity toward thrombin, whereas LNA-modification of a thymine nucleotide in the TGT loop increases the thermal stability of TBA. As assessed by denatured PAGE electrophoresis, all modified aptamers display an increase in environmental stability. The prothrombin time assay and fibrinogen assay showed that the aptamers still had good inhibitory activity, and 15 of them had the longest PT time. Therefore, the LNA modification is well suited to improve the physicochemical and biological properties of the native thrombin-binding aptamer.

19.
Dis Markers ; 2019: 7138754, 2019.
Artigo em Inglês | MEDLINE | ID: mdl-30944670

RESUMO

RARß plays a critical role in cancer progression and is associated with several types of human cancer. It remains unclear, however, whether it is linked to the clinicopathological parameters of colorectal cancer (CRC). We therefore determined the expression of RARß protein in patients with primary CRC and examined its relationship with clinical outcomes. RARß expression in 234 samples of CRC patients and matched benign noncancerous tumors was detected by immunohistochemistry. RARß mRNA expression was confirmed using the TCGA and Oncomine databases. COX regression analysis and Kaplan-Meier survival analysis were performed to determine the relationship between RARß expression and CRC prognosis. Our results show that high expression of RARß correlated with better prognosis in CRC patients. RARß expression in CRC specimens was clearly lower than in peritumoral specimens (30.8% vs 58.8%, p < 0.001) and significantly correlated with gender (χ 2 = 3.926, p = 0.048), tumor differentiation (χ 2 = 5.978, p = 0.014), and tumor stage (χ 2 = 6.642, p = 0.036). Multivariate analyses further revealed that low RARß expression (p = 0.001), distant metastasis (p = 0.001), tissue differentiation (p = 0.006), and tumor stage (p = 0.002) were associated with overall survival in CRC patients. In addition, Kaplan-Meier analysis indicated that increased RARß expression in cytoplasm (p = 0.001) and early tumor TNM stage (p = 0.030) was associated with a more favorable outcome in patients with CRC. In conclusion, RARß expression was strongly correlated with several clinicopathological factors of CRC and may represent a favorable prognostic marker in patients with CRC.


Assuntos
Biomarcadores Tumorais/metabolismo , Neoplasias Colorretais/metabolismo , Receptores do Ácido Retinoico/metabolismo , Biomarcadores Tumorais/genética , Neoplasias Colorretais/genética , Neoplasias Colorretais/patologia , Feminino , Humanos , Masculino , Pessoa de Meia-Idade , RNA Mensageiro/genética , RNA Mensageiro/metabolismo , Receptores do Ácido Retinoico/genética
20.
Nanoscale ; 11(12): 5180-5187, 2019 Mar 21.
Artigo em Inglês | MEDLINE | ID: mdl-30843576

RESUMO

The development of an all-inorganic lead-free perovskite nanocrystal is of crucial importance to solve the instability and lead toxicity of organic-inorganic lead hybrid perovskites. Herein, single-layered Cs4CuSb2Cl12 nanocrystals (NCs) with a narrow band gap of 1.6 eV were prepared for the first time via an ultrasonic exfoliation technique. This powerful top-down method was further generalized to synthesize a class of lead-free perovskite (Cs3Bi2X9 and Cs3Sb2X9) NCs. The experimental and theoretical studies revealed that not only inter-layer van der Waals forces but also in-plane chemical bonds played a critical role in the exfoliation process. Specifically, smaller uniform-sized NCs were observed for Cs4CuSb2Cl12 (∼3 nm) as compared to those for Cs3Sb2Cl9 (∼20 nm) although both Cs4CuSb2Cl12 and Cs3Sb2Cl9 exhibited a similar exfoliation energy (∼0.310 J m-2). This can be ascribed to the weaker in-plane chemical bonds of Cu-Cl (2.808 Å) and Sb-Cl (2.924 Å) in Cs4CuSb2Cl12 than the uniform Cl-Sb bond (2.69 Å) in Cs3Sb2Cl9 that allow for an easier exfoliation process. In addition, exfoliation of the Cs4CuSb2Cl12 microcrystal into NCs results in an indirect-to-direct bandgap transition and a reduced electron effective mass, which provides a rapid and steady photoelectrochemical response, demonstrating that Cs4CuSb2Cl12 NCs are a promising candidate for optoelectronic applications.

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