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1.
Sensors (Basel) ; 24(7)2024 Mar 26.
Artículo en Inglés | MEDLINE | ID: mdl-38610324

RESUMEN

The traditional rearview mirror method cannot fully guarantee safety when driving trucks. RGB and infrared images collected by cameras are used for registration and recognition, so as to achieve the perception of surroundings and ensure safe driving. The traditional scale-invariant feature transform (SIFT) algorithm has a mismatching rate, and the YOLO algorithm has an optimization space in feature extraction. To address these issues, this paper proposes a truck surround sensing technique based on multi-features and an improved YOLOv5 algorithm. Firstly, the edge corner points and infrared features of the preset target region are extracted, and then a feature point set containing the improved SIFT algorithm is generated for registration. Finally, the YOLOv5 algorithm is improved by fusing infrared features and introducing a composite prediction mechanism at the prediction end. The simulation results show that, on average, the image stitching accuracy is improved by 17%, the time is reduced by 89%, and the target recognition accuracy is improved by 2.86%. The experimental results show that this method can effectively perceive the surroundings of trucks, accurately identify targets, and reduce the missed alarm rate and false alarm rate.

2.
Angew Chem Int Ed Engl ; : e202408840, 2024 Jun 26.
Artículo en Inglés | MEDLINE | ID: mdl-38927000

RESUMEN

Structural adhesives that do not require heating are in high demand in the automotive and electronics industries. However, it remains a challenge to develop robust adhesives that rapidly achieve super adhesion near ambient temperature. Herein, a room-temperature curable, fast-bonding, and super strong epoxy-based structural adhesive was designed from the perspective of cross-scale structure, which lies in threefold pivotal aspects: (i) high branching topology of glycerol carbonate-capped polyurethane (PUGC) increases the kinetics of the ring-opening reaction, contributing to fast crosslinking and the formation of abundant urethane and hydroxyl moieties; (ii) asynchronous crosslinking of epoxy and PUGC synergistically induces phase separation of PUGC within the epoxy resin and the resulting PUGC domains surrounded by interpenetrated shell serves to efficiently toughen the matrix; (iii) abundant dynamic hydrogen bonds including urethane and hydroxyl moieties, along with the elastomeric PUGC domains, dissipate energy of shearing force. As a result, the adhesive strength rapidly grows to 16 MPa within 4 hours, leveling off to 21 MPa after 7 hours, substantially outperforming commercial room-temperature curable epoxy adhesives. The results of this study could advance the field of high-performance adhesives and provide valuable insights into designing materials for efficient curing at room temperature.

3.
Angew Chem Int Ed Engl ; : e202407638, 2024 Jun 28.
Artículo en Inglés | MEDLINE | ID: mdl-38941107

RESUMEN

Near-infrared light-driven photocatalytic CO2 reduction (NIR-CO2PR) holds tremendous promise for the production of valuable commodity chemicals and fuels. However, designing photocatalysts capable of reducing CO2 with low energy NIR photons remains challenging. Herein, a novel NIR-driven photocatalyst comprising an anionic Ru complex intercalated between NiAl-layered double hydroxide nanosheets (NiAl-Ru-LDH) is shown to deliver efficient CO2 photoreduction (0.887 µmol h-1) with CO selectivity of 84.81% under 1200 nm illumination and excellent stability over 50 testing cycles. This remarkable performance results from the intercalated Ru complex lowering the LDH band gap (0.98 eV) via a compression-related charge redistribution phenomenon. Furthermore, transient absorption spectroscopy data verified light-induced electron transfer from the Ru complex towards the LDH sheets, increasing the availability of electrons to drive CO2PR. The presence of hydroxyl defects in the LDH sheets promotes the adsorption of CO2 molecules and lowers the energy barriers for NIR-CO2PR to CO. To our knowledge, this is one of the first reports of NIR-CO2PR at wavelengths up to 1200 nm in LDH-based photocatalyst systems.

4.
PLoS Pathog ; 17(6): e1009645, 2021 06.
Artículo en Inglés | MEDLINE | ID: mdl-34077484

RESUMEN

The presumed DNA helicase encoded by ORF44 of Kaposi's sarcoma-associated herpesvirus (KSHV) plays a crucial role in unwinding viral double-stranded DNA and initiating DNA replication during lytic reactivation. However, the regulatory mechanism of KSHV ORF44 has not been fully elucidated. In a previous study, we identified that N-Myc downstream regulated gene 1 (NDRG1), a host scaffold protein, facilitates viral genome replication by interacting with proliferating cell nuclear antigen (PCNA) and the latent viral protein latency-associated nuclear antigen (LANA) during viral latency. In the present study, we further demonstrated that NDRG1 can interact with KSHV ORF44 during viral lytic replication. We also found that the mRNA and protein levels of NDRG1 were significantly increased by KSHV ORF50-encoded replication and transcription activator (RTA). Remarkably, knockdown of NDRG1 greatly decreased the protein level of ORF44 and impaired viral lytic replication. Interestingly, NDRG1 enhanced the stability of ORF44 and inhibited its ubiquitin-proteasome-mediated degradation by reducing the polyubiquitination of the lysine residues at positions 79 and 368 in ORF44. In summary, NDRG1 is a novel binding partner of ORF44 and facilitates viral lytic replication by maintaining the stability of ORF44. This study provides new insight into the mechanisms underlying KSHV lytic replication.


Asunto(s)
Proteínas de Ciclo Celular/metabolismo , Herpesvirus Humano 8/metabolismo , Interacciones Huésped-Patógeno/fisiología , Proteínas Inmediatas-Precoces/metabolismo , Péptidos y Proteínas de Señalización Intracelular/metabolismo , Replicación Viral/fisiología , Línea Celular , Humanos
5.
Neoplasma ; 69(2): 292-302, 2022 Mar.
Artículo en Inglés | MEDLINE | ID: mdl-35014535

RESUMEN

Apigenin is an edible flavonoid with anticancer properties; however, the underlying mechanisms in hepatocellular carcinoma (HCC) remain to be clarified. In the present study, we demonstrated that apigenin decreased the viability of both SMMC-7721 and SK-Hep1 cells in a dose-dependent manner, and inhibited the migration and invasion of HCC cells with different metastatic potential by regulating actin cytoskeletal rearrangements. Moreover, we showed that apigenin decreased the expression of YAP, and subsequently reduced migration and invasion by modulating the expression of the epithelial-mesenchymal transition (EMT) markers, and promoted the autophagy of HCC cells by regulating the expression of autophagy-related genes. Collectively, the present findings might provide a novel mechanism for the therapeutic application of apigenin in HCC.


Asunto(s)
Carcinoma Hepatocelular , Neoplasias Hepáticas , Apigenina/farmacología , Apigenina/uso terapéutico , Autofagia , Carcinoma Hepatocelular/genética , Línea Celular Tumoral , Movimiento Celular/genética , Transición Epitelial-Mesenquimal , Humanos , Neoplasias Hepáticas/genética
6.
Neoplasma ; 69(1): 59-70, 2022 Jan.
Artículo en Inglés | MEDLINE | ID: mdl-34734530

RESUMEN

Emerin (EMD) plays diverse roles in cellular polarity organization, nuclear stability, and cell motility, however, the biological role of EMD relevant to the migration and invasion of hepatocellular carcinoma (HCC) cells has not yet been illustrated. In the present study, we initially found that the upregulation of EMD in HCC tissues, and EMD expression was negatively correlated with the spontaneous metastatic potential of HCC cell lines. Loss of EMD in HCC cells facilitated cell migration and invasion in vitro and metastasis in vivo. Meanwhile, we demonstrated that EMD knockdown induced EMT but enhanced p21 expression in HCC cells. Notably, silencing of EMD in HCC cells increased the cytoplasmic localization of p21 protein, whereas p21 knockdown partially abrogated the migratory and invasive ability, EMT, and the actin cytoskeleton rearrangement induced by EMD knockdown in HCC cells. Our results indicated a significant role of EMD knockdown in the HCC cell motility and metastasis through upregulating the cytoplasmic p21, unveiling a novel mechanism of cell motility regulation induced by EMD.


Asunto(s)
Carcinoma Hepatocelular , Neoplasias Hepáticas , Carcinoma Hepatocelular/genética , Línea Celular , Línea Celular Tumoral , Movimiento Celular , Transición Epitelial-Mesenquimal , Regulación Neoplásica de la Expresión Génica , Humanos , Neoplasias Hepáticas/genética , Proteínas de la Membrana , Invasividad Neoplásica/genética , Proteínas Nucleares
7.
Nano Lett ; 21(21): 8979-8986, 2021 Nov 10.
Artículo en Inglés | MEDLINE | ID: mdl-34644095

RESUMEN

Plexcitonic strong coupling between a plasmon-polariton and a quantum emitter empowers ultrafast quantum manipulations in the nanoscale under ambient conditions. The main body of previous studies deals with homogeneous quantum emitters. To enable multiqubit states for future quantum computing and network, the strong coupling involving two excitons of the same material but different resonant energies has been investigated and observed primarily at very low temperature. Here, we report a room-temperature diexcitonic strong coupling (DiSC) nanosystem in which the excitons of a transition metal dichalcogenide monolayer and dye molecules are both strongly coupled to a single Au nanocube. Coherent information exchange in this DiSC nanosystem could be observed even when exciton energy detuning is about five times larger than the respective line widths. The strong coupling behaviors in such a DiSC nanosystem can be manipulated by tuning the plasmon resonant energies and the coupling strengths, opening up a paradigm of controlling plasmon-assisted coherent energy transfer.

8.
J Phys Chem A ; 125(14): 2866-2875, 2021 Apr 15.
Artículo en Inglés | MEDLINE | ID: mdl-33823591

RESUMEN

This study investigates the fluorescence quenching mechanism of formaldehyde detection probe Naph1 and its contrast probe Naph3 in water samples and discussed the effect of the electron-donating group and electron-withdrawing group on fluorescence characteristics based on density functional theory (DFT) and time-dependent density functional theory (TD-DFT). We optimized the structures of the four probes Naph1, Naph1-S, Naph3, and Naph3-S (Scheme 1) and calculated the absorption and emission spectra, which were in good agreement with the experiment. Frontier molecular orbitals (FMOs) were used to analyze the charge arrangement in the excited state. To investigate the intramolecular proton transfer (ESIPT) phenomenon, a potential energy curve was constructed. The amount of fragment charge transfer was analyzed by the IFCT method, and then it was determined whether there was an intramolecular charge transfer (ICT) process. It was found that there was an ICT process in Naph3. The electronic effect of the functional groups did not determine the ICT characteristics and the fluorescence characteristics of the substance. Furthermore, the spin-orbit coupling  (SOC) constant based on the intersystem crossing (ISC) was supplemented, which showed that the fluorescence quenching of Naph1 and Naph3 was caused by the ISC and the corresponding quenching of Naph3-S was caused by charge transfer (CT) in the excited state.

9.
J Biol Inorg Chem ; 25(3): 371-382, 2020 05.
Artículo en Inglés | MEDLINE | ID: mdl-32133579

RESUMEN

Density functional theory calculation is used to investigate the oxidation of cyclo-olefin (cyclobutene, cyclopentene, cyclohexene, cycloheptene, and cyclo-octene) by the complex [FeIV(O)(TQA)(NCMe)]2+, which has S = 2 ground state, and the effect of electronic factors and steric hindrance on reaction barriers. Our results suggest that the oxo-iron(IV) complex can oxidise C-H and C = C bonds via a single-state mechanism, and two different ways of electron transport exist. The energy barriers initially decrease with increasing substrate size, and the trend then reverses. Comparison of the energy barrier in different systems reveals that except for the reaction between [FeIV(O)(TQA)(NCMe)]2+ and cycloheptene, oxo-iron(IV) complexes prefer epoxidation to hydroxylation. However, the hydroxylated product is more stable than the corresponding epoxidated product. This result indicates that the products of epoxidation tend to decompose first. The energy barrier of hydroxylation and epoxidation originates from the balance of orbital interaction and Pauli repulsion from the equatorial ligand and protons on the approaching substrate. In this regard, we calculate the weak interaction between two fragments (oxo-iron complex and substrates) using the independent gradient model and drawn the corresponding 3D isosurface representations of reactants.


Asunto(s)
Acetonitrilos/química , Alquenos/química , Aminas/química , Compuestos de Hierro/química , Quinolinas/química , Teoría Funcional de la Densidad , Estructura Molecular , Oxidación-Reducción
10.
Biol Methods Protoc ; 9(1): bpae033, 2024.
Artículo en Inglés | MEDLINE | ID: mdl-38855193

RESUMEN

Visualizing RNA-protein interactions through structural approaches requires the use of RNA molecules purified to homogeneity. We describe here a simple and effective method, free of acrylamide contamination and without using UV radiation, to separate in vitro synthesized, heterogeneous RNA transcripts (up to ∼15 nucleotides) at single-nucleotide resolution by quaternary-amine anion exchange chromatography. The quality of short RNAs isolated through this method is validated by gel electrophoresis, mass spectrometry, and crystallization with a protein-binding partner.

11.
iScience ; 27(4): 109394, 2024 Apr 19.
Artículo en Inglés | MEDLINE | ID: mdl-38510123

RESUMEN

With the rapid development of quantum computing, a variety of quantum convolutional neural networks (QCNNs) are proposed. However, only 1/2n2 features of an n-qubits input are transferred to the next layer in a quantum pooling layer, which results in the accuracy reduction. To solve this problem, a QCNN with a degressive circuit is proposed. In order to enhance the ability of extracting global features, we remove the parameters sharing strategy in the quantum convolutional layer and design a quantum convolutional kernel with global eyesight. In addition, to prevent a sharp feature reduction, a degressive parameterized quantum circuit is adopted to construct the pooling layer. Then the Z-basis measurement is only performed on the first qubit to control the operations on other qubits. Compared with the state-of-the-art QCNN, i.e., hybrid quantum-classical convolutional neural network, the accuracy of our model increased by 0.9%, 1%, and 3%, respectively, in three tasks: quantum state classification, binary code recognition, and quaternary code recognition.

12.
Cell Death Discov ; 10(1): 69, 2024 Feb 10.
Artículo en Inglés | MEDLINE | ID: mdl-38341438

RESUMEN

Ischemia-reperfusion injury (IRI) is a common cause of acute kidney injury (AKI). The kidney is susceptible to IRI under several clinical conditions, including hypotension, sepsis, and surgical procedures, such as partial nephrectomy and kidney transplantation. Extensive research has been conducted on the mechanism and intervention strategies of renal IRI in past decades; however, the complex pathophysiology of IRI-induced AKI (IRI-AKI) is not fully understood, and there remains a lack of effective treatments for AKI. Renal IRI involves several processes, including reactive oxygen species (ROS) production, inflammation, and apoptosis. Mitochondria, the centers of energy metabolism, are increasingly recognized as substantial contributors to the early phases of IRI. Multiple mitochondrial lesions have been observed in the renal tubular epithelial cells (TECs) of IRI-AKI mice, and damaged or dysfunctional mitochondria are toxic to the cells because they produce ROS and release cell death factors, resulting in TEC apoptosis. In this review, we summarize the recent advances in the mitochondrial pathology in ischemic AKI and highlight promising therapeutic approaches targeting mitochondrial dysfunction to prevent or treat human ischemic AKI.

13.
J Phys Chem Lett ; 15(7): 2006-2014, 2024 Feb 22.
Artículo en Inglés | MEDLINE | ID: mdl-38349852

RESUMEN

Improving the efficiency of the oxygen evolution reaction (OER) is crucial for advancing sustainable and environmentally friendly hydrogen energy. Layered double hydroxides (LDHs) have emerged as promising electrocatalysts for the OER. However, a thorough understanding of the impact of structural disorder and defects on the catalytic activity of LDHs remains limited. In this work, a series of NiAl-LDH models are systematically constructed, and their OER performance is rigorously screened through theoretical density functional theory. The acquired results unequivocally reveal that the energy increase induced by structural disorder is effectively counteracted at the defect surface, indicating the coexistence of defects and disorder. Notably, it is ascertained that the simultaneous presence of defects and disorder synergistically augments the catalytic activity of LDHs in the context of the OER. These theoretical findings offer valuable insights into the design of highly efficient OER catalysts while also shedding light on the efficacy of LDH electrocatalysts.

14.
Cell Death Discov ; 9(1): 51, 2023 Feb 09.
Artículo en Inglés | MEDLINE | ID: mdl-36759598

RESUMEN

Organelles are functional areas where eukaryotic cells perform processes necessary for life. Each organelle performs specific functions; however, highly coordinated crosstalk occurs between them. Disorder of organelle networks often occur in various diseases. The endoplasmic reticulum (ER) and mitochondria are crucial organelles in eukaryotic cells as they are the material synthesis and oxidative metabolism centers, respectively. Homeostasis and orchestrated interactions are essential for maintaining the normal activities of cells. However, the mode and mechanism of organelle crosstalk is still a research challenge. Furthermore, the intricate association between organelle dyshomeostasis and the progression of many human diseases remains unclear. This paper systematically summarized the latest research advances in the synergistic mechanism between the endoplasmic reticulum and mitochondria and their crosstalk with other organelles based on recent literature. It also highlights the application potential of organelle homeostasis maintenance as a preventative and treatment strategy for diseases.

15.
ACS Appl Mater Interfaces ; 15(26): 31979-31993, 2023 Jul 05.
Artículo en Inglés | MEDLINE | ID: mdl-37350268

RESUMEN

Magnetic fluid shock absorbers (MFSAs) have been successfully utilized to eliminate microvibrations of flexible spacecraft structures. The method of enhancing the damping efficiency of MFSAs has always been a critical issue. To address this, we drew inspiration from the tree frog's toe pads, which exhibit strong friction due to their unique surface structure. Using 3D printing, we integrated bionic textures copied from tree frog's toe pad surfaces onto MFSAs, which is the first time to combine bionic design and MFSAs. Additionally, this is also the first time that surface textures have been applied to MFSAs. However, we also had to consider practical engineering applications and manufacturing convenience, so we modified the shape of bionic textures. To do so, we used an edge extraction algorithm for image processing and obtained recognition results. After thorough consideration, we chose hexagon as the shape of surface textures instead of bionic textures. For theoretical analysis, a magnetic field-flow field coupling dynamic model for MFSAs was built for the first time to simulate the magnetic fluid (MF) flow in one oscillation cycle. Using this model, the flow rate contours of the MF were obtained. It was observed that textures cause vortexes to form in the MF layer, which produced an additional velocity field. This increased the shear rate, ultimately leading to an increase in flow resistance. Finally, we conducted vibration reduction experiments and estimated damping characteristics of the proposed MFSAs to prove the effectiveness of both bionic texture and hexagon surface textures. Fortunately, we concluded that hexagon surface textures not only improve the damping efficiency of MFSAs but also require less MF mass.


Asunto(s)
Biónica , Piel , Animales , Anuros , Fricción , Procesamiento de Imagen Asistido por Computador
16.
Nat Commun ; 14(1): 627, 2023 Feb 06.
Artículo en Inglés | MEDLINE | ID: mdl-36746937

RESUMEN

Organic room-temperature phosphorescent (RTP) materials exhibiting reversible changes in optical properties upon exposure to external stimuli have shown great potential in diverse optoelectronic fields. Particularly, dynamic manipulation of response behaviors for such materials is of fundamental significance, but it remains a formidable challenge. Herein, a series of RTP polymers were prepared by incorporating phosphorescent rotors into polymer backbone, and these materials show color-tunable persistent luminescence upon excitation at different wavelengths. Experimental results and theoretical calculations revealed that the various molecular conformations of monomers are responsible for the excitation wavelength-dependent (Ex-De) RTP behavior. Impressively, after gaining insights into the underlying mechanism, dynamic control of Ex-De RTP behavior was achieved through thermal energy driven molecular rotations of monomers. Eventually, we demonstrate the practical applications of these amorphous polymers in anti-counterfeiting areas. These findings open new opportunities for the control of response behaviors of smart-responsive RTP materials through external stimuli rather than conventional covalent modification method.

17.
Korean J Pain ; 36(1): 60-71, 2023 Jan 01.
Artículo en Inglés | MEDLINE | ID: mdl-36536517

RESUMEN

Background: The purpose of this research was to assess the role of heparanase (HPSE)/syndecan1 (SDC1)/nerve growth factor (NGF) on cancer pain from melanoma. Methods: The influence of HPSE on the biological function of melanoma cells and cancer pain in a mouse model was evaluated. Immunohistochemical staining was used to analyze HPSE and SDC1. HPSE, NGF, and SDC1 were detected using western blot. Inflammatory factors were detected using ELISA assay. Results: HPSE promoted melanoma cell viability, proliferation, migration, invasion, and tumor growth, as well as cancer pain, while SST0001 treatment reversed the promoting effect of HPSE. HPSE up-regulated NGF, and NGF feedback promoted HPSE. High expression of NGF reversed the inhibitory effect of HPSE down-regulation on melanoma cell phenotype deterioration, including cell viability, proliferation, migration, and invasion. SST0001 down-regulated SDC1 expression. SDC1 reversed the inhibitory effect of SST0001 on cancer pain. Conclusions: The results showed that HPSE promoted melanoma development and cancer pain by interacting with NGF/SDC1. It provides new insights to better understand the role of HPSE in melanoma and also provides a new direction for cancer pain treatment.

18.
Front Plant Sci ; 14: 1074935, 2023.
Artículo en Inglés | MEDLINE | ID: mdl-36938054

RESUMEN

Ipomoeapes-caprae (L.) (IPC) is a common species in tropical and subtropical coastal areas and one of the world's most widely distributed plants. It has attracted researchers for its outstanding biological, ecological and medicinal values. It has been reported that the genetic diversity of IPCs located on different continents is very low because of their frequent gene flow. During the long journey of evolution, every aspect of the plant morphologies has evolved to the best adaptivity to the environment, seeking their survival and progeny expansion. However, the fundamental genetic characteristics of IPC and how their seed adapted to the success of population expansion remain unknown. In this study, the fundamental genetic characteristics, including the genome size and the chromosome number of IPC, were investigated. The results showed that IPC's genome size is approximately 0.98-1.08 GB, and the chromosome number is 2n=30, providing the basic information for further genome analysis. In order to decipher the long-distance dispersal secret of this species, the fruit and seed developments, seed morphology, and seed germination were extensively investigated and described. The results showed an exquisite adaptive mechanism of IPC seeds to fulfil the population expansion via ocean currents. The large cavity inside the seeds and the dense tomenta on the surface provide the buoyancy force for the seeds to float on the seawater. The hard seed coats significantly obstructed the water absorption, thus preventing the seed from germination during the dispersal. Meanwhile, the fully developed embryos of IPC also have physiological dormancy. The physical and physiological characteristics of IPC seeds provide insight into the mechanism of their long-distance dispersal across the oceans. Moreover, based on morphological observation and semi-section microscopy, the development pattern of IPC glander trichomes was described, and their physiological functions were also discussed.

19.
Hortic Res ; 10(9): uhad161, 2023 Sep.
Artículo en Inglés | MEDLINE | ID: mdl-37727702

RESUMEN

Soil salinity is a growing concern for global crop production and the sustainable development of humanity. Therefore, it is crucial to comprehend salt tolerance mechanisms and identify salt-tolerance genes to enhance crop tolerance to salt stress. Suaeda glauca, a halophyte species well adapted to the seawater environment, possesses a unique ability to absorb and retain high salt concentrations within its cells, particularly in its leaves, suggesting the presence of a distinct mechanism for salt tolerance. In this study, we performed de novo sequencing of the S. glauca genome. The genome has a size of 1.02 Gb (consisting of two sets of haplotypes) and contains 54 761 annotated genes, including alleles and repeats. Comparative genomic analysis revealed a strong synteny between the genomes of S. glauca and Beta vulgaris. Of the S. glauca genome, 70.56% comprises repeat sequences, with retroelements being the most abundant. Leveraging the allele-aware assembly of the S. glauca genome, we investigated genome-wide allele-specific expression in the analyzed samples. The results indicated that the diversity in promoter sequences might contribute to consistent allele-specific expression. Moreover, a systematic analysis of the ABCE gene families shed light on the formation of S. glauca's flower morphology, suggesting that dysfunction of A-class genes is responsible for the absence of petals in S. glauca. Gene family expansion analysis demonstrated significant enrichment of Gene Ontology (GO) terms associated with DNA repair, chromosome stability, DNA demethylation, cation binding, and red/far-red light signaling pathways in the co-expanded gene families of S. glauca and S. aralocaspica, in comparison with glycophytic species within the chenopodium family. Time-course transcriptome analysis under salt treatments revealed detailed responses of S. glauca to salt tolerance, and the enrichment of the transition-upregulated genes in the leaves associated with DNA repair and chromosome stability, lipid biosynthetic process, and isoprenoid metabolic process. Additionally, genome-wide analysis of transcription factors indicated a significant expansion of FAR1 gene family. However, further investigation is needed to determine the exact role of the FAR1 gene family in salt tolerance in S. glauca.

20.
RSC Adv ; 12(16): 9891-9897, 2022 Mar 25.
Artículo en Inglés | MEDLINE | ID: mdl-35424943

RESUMEN

A synthetic iron model can process both halogenation and hydroxylation with vague selectivity, which is different from halogenase even though these structures are used for the simulation of halogenase. The key factor of the synthetic oxo-iron model mediated hydroxylation or the halogenation is still under debate. Herein density functional theory calculation is used to investigate the hydroxylation versus halogenation of propylene by the complex [FeIV(O)(TQA)(X)]+ (X = F, Cl, Br). Our results suggest that a concerted rebound mechanism (between the -X and the hydroxyl ligands after the hydrogen abstraction) leads to the formation of two different kinds of products.

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