In Situ-Generated Hollow CoFe-LDH/Co-MOF Heterostructure Nanorod Arrays for Oxygen Evolution Reaction.

Assembling a heterostructure is an effective strategy for enhancing the electrocatalytic activity of hybrid materials. Herein, CoFe-layered double hydroxide and Co-metal-organic framework (CoFe-LDH/Co-MOF) hollow heterostructure nanorod arrays are synthesized. First, [Co(DIPL)(H3BTC)(H2O)2]n [named as Co-MOF, DIPL = 2,6-di(pyrid-4-yl)-4-phenylpyridine, H3BTC = 1,3,5-benzenetricarboxylic acid] crystalline materials with a uniform hollow structure were prepared on the nickel foam. The CoFe-LDH/Co-MOF composite perfectly inherits the original hollow nanorod array morphology after the subsequent electrodeposition process. Optimized CoFe-LDH/Co-MOF hollow heterostructure nanorod arrays display excellent performance in oxygen evolution reaction (OER) with ultralow overpotentials of 215 mV to deliver current densities of 10 mA cm-2 and maintain the electrocatalytic activity for a duration as long as 220 h, ranking it one of the non-noble metal-based electrocatalysts for OER. Density functional theory calculations validate the reduction in free energy for the rate-determining step by the synergistic effect of Co-MOF and CoFe-LDH, with the increased charge density and noticeable electron transfer at the Co-O site, which highlights the capability of Co-MOF to finely adjust the electronic structure and facilitate the creation of active sites. This work establishes an experimental and theoretical basis for promoting efficient water splitting through the design of heterostructures in catalysts.

Generation of aroma in three-line hybrid rice through CRISPR/Cas9 editing of BETAINE ALDEHYDE DEHYDROGENASE2 (OsBADH2).

Aroma or fragrance in rice is a genetically controlled trait; Its high appreciation by consumers increases the rice market price. Previous studies have revealed that the rice aroma is controlled by a specific gene called BETAINE ALDEHYDE DEHYDROGENASE (OsBADH2), and mutation of this gene leads to the accumulation of an aromatic substance 2-acetyl-1-pyrroline (2-AP). The use of genetic engineering to produce aroma in commercial and cultivated hybrids is a contemporary need for molecular breeding. The current study reports the generation of aroma in the three-line hybrid restorer line Shu-Hui-313 (SH313). We created knock-out (KO) lines of OsBADH2 through the CRISPR/Cas9. The analysis of KO lines revealed a significantly increased content of 2AP in the grains compared with the control. However, other phenotypic traits (plant height, seed setting rate, and 1000-grain weight) were significantly decreased. These KO lines were crossed with a non-aromatic three-line hybrid rice male sterile line (Rong-7-A) to produce Rong-7-You-626 (R7Y626), R7Y627 and R7Y628. The measurement of 2-AP revealed significantly increased contents in these cross combinations. We compared the content of 2-AP in tissues at the booting stage. Data revealed that young spike stalk base contained the highest content of 2-AP and can be used for identification (by simple chewing) of aromatic lines under field conditions. In conclusion, our dataset offers a genetic source and illustrates the generation of aroma in non-aromatic hybrids, and outlines a straightforward identification under field conditions.

HCC1, a Polygalacturonase, Regulates Chlorophyll Degradation via the Ethylene Synthesis Pathway.

Chlorophyll degradation is an important physiological process and is essential for plant growth and development. However, how chlorophyll degradation is controlled at the cellular and molecular level remains largely elusive. Pectin is a main component of the primary cell wall, and polygalacturonases (PGs) is a group of pectin-hydrolases that cleaves the pectin backbone and release oligogalacturonide. Whether and how PGs affect chlorophyll degradation metabolism and its association with ethylene (ETH) have not been reported before. Here, we report a novel function of PG in a mutant 'high chlorophyll content1' hcc1, which displayed a decrease in growth and yield. Our morphological, biochemical and genetic analyses of hcc1, knockout lines and complementation lines confirm the function of HCC1 in chlorophyll degradation. In hcc1, the PG activity, ETH content and D-galacturonic acid (D-GA) was significantly decreased and showed an increase in the thickness of the cell wall. Exogenous application of ETH and D-GA can increase ETH content and induce the expression of HCC1, which further can successfully induce the chlorophyll degradation in hcc1. Together, our data demonstrated a novel function of HCC1 in chlorophyll degradation via the ETH pathway.

Multicolor Phosphorescence Modulated by Excitation and Temperature in Zn-Based Coordination Polymers.

Color-tunable room-temperature phosphorescence (RTP) with potential in many fields is of great importance but extremely challenging. It is necessary to comprehend the correlation between the molecular structure and property to design and synthesize such materials. Metal-organic coordination polymers (CPs) with good predesignability and precise structure have become a platform to construct RTP materials. Herein, three zinc-based CPs containing halogen and a flexible tetradentate ligand are synthesized. All of these CPs present two constant emission regions and an excitation-dependent emission region. Structure-property analysis shows that these emissions originate from isolated chromophores and dimerized chromophores as well as various charge transfers. The phosphorescence colors of these CPs can be modulated by excitation and temperature. This study provides a novel strategy to construct multicolor and multiresponsive RTP materials based on metal-organic coordination polymers.

[Chemical components of Magnoliae Officinalis Cortex of different origins and with different tree ages before and after being processed with ginger juice:a qualitative and quantitative analysis].

This study aimed to investigate the impact of ginger juice on chemical profile of Magnoliae Officinalis Cortex(MOC) when they were processed together. Ultra-high-performance liquid chromatography coupled to quadrupole-orbitrap high-resolution mass spectrometry(UHPLC-Q-Orbitrap HRMS) was used for qualitative analysis of the chemical component of MOC samples before and after being processed with ginger juice. UPLC was performed to observe the content variation of eight main components in processed MOC. A total of 174 compounds were identified or tentatively deduced from processed and unprocessed MOC samples according to MS data obtained in positive and negative ion mode. After MOC was processed with ginger juice, the peak areas of most phenolics increased, while the peak areas of most phenylethanoid glycosides decreased; as for neolignans, oxyneolignans, other lignans and alkaloids, changes in the peak area were variable, and the peak areas of terpenoid-lignans varied little. Additionally, gingerols and diarylheptanoids were only detected in the processed MOC sample. The contents of syringin, magnoloside A, and magnoloside B decreased significantly in the processed MOC sample while no significant difference was observed in the contents of magnoflorine, magnocurarine, honokiol, obovatol, and magnolol. This study comprehensively explored the content variation of chemical components in processed and unprocessed MOC samples derived from different regions and with different tree ages using UPLC and UHPLC-Q-Orbitrap HRMS, and summarized the variation characteristics of various compounds. The results provide a data foundation for further research on pharmacodynamic substances of MOC processed with ginger juice.

BiOI/Bi2MoO6 p-n Junction to Enhance Visible Light Photocatalytic Activity toward Environmental Remediation.

Photocatalytic degradation of organic pollutants via semiconductors with high visible light response and effective carrier separation is an economical and green route to greatly achieve environmental remediation. Herein, an efficient BiOI/Bi2MoO6 p-n heterojunction was in situ fabricated through hydrothermal method by substituting Mo7O246- species for I ions. The characteristic p-n heterojunction exhibited a strongly enhanced visible light responsive absorption from 500 to 700 nm owing to the narrow band gap of BiOI and a greatly effective separation of photoexcited carriers because of the built-in electric field on the interface between BiOI and Bi2MoO6. Moreover, the flower-like microstructure also promoted the adsorption of organic pollutants owing to the large surface area (about 10.36 m2/g), good for further photocatalytic degradation. As a result, BiOI/Bi2MoO6 p-n heterojunction showed an excellent photocatalytic activity of RhB of almost 95% in a short time of 90 min under wavelength longer than 420 nm, 2.3 and 2.7 times higher compared with single BiOI and Bi2MoO6, respectively. This work offers a promising approach to purify the environment through the utilization of solar energy by constructing efficient p-n junction photocatalysts.

Hollow Carbon Nanopillar Arrays Encapsulated with Pd-Cu Alloy Nanoparticles for the Oxygen Evolution Reaction.

Delicate design and bottom-up synthesis of hollow nanostructures for oxygen evolution electrocatalysts is a promising way to accelerate the reaction kinetics of overall water splitting. Herein, an efficient and versatile strategy for the controllable preparation of Pd-Cu alloy nanoparticles encapsulated in carbon nanopillar arrays (PD-Cu@HPCN) is developed. Core-shell structured MOF@imidazolium-based ionic polymers (ImIPs) have been prepared and adopted as a template, along with the decomposition of the inner Cu-MOFs when an anion exchange occurs between sodium tetrachloropalladate in solution and bromides in the external ImIP shell. Pd nanoparticles will be highly dispersed in the resulting Pd-Cu@HO-ImIP array, and subsequent topotactic transformation generates Pd-Cu@HNPC. No hazardous reagents or tedious steps are used to remove the inner Cu-MOF templates in contrast to the traditional top-down methods. Remarkably, the Pd-Cu@HPCN catalyst possesses outstanding oxygen evolution reaction (OER) activity, including small overpotential with 10 mA cm-2 at an overpotential of 188 mV, a large double layer capacitance (73.8 mF cm-2), and high stability (20 h). This simple, green, and efficient synthesis methodology represents a new way to design metal alloys for OER electrocatalysts or other electrocatalytic devices.

Automated classification of protein expression levels in immunohistochemistry images to improve the detection of cancer biomarkers.

BACKGROUND: The expression changes of some proteins are associated with cancer progression, and can be used as biomarkers in cancer diagnosis. Automated systems have been frequently applied in the large-scale detection of protein biomarkers and have provided a valuable complement for wet-laboratory experiments. For example, our previous work used an immunohistochemical image-based machine learning classifier of protein subcellular locations to screen biomarker proteins that change locations in colon cancer tissues. The tool could recognize the location of biomarkers but did not consider the effect of protein expression level changes on the screening process. RESULTS: In this study, we built an automated classification model that recognizes protein expression levels in immunohistochemical images, and used the protein expression levels in combination with subcellular locations to screen cancer biomarkers. To minimize the effect of non-informative sections on the immunohistochemical images, we employed the representative image patches as input and applied a Wasserstein distance method to determine the number of patches. For the patches and the whole images, we compared the ability of color features, characteristic curve features, and deep convolutional neural network features to distinguish different levels of protein expression and employed deep learning and conventional classification models. Experimental results showed that the best classifier can achieve an accuracy of 73.72% and an F1-score of 0.6343. In the screening of protein biomarkers, the detection accuracy improved from 63.64 to 95.45% upon the incorporation of the protein expression changes. CONCLUSIONS: Machine learning can distinguish different protein expression levels and speed up their annotation in the future. Combining information on the expression patterns and subcellular locations of protein can improve the accuracy of automatic cancer biomarker screening. This work could be useful in discovering new cancer biomarkers for clinical diagnosis and research.

Ultrathin Two-Dimensional Polyoxometalate-Based Metal-Organic Framework Nanosheets for Efficient Electrocatalytic Hydrogen Evolution.

The rational design of 2D polyoxometalate-based metal-organic framework (POMOF) nanosheets on a conductive substrate as a self-supporting electrode is highly attractive but a great challenge. Herein is the first demonstration of POMOF nanopillar arrays consisting of 2D nanosheets as a self-supported electrode for the hydrogen evolution reaction (HER) in acidic conditions. Single-crystal X-ray analysis reveal that our as-prepared 2D [Co2(TIB)2(PMo12O40)]·Cl·4H2O [named CoMo-POMOF; TIB = 1,3,5-tris(1-imidazoly)benzene] crystalline materials are connected by Co-α-Keggin polymolybdate units act as secondary building blocks and TIB as the organic ligands. The 2D CoMo-POMOF nanosheets were successfully arrayed on a conductive nickel foam substrate by a facile CoO nanorod template-assisted strategy. Remarkably, the CoMo-POMOF nanopillar arrays demonstrate superior electrocatalytic performance toward the HER with an overpotential of 137 mV and Tafel slope of 59 mV dec-1 at 10 mA cm-2, which are comparable to those of state-of-the-art POMOF-based electrocatalysts. Density-functional theory (DFT) calculations demonstrate that the exposed bridging oxygen active sites (Oa) of Co-α-Keggin polymolybdate units in CoMo-POMOF optimize the Gibbs free energy of H* adsorption (ΔGH* = -0.11 eV) and increase the intrinsic HER activity.

Dual-Ligand-Oriented Design of Noncentrosymmetric Complexes with Nonlinear-Optical Activity.

When the N- and O-donor ligands are combined as coligands, two noncentrosymmetric (NCS) complexes of [Ni(p-bdc)(tipa)(H2O)2]2·H2O (1) and Ni(npdc)(tipa)H2O (2) [tipa = tris[4-(1H-imidazol-1-yl)phenyl]amine, p-H2bdc = 1,4-benzenedicarboxylic acid, and H2npdc = 2,6-naphthalenedicarboxylic acid] were achieved under solvothermal conditions. For both structures, N-donor ligands are responsible for the generation of a layered structure, while the O-donor ligands are hung on the layers and are responsible for enhancing the polarity, giving rise to the NCS structures. Because of the different connection modes between the metal centers and different carboxylate ligands (p-bdc2- in 1 and npdc2- in 2), 1 and 2 show some structural differences. The p-bdc2- ligands in 1 are suspended on the upper and lower sides of the [Ni(tipa)]n layers, while all of the npdc2- ligands in 2 hang on one side of the [Ni(tipa)]n layers and point in the same direction, which makes the two NCS complexes show phase-matchable behavior with different second-harmonic-generation (SHG) responses of about 0.9 and 1.5 times that of KH2PO4 (KDP), respectively. Theoretical studies reveal that charge transfers between Ni2+ and carboxylate ligands make the dominant contribution to the optical properties. It is expected that a dual-ligand strategy may guide the design of novel superior-performing NCS complexes.

Ligand-Assisted Controllable Growth of Self-Supporting Ultrathin Two-Dimensional Metal-Organic Framework Nanosheet Electrodes for an Efficient Oxygen Evolution Reaction.

Rational design of metal-organic frameworks (MOFs) into ultrathin two-dimensional (2D) nanosheets with controllable thickness is significantly attractive but is also a significant challenge. Herein, the authors report, for the first time, the synthesis of ultrathin 2D nickel-based MOF nanosheets with a thickness of only about 2 nm via a ligand-assisted controllable growth strategy, which cannot be acquired from the exfoliation of their bulky counterparts or the conventional hydrothermal method. The correlation between 2D nanosheets and crystal growth preference was demonstrated through a judicious choice of a specific [Ni(BIP)(p-BDC)(H2O)2]n framework (BIP = (3,5-bis(1-imidazoly)pyridine), p-H2BDC = terephthalic acid) to underlie the geometry of the resultant morphology. Under the modulation by the dosage of terephthalic acid through a corrosion-dissolution-coordination process, the nanosheets of Ni-MOFs with a controllable thickness can be tuned to 50 and 100 nm. Ultrathin 2D Ni-MOF nanosheet-derived N-doped Ni@carbon exhibits a satisfactory electrocatalytic performance with a small overpotential of 170 mV to achieve a current density of 10 mA cm-2, much outperforming the bulk Ni-MOF and the most reported non-noble-metal oxygen evolution reaction electrocatalysts to date. It is believed that this ligand-assisted controllable growth strategy represents a novel and simple path to prepare high-performance MOF-based electrocatalysts for wide applications.

Construction of Cu(I)-Organic Frameworks with Effective Sorption Behavior for Iodine and Congo Red.

The assembly of a tetradentate pyridine-derived ligand with CuX has afforded two isostructural Cu(I)-organic frameworks [Cu2X2(TBD)·DMF]n (X = Cl for 1 and Br for 2) in this work. Structural analysis indicates that the compounds feature hybrid layered architectures, and the three-dimensional supramolecular frameworks are finally fabricated through the alternative stacking of adjacent layers wherein large open channels are simultaneously constructed. The chemical stability has been studied showing the excellent skeleton maintenance of the prepared solids in various solvents and even in water. Moreover, the iodine and dye sorption performance for compound 1 has been further tested. The Cu(I)-based metal-organic framework exhibits outstanding sorption and separation abilities on the targeted species, which could be considered as a promising adsorbent with high efficiency and selectivity.

Enabling Dual Phosphorescence by Locating a Flexible Ligand in Zn-Based Hybrid Frameworks.

Room-temperature phosphorescence (RTP) materials with recognizable afterglow property have gained widespread attraction. Multicolor RTP has added benefits in multiplexed biological labeling, a zero background ratiometric sensor, a multicolor display, and other fields. However, it is a great challenge to prepare multicolor RTP from a single-component compound according to Kasha's rule. Herein, we propose a strategy to design multicolor RTP in a metal-organic hybrid framework through constructing chromophores in both isolated state and dimer state using a flexible tetradentate ligand. Two compounds were synthesized that presented blue and green dual phosphorescence with different lifetimes at ambient conditions. The photoluminescence mechanism has been thoroughly studied by structure-property analysis. This study provides various possibilities to prepare high-performing RTP materials by the rational design and synthesis of similar compounds.

Photoactive Anthracene-9,10-dicarboxylic Acid for Tuning of Photochromism in the Cd/Zn Coordination Polymers.

Electron transfer photochromic materials with photo-triggered radicals have received huge interest from chemists due to their potentialities in anticounterfeiting, displays, energy conversion, and information storage. However, utilizing the sole carboxylic acid to synthesize novel electron transfer photochromic species is still confronted with huge challenges. Herein, an acentric three-dimensional network Cd2(ADC)2(DMF)2(H2O) (1; ADC = anthracene-9,10-dicarboxylate; DMF = N,N-dimethylformamide) and a two-dimensional layer Zn(ADC)(H2O)·DMA·H2O (2; DMA = N,N-dimethylacetamide) were synthesized and characterized via a photoactive H2ADC ligand. Both compounds exhibited electron transfer photochromism with the formation of radical photoproducts at the solid state, which was revealed by IR, UV-Vis absorption, photoluminescence and electron spin resonance spectra, and magnetic susceptibility measurements. Density functional theory calculations for 1 showed that the coloration process is a metal-assisted ligand-to-ligand electron transfer process between adjacent ADC molecules, and photogenerated stable radicals are delocalized over the ADC components. Compared with 1, the shorter distances between ADC components via coordination bonds promoted 2 to exhibit a higher coloration efficiency and larger quantity of photogenerated radicals. Furthermore, both compounds showed unexpected radical-actuated photochromism in aqueous solution. This work showed that the carboxylic acid ligands, without viologen acceptors, could construct the electron transfer photochromic complexes, showing a novel kind of ligand for the design of hybrid photochromic materials.

Disruption of LLM9428/OsCATC Represses Starch Metabolism and Confers Enhanced Blast Resistance in Rice.

Catalases (CATs) are important self-originating enzymes and are involved in many of the biological functions of plants. Multiple forms of CATs suggest their versatile role in lesion mimic mutants (LMMs), H2O2 homeostasis and abiotic and biotic stress tolerance. In the current study, we identified a large lesion mimic mutant9428 (llm9428) from Ethyl-methane-sulfonate (EMS) mutagenized population. The llm9428 showed a typical phenotype of LMMs including decreased agronomic yield traits. The histochemical assays showed decreased cell viability and increased reactive oxygen species (ROS) in the leaves of llm9428 compared to its wild type (WT). The llm9428 showed enhanced blast disease resistance and increased relative expression of pathogenesis-related (PR) genes. Studies of the sub-cellular structure of the leaf and quantification of starch contents revealed a significant decrease in starch granule formation in llm9428. Genetic analysis revealed a single nucleotide change (C > T) that altered an amino acid (Ala > Val) in the candidate gene (Os03g0131200) encoding a CATALASE C in llm9428. CRISPR-Cas9 targetted knockout lines of LLM9428/OsCATC showed the phenotype of LMMs and reduced starch metabolism. Taken together, the current study results revealed a novel role of OsCATC in starch metabolism in addition to validating previously studied functions of CATs.

Inserting protonated phenanthroline derivatives into the interchain voids of anionic halometallate units to generate hybrid materials with tunable photochromic performance.

Hybrid photochromic materials (HPMs) have potential applications in numerous fields, such as display, protection, and information storage. The generation of HPMs with tunable photochromic performance is meaningful for the availability of smart photoresponsive materials. As a good platform, crystalline HPMs (CHPMs) provide possibilities to generate desirable products because of their synthetic tunability. To achieve this goal, how to introduce predesigned organic ligands as electron acceptors (EAs) into suitable electron donor (ED) systems is significant for yielding products with hybrid ED-EA structure triggering electron transfer (ET) after photo-stimulus. In this study, inserting protonated 1,10-phenanthroline (phen) (as EAs) and its monosubstituted derivatives 5-Cl-phen and 5-NH2-phen to the interchain voids of anionic halometallate units (as EDs) generated three CHPMs, namely [H-phen][BiCl4] (1), [H-5-Cl-phen][BiCl4]·H2O (2), and [H-5-NH2-phen][BiCl4]·H2O (3). The obtained products featured the same anionic inorganic chains with main differences in the protonated organic guests. As expected, compounds 1-3 displayed apparent photochromism because of the ET from the anionic chains to protonated organic units. Interestingly, the photochromic performance of complexes 1-3 could be tuned by inserting phenanthroline-derivative-guests. This research offers a universal way to engineer the photochromic performance of halometallate-based CHPMs under the guidance of the organic EA design.

Exploration of habitat-related chemomarkers for Magnoliae officinalis cortex applying both global and water-soluble components-based metabolomics method.

BACKGROUND: The quality of traditional Chinese medicines (TCMs) has been closely related to their growth regions. The geo-herbalism of TCMs is just like the protected destination of origin on foodstuffs and wines, telling us the specific geographic regions could yield TCMs with superior quality. However, the impact of habitat on TCMs could hardly been indicated in current quality evaluation, defects were as follows: (1) few studies involved the effect of environmental factors, (2) more attentions were paid to several abundant compounds, while global components especially water-soluble compounds were prone to be ignored. PURPOSE: A new integrated metabolomics analysis based on global and water-soluble components was proposed aiming to explore habitat-related chemomarkers for TCMs combined with correlation analysis to environmental factors. The geo-herbalism of Magnoliae officinalis cortex (MOC) was studied as an example. METHODS: Multi-metabolomics approach based on UPLC/Q-TOF-MS and GC-MS combined with LC-2ECD were employed to analyze global components and accurately quantified water-soluble compounds, respectively. Meanwhile, decision tree, partial least squares discriminant analysis (PLS-DA) as well as hierarchical clustering analysis (HCA) heat map was applied to classify different samples and explore habitat-related chemomarkers. In addition, support vector machines model was used to verify the importance of screened out chemomarkers in predicting sample classification, and the impact of environmental factors on the markers were also demonstrated by correlation analysis. RESULTS: By analyzing 148 batches of MOC samples from 21 habitats, 238 variables were picked and 84 of them were identified by UNIFI, meanwhile, seven water-soluble compounds were accurately quantified. Among them, thirteen markers including Var.1, magnolignan E, magnoloside N isomer, α-agarofuran, γ-eudesmol, ß-eudesmol, magnolosides A, B, D, F, H, L and M were suggested importance in grouping Chuan-po and the other MOC samples. Support vector machines model also indicated well prediction performance with an accuracy of 96.97%. Most markers belong to water-soluble compounds and temperature and precipitation contributed to such chemical differences. CONCLUSIONS: The proposed strategy based on multi-metabolomics analysis could aid exploration of habitat-related chemomarkers for TCMs. Meanwhile, the screened out water-soluble compounds could perform equivalent functions in recognition of Daodi medicinal materials (DMMs) and non-DMM samples compared to the global components to some extent.

Combination of Theoretical and Experimental Insights into the Oxygenated Fuel Poly(oxymethylene) Dibutyl Ether from n-Butanol and Paraformaldehyde.

Oxygenated fuel has the function of self-supplying oxygen during the combustion process, which can greatly improve emission performance and reduce diesel fuel soot production. In this paper, a novel oxygenated fuel poly(oxymethylene) dibutyl ether (PODBE n ) is designed and synthesized through experiments in combination with density functional theory (DFT) calculation. The experimental results show that PODBE n has the advantages of high cetane number (73.6), moderate density (868 kg/m3), and low condensation point (-72 °C). According to the DFT calculation results, the molecular (PODBE n ) polarity index of different polymerization degrees is similar to the value of diesel and has good mutual solubility with diesel. Moreover, the mechanism of the entire path of synthesis is calculated at the M06-2X/6-311G(d,p) level of theory. The energetic profile reveals that the rate-determining step is the nucleophilic addition step with the highest barrier energy (TS1 = 21.59 kcal/mol). This work provides a feasible method to synthesize high-performance oxygenated fuel PODBE n using NKC-9 ion-exchange resins.

Improving Protein Subcellular Location Classification by Incorporating Three-Dimensional Structure Information.

The subcellular locations of proteins are closely related to their functions. In the past few decades, the application of machine learning algorithms to predict protein subcellular locations has been an important topic in proteomics. However, most studies in this field used only amino acid sequences as the data source. Only a few works focused on other protein data types. For example, three-dimensional structures, which contain far more functional protein information than sequences, remain to be explored. In this work, we extracted various handcrafted features to describe the protein structures from physical, chemical, and topological aspects, as well as the learned features obtained by deep neural networks. We then used these features to classify the protein subcellular locations. Our experimental results demonstrated that some of these structural features have a certain effect on the protein location classification, and can help improve the performance of sequence-based location predictors. Our method provides a new view for the analysis of protein spatial distribution, and is anticipated to be used in revealing the relationships between protein structures and functions.

Artemether Attenuates Aß25-35-Induced Cognitive Impairments by Downregulating Aß, BACE1, mTOR and Tau Proteins.

BACKGROUND: Alzheimer's disease (AD) is clinically characterized as a progressive cognitive impairment and behavioral disorder. Pathological hallmarks of AD include extracellular senile plaques (SPs), intracellular neurofibrillary tangles (NFTs) and massive neuronal loss. Although the exact cause of AD is not well understood, a mounting body of evidence has demonstrated that the pathogenesis of AD is associated with oxidative stress, neu-roinflammation, and amyloid beta (Aß) induced neural apoptosis. Moreover, overexpression of ß-secretase 1 (BACE1), Aß, mammalian target of rapamycin (mTOR), and Tau proteins are closely related to cognitive symptoms in AD. Studies have demonstrated that artemether, an antimalarial drug with acceptable side effects, possesses protective effects against neuroinflammation and oxidative stress. Importantly, artemether can easily penetrate the blood brain barrier, thereby representing an ideal drug candidate for AD treatment. METHODS: The effect of artemether on memory protection and the associated molecular mechanisms were investigated in an Aß25-35 induced cognitive impairments rat model. RESULTS: Results of the in vivo study showed that oral administration of artemether significantly attenuated Aß25-35-induced cognitive impairment in rats. Results of the in vitro study revealed that artemether significantly downregulated the endogenous expression of Aß, BACE1, mTOR, and Tau proteins in N2a cells. CONCLUSIONS: The beneficial effect of artemether against Aß 25-35-induced cognitive impairments was attributable to the downregulation of the expression of Aß, BACE1, mTOR, and Tau proteins, suggesting the potential of artemether as an effective, neuronal protective, and multi-targeted drug candidate for AD treatment.