Influence of Substrate Binding Residues on the Substrate Scope and Regioselectivity of a Plant O-Methyltransferase against Flavonoids

Methylation of free hydroxyl groups is an important modification for flavonoids. It not only greatly increases absorption and oral bioavailability of flavonoids, but also brings new biological activities. Flavonoid methylation is usually achieved by a specific group of plant O-methyltransferases (OMTs) which typically exhibit high substrate specificity. Here we investigated the effect of several residues in the binding pocket of the Clarkia breweri isoeugenol OMT on the substrate scope and regioselectivity against flavonoids. The mutation T133M, identified as reported in our previous publication, increased the activity of the enzyme against several flavonoids, namely eriodictyol, naringenin, luteolin, quercetin and even the isoflavonoid genistein, while a reduced set of amino acids at positions 322 and 326 affected both, the activity and the regioselectivity of the methyltranferase. On the basis of this work, methylated flavonoids that are rare in nature were produced in high purity

Practical m

In collaborative data publishing (CDP), an m-adversary attack refers to a scenario where up to m malicious data providers collude to infer data records contributed by other providers. Existing solutions either rely on a trusted third party (TTP) or introduce expensive computation and communication overheads. In this paper, we present a practical distributed k-anonymization scheme, m-k-anonymization, designed to defend against m-adversary attacks without relying on any TTPs. We then prove its security in the semihonest adversary model and demonstrate how an extension of the scheme can also be proven secure in a stronger adversary model. We also evaluate its efficiency using a commonly used dataset

Does Graph Distillation See Like Vision Dataset Counterpart?

Training on large-scale graphs has achieved remarkable results in graph representation learning, but its cost and storage have attracted increasing concerns. Existing graph condensation methods primarily focus on optimizing the feature matrices of condensed graphs while overlooking the impact of the structure information from the original graphs. To investigate the impact of the structure information, we conduct analysis from the spectral domain and empirically identify substantial Laplacian Energy Distribution (LED) shifts in previous works. Such shifts lead to poor performance in cross-architecture generalization and specific tasks, including anomaly detection and link prediction. In this paper, we propose a novel Structure-broadcasting Graph Dataset Distillation (SGDD) scheme for broadcasting the original structure information to the generation of the synthetic one, which explicitly prevents overlooking the original structure information. Theoretically, the synthetic graphs by SGDD are expected to have smaller LED shifts than previous works, leading to superior performance in both cross-architecture settings and specific tasks. We validate the proposed SGDD across 9 datasets and achieve state-of-the-art results on all of them: for example, on the YelpChi dataset, our approach maintains 98.6% test accuracy of training on the original graph dataset with 1,000 times saving on the scale of the graph. Moreover, we empirically evaluate there exist 17.6% ~ 31.4% reductions in LED shift crossing 9 datasets. Extensive experiments and analysis verify the effectiveness and necessity of the proposed designs. The code is available in the GitHub repository: https://github.com/RingBDStack/SGDD.Comment: Accepted by NeurIPS 202

The dynamic investigation of intrinsic vibration characteristics of a stranding machine by the finite element method

In response to the design problems of violent vibration and noise when a stranding machine is running at high speed, this project completed a motion simulation and vibration analysis based on the prototype FB-650C-2 bow-type stranding machine produced by Fuchuan Mechanical and Electrical Technology Co. The modal analysis was carried out in ANSYS to obtain the first eight orders of inherent frequencies and vibration patterns, combined with excitation force analysis to verify whether the rotating parts could avoid the resonant frequency when operating. Harmonic response analysis was carried out based on the modal state to calculate the steady-state forced vibration of the structure, and the variation curve of response value (usual deformation) with frequency and the cloud diagrams of stress distribution of each component at the rotation frequency were obtained. Suggestions for improving vibration and reducing noise were made based on the experimental and analytical results

Broad Spectrum Enantioselective Amide Bond Synthetase from Streptoalloteichus hindustanus

The synthesis of amide bonds is one of the most frequently performed reactions in pharmaceutical synthesis, but the requirement for stoichiometric quantities of coupling agents and activated substrates in established methods has prompted interest in biocatalytic alternatives. Amide Bond Synthetases (ABSs) actively catalyze both the ATP-dependent adenylation of carboxylic acid substrates and their subsequent amidation using an amine nucleophile, both within the active site of the enzyme, enabling the use of only a small excess of the amine partner. We have assessed the ability of an ABS from Streptoalloteichus hindustanus (ShABS) to couple a range of carboxylic acid substrates and amines to form amine products. ShABS displayed superior activity to a previously studied ABS, McbA, and a remarkable complementary substrate specificity that included the enantioselective formation of a library of amides from racemic acid and amine coupling partners. The X-ray crystallographic structure of ShABS has permitted mutational mapping of the carboxylic acid and amine binding sites, revealing key roles for L207 and F246 in determining the enantioselectivity of the enzyme with respect to chiral acid and amine substrates. ShABS was applied to the synthesis of pharmaceutical amides, including ilepcimide, lazabemide, trimethobenzamide, and cinepazide, the last with 99% conversion and 95% isolated yield. These findings provide a blueprint for enabling a contemporary pharmaceutical synthesis of one of the most significant classes of small molecule drugs using biocatalysis

Chemical Reaction Dynamics at Surfaces

Contains reports on four research projects.Center for Materials Science and EngineeringCamille and Henry Dreyfus FoundationNational Science Foundation (Grant CHE82-06422)Research CorporationNational Science Foundation (CHE85-08734)Synthetic Fuels Center of the Energy Laboratory at M.I.T.Center for Materials Science and EngineeringMonsant

Arsenic(V) removal in wetland filters treating drinking water with different substrates and plants

Constructed wetlands are an attractive choice for removing arsenic (As) within water resources used for drinking water production. The role of substrate and vegetation in As removal processes is still poorly understood. In this study, gravel, zeolite (microporous aluminosilicate mineral), ceramsite (lightweight expanded clay aggregate) and manganese sand were tested as prospective substrates while aquatic Juncus effuses (Soft Rush or Common Rush) and terrestrial Pteris vittata L. (Chinese Ladder Brake; known as As hyperaccumulator) were tested as potential wetland plants. Indoor batch adsorption experiments combined with outdoor column experiments were conducted to assess the As removal performances and process mechanisms. Batch adsorption results indicated that manganese sand had the maximum As(V) adsorption rate of 4.55 h−1 and an adsorption capacity of 42.37 μg/g compared to the other three aggregates. The adsorption process followed the pseudo-first-order kinetic model and Freundlich isotherm equations better than other kinetic and isotherm models. Film-diffusion was the rate-limiting step. Mean adsorption energy calculation results indicated that chemical forces, particle diffusion and physical processes dominated As adsorption to manganese sand, zeolite and gravel, respectively. During the whole running period, manganese sand-packed wetland filters were associated with constantly 90% higher As(V) reduction of approximate 500 μg/L influent loads regardless if planted or not. The presence of P. vittata contributed to no more than 13.5% of the total As removal. In contrast, J. effuses was associated with a 24% As removal efficiency

Improved isolation of cadmium from paddy soil by novel technology based on pore water drainage with graphite-contained electro-kinetic geosynthetics

Novel soil remediation equipment based on electro-kinetic geosynthetics (EKG) was developed for in situ isolation of metals from paddy soil. Two mutually independent field plot experiments A and B (with and without electric current applied) were conducted. After saturation using ferric chloride (FeCl3) and calcium chloride (CaCl2), soil water drainage capacity, soil cadmium (Cd) removal performance, energy consumption as well as soil residual of iron (Fe) and chloride (Cl) were assessed. Cadmium dissolved in the soil matrix and resulted in a 100% increase of diethylenetriamine-pentaacetic acid (DTPA) extracted phyto-available Cd. The total soil Cd content reductions were 15.20% and 26.58% for groups A and B, respectively, and electric field applications resulted in a 74.87% increase of soil total Cd removal. The electric energy consumption was only 2.17 kWh/m3 for group B. Drainage by gravity contributed to > 90% of the overall soil dewatering capacity. Compared to conventional electro-kinetic technology, excellent and fast soil water drainage resulted in negligible hydrogen ion (H+) and hydroxide ion (OH−) accumulation at nearby electrode zones, which addressed the challenge of anode corrosion and cathode precipitation of soil metals. External addition of FeCl3 and CaCl2 caused soil Fe and Cl residuals and led to 4.33–7.59% and 139–172% acceptable augments in soil total Fe and Cl content, correspondingly, if compared to original untreated soils. Therefore, the novel soil remediation equipment developed based on EKG can be regarded as a promising new in situ technology for thoroughly isolating metals from large-scale paddy soil fields

Analysis of the response regulatory network of pepper genes under hydrogen peroxide stress

Hydrogen peroxide (H2O2) is a regulatory component related to plant signal transduction. To better understand the genome-wide gene expression response to H2O2 stress in pepper plants, a regulatory network of H2O2 stress-gene expression in pepper leaves and roots was constructed in the present study. We collected the normal tissues of leaves and roots of pepper plants after 40 days of H2O2 treatment and obtained the RNA-seq data of leaves and roots exposed to H2O2 for 0.5–24 h. By comparing the gene responses of pepper leaves and roots exposed to H2O2 stress for different time periods, we found that the response in roots reached the peak at 3 h, whereas the response in leaves reached the peak at 24 h after treatment, and the response degree in the roots was higher than that in the leaves. We used all datasets for K-means analysis and network analysis identified the clusters related to stress response and related genes. In addition, CaEBS1, CaRAP2, and CabHLH029 were identified through a co-expression analysis and were found to be strongly related to several reactive oxygen species-scavenging enzyme genes; their homologous genes in Arabidopsis showed important functions in response to hypoxia or iron uptake. This study provides a theoretical basis for determining the dynamic response process of pepper plants to H2O2 stress in leaves and roots, as well as for determining the critical time and the molecular mechanism of H2O2 stress response in leaves and roots. The candidate transcription factors identified in this study can be used as a reference for further experimental verification