Fe—Ga—O系平衡测定

在钼丝炉内氩气保护下，利用固体电解质定氧探头测定了含镓１．８７％～６．２１％范围内Ｆｅ－Ｇａ－Ｏ三元系平衡时的氧活度，通过处理得到镓在铁液中的标准溶解自由能等热力学参数与温度的关系。     

基于ＥＥＭＤ域统计模型的话音激活检测算法

提出了一种基于EEMD域统计模型的话音激活检测算法。算法首先利用总体平均经验模态分解(Ensemble empirical mode decomposition,EEMD)对带噪语音进行分解,得到信号的本征模式函数(Intrinsicmode function,IMF)分量,选择与原信号的相关性最高的两个分量相加组成主分量;然后对主分量进行频域分解,引入统计模型,求出EEMD域特征参数;最后利用噪声与语音的EEMD域特征参数的不同来进行语音激活检测。实验结果表明,在不同信噪比情况下,本文算法性能优于目前常用的VAD算法,特别在噪声强度大时体现出明显的优势。     

Foredune dynamics at a Lake Michigan site during rising and high lake levels

On Great Lakes dunes, the link between foredune dynamics and coastal processes is seen in dune responses to changing lake levels. This paper investigates foredune dynamics during a recent period of rising and high lake levels. The study location was an active foredune in P.J. Hoffmaster State Park on the east coast of Lake Michigan, where field data were collected from 2000 through the final destruction of the foredune by wave removal in November 2019. Foredune dynamics were studied with erosion pins, direct observations, photographs, mapping, and on-site wind measurements. Regional climate and lake-level data were obtained from established data collection programs. The response of the foredune to rising lake levels was compared to several models of foredune behavior. During the study, the Lake Michigan-Huron level rose 1.89 m from January 2013 to July 2020. After an early transitional period, foredune activity was characterized by scarp retreat (4–19 m per year) and dune narrowing from 2014 to 2019. When the foredune completely disappeared in November 2019, erosion/scarping began on the next landward dune. The foredune activity fits Olson’s (1958) model for foredune growth and erosion through lake-level cycles. The foredune migration predicted by the revised Davidson-Arnott (2021) model of foredune response to relative water level rise did not occur, most likely because the rate of lake-level rise was too high. The six years of foredune narrowing before wave erosion started affecting the next landward dune represent a time-lag in Lake Michigan dune history models of increased dune activity during high lake-level stands.     

Rational Design of Ag/ZnO Hybrid Nanoparticles on Sericin/Agarose Composite Film for Enhanced Antimicrobial Applications

Silver-based hybrid nanomaterials are receiving increasing attention as potential alternatives for traditional antimicrobial agents. Here, we proposed a simple and eco-friendly strategy to efficiently assemble zinc oxide nanoparticles (ZnO) and silver nanoparticles (AgNPs) on sericin-agarose composite film to impart superior antimicrobial activity. Based on a layer-by-layer self-assembly strategy, AgNPs and ZnO were immobilized on sericin-agarose films using the adhesion property of polydopamine. Scanning electron microscopy, energy-dispersive X-ray spectroscopy, and X-ray powder diffraction spectroscopy were used to show the morphology of AgNPs and ZnO on the surface of the composite film and analyze the composition and structure of AgNPs and ZnO, respectively. Water contact angle, swelling ratio, and mechanical property were determined to characterize the hydrophilicity, water absorption ability, and mechanical properties of the composite films. In addition, the antibacterial activity of the composite film was evaluated against Gram-positive and Gram-negative bacteria. The results showed that the composite film not only has desirable hydrophilicity, high water absorption ability, and favorable mechanical properties but also exhibits excellent antimicrobial activity against both Gram-positive and Gram-negative bacteria. It has shown great potential as a novel antimicrobial biomaterial for wound dressing, artificial skin, and tissue engineering.     

Microstructured Lipid Carriers (MLC) Based on N-Acetylcysteine and Chitosan Preventing Pseudomonas aeruginosa Biofilm

The aim of this work was the development of microstructured lipid carriers (MLC) based on chitosan (CH) and containing N-acetylcysteine (NAC), a mucolytic and antioxidant agent, to inhibit the formation of Pseudomonas aeruginosa biofilm. MLC were prepared using the high shear homogenization technique. The MLC were characterized for morphology, particle size, Z potential, encapsulation efficiency and drug release. The antioxidant properties of NAC-loaded microstructured carriers were evaluated through an in vitro spectrophotometer assay. Finally, the activity of NAC-CH-MLC on biofilm production by Pseudomonas aeruginosa was also evaluated. Results obtained from this study highlighted that the use of chitosan into the inner aqueous phase permitted to obtain microstructured particles with a narrow size range and with good encapsulation efficiency. NAC-loaded MLC showed higher antioxidant activity than the free molecule, demonstrating how encapsulation increases the antioxidant effect of the molecule. Furthermore, the reduction of biofilm growth resulted extremely high with MLC being 64.74% ± 6.2% and 83.74% ± 9.95%, respectively, at 0.5 mg/mL and 2 mg/mL. In conclusion, this work represents a favorable technological strategy against diseases in which bacterial biofilm is relevant, such as cystic fibrosis.     

Rational Design of CYP3A4 Inhibitors: A One-Atom Linker Elongation in Ritonavir-Like Compounds Leads to a Marked Improvement in the Binding Strength

Inhibition of the major human drug-metabolizing cytochrome P450 3A4 (CYP3A4) by pharmaceuticals and other xenobiotics could lead to toxicity, drug–drug interactions and other adverse effects, as well as pharmacoenhancement. Despite serious clinical implications, the structural basis and attributes required for the potent inhibition of CYP3A4 remain to be established. We utilized a rational inhibitor design to investigate the structure–activity relationships in the analogues of ritonavir, the most potent CYP3A4 inhibitor in clinical use. This study elucidated the optimal length of the head-group spacer using eleven (series V) analogues with the R₁/R₂ side-groups as phenyls or R₁–phenyl/R₂–indole/naphthalene in various stereo configurations. Spectral, functional and structural characterization of the inhibitory complexes showed that a one-atom head-group linker elongation, from pyridyl–ethyl to pyridyl–propyl, was beneficial and markedly improved K_s, IC₅₀ and thermostability of CYP3A4. In contrast, a two-atom linker extension led to a multi-fold decrease in the binding and inhibitory strength, possibly due to spatial and/or conformational constraints. The lead compound, 3h, was among the best inhibitors designed so far and overall, the strongest binder (K_s and IC₅₀ of 0.007 and 0.090 µM, respectively). 3h was the fourth structurally simpler inhibitor superior to ritonavir, which further demonstrates the power of our approach.     

Secondary Metabolic Profile as a Tool for Distinction and Characterization of Cultivars of Black Pepper (Piper nigrum L.) Cultivated in Pará State,Brazil

This study evaluated the chemical compositions of the leaves and fruits of eight black pepper cultivars cultivated in Pará State (Amazon, Brazil). Hydrodistillation and gas chromatography–mass spectrometry were employed to extract and analyze the volatile compounds, respectively. Sesquiterpene hydrocarbons were predominant (58.5–90.9%) in the cultivars “Cingapura”, “Equador”, “Guajarina”, “Iaçará”, and “Kottanadan”, and “Bragantina”, “Clonada”, and “Uthirankota” displayed oxygenated sesquiterpenoids (50.6–75.0%). The multivariate statistical analysis applied using volatile composition grouped the samples into four groups: γ-Elemene, curzerene, and δ-elemene (“Equador”/“Guajarina”, I); δ-elemene (“Iaçará”/“Kottanadan”/“Cingapura”, II); elemol (“Clonada”/“Uthirankota”, III) and α-muurolol, bicyclogermacrene, and cubebol (“Bragantina”, IV). The major compounds in all fruit samples were monoterpene hydrocarbons such as α-pinene, β-pinene, and limonene. Among the cultivar leaves, phenolics content (44.75–140.53 mg GAE·g⁻¹ FW), the enzymatic activity of phenylalanine-ammonia lyase (20.19–57.22 µU·mL⁻¹), and carotenoids (0.21–2.31 µg·mL⁻¹) displayed significant variations. Due to black pepper’s susceptibility to Fusarium infection, a molecular docking analysis was carried out on Fusarium protein targets using each cultivar’s volatile components. F. oxysporum endoglucanase was identified as the preferential protein target of the compounds. These results can be used to identify chemical markers related to the susceptibility degree of black pepper cultivars to plant diseases prevalent in Pará State.     

Molecular Docking Studies and Biological Evaluation of Berberine–Benzothiazole Derivatives as an Anti-Influenza Agent via Blocking of Neuraminidase

In this study, we have introduced newly synthesized substituted benzothiazole based berberine derivatives that have been analyzed for their in vitro and in silico biological properties. The activity towards various kinds of influenza virus strains by employing the cytopathic effect (CPE) and sulforhodamine B (SRB) assay. Several berberine–benzothiazole derivatives (BBDs), such as BBD1, BBD3, BBD4, BBD5, BBD7, and BBD11, demonstrated interesting anti-influenza virus activity on influenza A viruses (A/PR/8/34, A/Vic/3/75) and influenza B viral (B/Lee/40, and B/Maryland/1/59) strain, respectively. Furthermore, by testing neuraminidase activity (NA) with the neuraminidase assay kit, it was identified that BBD7 has potent neuraminidase activity. The molecular docking analysis further suggests that the BBD1–BBD14 compounds’ antiviral activity may be because of interaction with residues of NA, and the same as in oseltamivir.     

一种面向重构的工作流活动状态语义描述方法

工作流活动行为的精确描述是实现工作流过程控制的基础。基于状态的工作流活动行为描述方法在当前的工作流管理系统中被普遍采用。然而,非形式化的活动状态描述缺乏精确的语义并且不易扩充,导致系统适应性较差。针对业务过程管理需求的多样性和动态性,提出了一种支持快速重构的工作流活动状态语义的形式化描述方法。在分析工作流活动与工作项的状态关联基础上,定义了活动状态配置、活动状态配置全集等用于活动状态语义描述的基本概念。通过把活动状态映射为具有相同特征的活动状态配置的集合,建立了形式化的活动状态语义,研究了在此语义下活动状态的重构机制和基本实现步骤,并通过实例验证了该机制的有效性。应用本方法能够提高工作流管理系统适应企业业务过程管理需求快速变化的能力。