Novel measurement system for respiratory aerosols and droplets in indoor environments

The SARS-CoV-2 pandemic has created a great demand for a better understanding of the spread of viruses in indoor environments. A novel measurement system consisting of one portable aerosol-emitting mannequin (emitter) and a number of portable aerosol-absorbing mannequins (recipients) was developed that can measure the spread of aerosols and droplets that potentially contain infectious viruses. The emission of the virus from a human is simulated by using tracer particles solved in water. The recipients inhale the aerosols and droplets and quantify the level of solved tracer particles in their artificial lungs simultaneously over time. The mobile system can be arranged in a large variety of spreading scenarios in indoor environments and allows for quantification of the infection probability due to airborne virus spreading. This study shows the accuracy of the new measurement system and its ability to compare aerosol reduction measures such as regular ventilation or the use of a room air purifier.     

热烫温度对小麦面团介观特性的影响机制

本实验以热烫面团为研究对象，通过凯氏定氮法、粒径分析、傅里叶变换红外光谱以及快速黏度分析等手段，研究55、65、75、85 ℃和95 ℃热烫温度下小麦面团中麦谷蛋白大聚体的质量分数、粒径分布、蛋白质二级结构以及面团中淀粉的糊化特性的变化情况。结果表明：随着热烫温度的升高，面团中麦谷蛋白大聚体质量分数呈现显著增大的趋势（P＜0.05），小粒径的麦谷蛋白大聚体向中粒径和大粒径转变；面团中蛋白质二级结构发生变化，部分α-螺旋和β-折叠结构转变为β-转角和无规卷曲。同时，面团中淀粉的糊化度随着热烫温度的升高逐渐增大；淀粉的峰值黏度、最低黏度、衰减值、最终黏度、回生值和峰值时间均呈现出减小的趋势，在热烫温度高于75 ℃时，这种变化更加显著。     

Dependence of grip strength on shoulder position and its implications for ergonomics practice

Grip strength (GS) variability due to positional changes in the upper extremity joints is of importance while designing workstations and work methods. This study was conducted to analyze the GS variations due to positional changes at shoulder joint when some important variables were under control. The GSs of dominant and nondominant hands were measured in eight shoulder (0°, 45°, 90°, and 135° of flexion and abduction) and standard test positions (STP). One hundred and thirteen subjects 20–30 years old completed the study. At the dominant side, no significant difference was observed in the pairwise comparisons between STP and the others. Maximum and minimum GSs were obtained in 0° abduction and 45° flexion and abduction, respectively. At the nondominant side, GSs were significantly lower (p < 0.001) in the corresponding test positions and demonstrated more variability. The findings of this study can contribute to the available knowledge to guide occupational ergonomists in their practices.     

低阶煤颗粒-气/油泡间的诱导时间研究

为表征低阶煤颗粒-气/油泡间矿化过程的差异,通过Sutherland理论下固体颗粒进入泡沫产品的总概率(E)和浮选速率常数(k)之间关系,并结合低阶煤颗粒-气/油泡的浮选速率试验,求得了低阶煤颗粒-气/油泡间的诱导时间。浮选实验研究表明,在相同的捕收剂消耗量下低阶煤-油泡浮选产率均高于低阶煤-气泡浮选产率。诱导时间测试表明,低阶煤颗粒-油泡间的诱导时间(35 ms)要明显低于低阶煤颗粒-气泡间的诱导时间(93 ms)。上述实验结果表明,油泡表面的疏水性要强于传统浮选气泡表面的疏水性。然而,进一步利用Sutherland理论中固体颗粒进入泡沫产品的总概率和浮选速率常数之间的数学关系,并结合低阶煤颗粒-气/油泡的浮选速率试验求得的低阶煤颗粒-气/油泡间的诱导时间分别为9.67和8.46 ms,其与诱导时间测试仪分别测量的诱导时间差异很大。这主要是由于在实际浮选过程中气/油泡的上升速度分别为23.26和22.68 cm/s,其远高于2015EZ型诱导时间仪测试过程中气/油泡碰撞速度(2.0 cm/s)。因此,诱导时间理论计算表明气泡-颗粒间的碰撞速度对颗粒-气泡间的诱导时间影响很大。上述研究结果表明油泡浮选效果优于传统浮选的内在原因在于低阶煤颗粒-油泡间的诱导时间小于低阶煤颗粒-气泡间的诱导时间。     

Rapid Discovery of Aspartyl Protease Inhibitors Using an Anchoring Approach

Pharmacophore searches that include anchors, fragments contributing above average to receptor binding, combined with one-step syntheses are a powerful approach for the fast discovery of novel bioactive molecules. Here, we are presenting a pipeline for the rapid and efficient discovery of aspartyl protease inhibitors. First, we hypothesized that hydrazine could be a multi-valent warhead to interact with the active site Asp carboxylic acids. We incorporated the hydrazine anchor in a multicomponent reaction and created a large virtual library of hydrazine derivatives synthetically accessible in one-step. Next, we performed anchor-based pharmacophore screening of the libraries and resynthesized top-ranked compounds. The inhibitory potency of the molecules was finally assessed by an enzyme activity assay and the binding mode confirmed by several soaked crystal structures supporting the validity of the hypothesis and approach. The herein reported pipeline of tools will be of general value for the rapid generation of receptor binders beyond Asp proteases.     

Covalent Complex of DNA and Bacterial Topoisomerase: Implications in Antibacterial Drug Development

A topoisomerase-DNA transient covalent complex can be a druggable target for novel topoisomerase poison inhibitors that represent a new class of antibacterial or anticancer drugs. Herein, we have investigated molecular features of the functionally important Escherichia coli topoisomerase I (EctopoI)-DNA covalent complex (EctopoIcc) for molecular simulations, which is very useful in the development of new antibacterial drugs. To demonstrate the usefulness of our approach, we used a model small molecule (SM), NSC76027, obtained from virtual screening. We examined the direct binding of NSC76027 to EctopoI as well as inhibition of EctopoI relaxation activity of this SM via experimental techniques. We then performed molecular dynamics (MD) simulations to investigate the dynamics and stability of EctopoIcc and EctopoI-NSC76027-DNA ternary complex. Our simulation results show that NSC76027 forms a stable ternary complex with EctopoIcc. EctopoI investigated here also serves as a model system for investigating a complex of topoisomerase and DNA in which DNA is covalently attached to the protein.