Using random forest to classify T-cell epitopes based on amino acid properties and molecular features

T-lymphocyte (T-cell) is a very important component in human immune system. T-cell epitopes can be used for the accurately monitoring the immune responses which activation by major histocompatibility complex (MHC), and rationally designing vaccines. Therefore, accurate prediction of T-cell epitopes is crucial for vaccine development and clinical immunology. In current study, two types peptide features, i.e., amino acid properties and chemical molecular features were used for the T-cell epitopes peptide representation. Based on these features, random forest (RF) algorithm, a powerful machine learning algorithm, was used to classify T-cell epitopes and non-T-cell epitopes. The classification accuracy, sensitivity, specificity, Matthews correlation coefficient (MCC), and area under the curve (AUC) values for proposed method are 97.54%, 97.22%, 97.60%, 0.9193, and 0.9868, respectively. These results indicate that current method based on the combined features and RF is effective for T-cell epitopes prediction.     

Carbon nanospheres with well‐controlled nano‐morphologies as support for palladium‐catalyzed Suzuki coupling reaction

Uniform carbon nanospheres (UCS) with well‐controlled nano‐morphologies were fabricated by hydrothermal carbonization of sucrose in the presence of kayexalate. Highly dispersed and ultrafine palladium nanoparticles were supported on the UCS through a facile co‐reduction process with NaBH₄ as reducing agent. The obtained Pd@UCS exhibited efficient catalytic activity for the Suzuki coupling reaction. Moreover, the as‐prepared catalyst could be recycled and reused at least five times without significant loss of its catalytic activity.     

生物质与烟煤混合灰熔融特性影响因素的研究

为探究气氛、混合比及残炭含量对生物质与煤混合灰熔融特性的影响,将松木屑灰与乌海烟煤灰按不同质量比混合,采用智能灰熔点仪测定各混合灰样在不同气氛下的灰熔融温度,X射线衍射仪从矿物质演变角度分析混合灰熔融温度变化的原因。结果表明,由于铁尖晶石和铁橄榄石的生成,使混合灰的熔融温度在弱还原性气氛下比氧化性气氛下低,且差值的大小与混合灰中Fe含量有关;随松木屑灰含量的增加,钙铝黄长石、镁黄长石、白榴石等低温共熔物的生成量增加,使混合灰的熔融温度降低;此外,由于Fe-C共熔体(Fe_xC_y)的生成、灰锥局部还原性气氛及残炭的"骨架"作用,使混合灰的熔融温度随煤灰中残炭含量的增加呈现先升高后降低再升高的趋势。     

Experiment on relationship between the magnetic gradient of low-carbon steel and its stress

In geomagnetic field, a series of tensile experiments on the low-carbon steel sticks were carried out. A special homemade detector was used to measure the magnetic gradient on the material surface. The results showed that the relationship between the magnetic gradient and the stress varied with different conditions of measurement. There was no obvious correlation between the magnetic gradient and the tensile stress if the sample remained on the material test machine. If the sample was taken off from the machine, the measured magnetic gradient was linear with the prior maximum stress. In Nanjing, PR China, a place of 32°N latitude, the slope of the linear relationship was about 67 (uT/m)/MPa. This offered a new method of non-destructive stress testing by measuring the magnetic gradient on the ferromagnetic component surface. The prior maximum applied stress of the sample could be tested by measuring the present surface magnetic gradient. Actually this phenomenon was the metal magnetic memory (MMM). The magnetic gradient near the stress concentration zone of the sample, the necking point, was much larger than other area. Thus, the hidden damage in the ferromagnetic component could be detected early by measuring the magnetic gradient distribution on its surface. In addition, the magnetic memory signal gradually weakened as the sample was taken off and laid aside. Therefore, it was effective for a given period of time to detect the stress or stress concentration based on the MMM testing.     

Phosphorus and Energy Recovery from Manure and Digestion Residues

Abstract

Human and animal excrements, in particular manure, stand for a significant and undisputable source of plant nutrients and renewable energy. In Europe, only 36% of P-inputs to soils originate from primary resources (rock phosphate) whereas 63% come from animal and human excretions applied to cropland as manure, digestion residues and sewage sludge. Simultaneously these waste flows represent a potential hazard to human health and aquatic bodies because of pathogens and eutrophication. Management of these waste flows is far from being sustainable, in part due to the lack of efficient processing technologies. A cooperative InnoEnergy—EIT financed KIC Knowledge and Innovation Community—research project pursues development and demonstration of highly efficient technologies to overcome the constraints and to yield renewable phosphate fertilizers and energy from waste flows that may have a combined technical energy potential of 3,600 PJ/year and an annual phosphate recovery potential of 4.5–5.5 million tonnes (as P₂O₅) in Europe.     

Biomass-based green chemistry: sustainable solutions for modern economies

Abstract

Biomass and renewable raw materials are the basis and driver for an even greater alignment of industry to the principles of green chemistry and sustainability. Nature provides a remarkably wide range of renewable raw materials with varying properties and differing chemical compositions. Renewable raw materials are therefore especially interesting as alternatives to fossil resources for energy generation and as starting materials for industrial chemistry. Since various forms of biomass are also essential for human nutrition and animal feed, their use as feedstocks for other purposes must be balanced. Ideally, the biomass remaining after the nutritious components are removed can serve as a feedstock. Examples of applications that use biomass as starting materials include adhesives, textile and leather, cosmetics, cleaning agents, coatings, paints, printing inks, crop protection, lubricants and dietary supplements.     

热解温度对生物质焦理化特性的影响

利用SEM、BET及TGA对在873、1 073和1 273 K下制得的麦秆焦的理化特性进行分析,进行了用制得的麦秆焦还原NO的实验,同时考虑了焦样及NO初始浓度对该反应的影响,得出了热解温度对麦秆焦的各种物理化学特性及其与NO反应活性的影响。结果表明,1 073 K焦样的孔隙特征最为发达,燃烧活性最高,并对应最高的NO还原效率。焦作用下NO的还原率随着焦样浓度的增大线性升高,而随着初始NO浓度的增大呈幂函数的规律下降。不同热解温度下麦秆焦样与NO的反应均在1 173 K附近存在动力学控制和扩散控制的转折温度;在动力学控制的反应温度范围内,热解温度对麦秆焦与NO反应活化能的影响不大(89.78~95.41 kJ/mol),其中,NO浓度项和焦浓度项的反应级数分别为0.89和1.00。     

蒸汽活化生物质焦吸附模拟烟气中SO2和NO的研究

以麦秆和稻壳生物质为研究对象,在不同的热解温度、热解速率以及蒸汽活化温度条件下制备了生物质焦,采用比表面积与孔隙度分析仪测定生物质焦的比表面积和孔隙结构参数。利用固定床吸附装置,研究了热解温度、热解速率、活化温度和模拟烟气中SO₂和NO浓度等因素对生物质焦吸附SO₂和NO性能的影响。结果表明,蒸汽活化可以显著提高生物质焦的BET比表面积、D-R比表面积、D-R微孔容积和总孔容,降低其平均孔径,并显著增加蒸汽活化生物质焦对SO₂与NO吸附的起始穿透时间和吸附量。快速热解下制得的蒸汽活化焦对SO₂和NO的吸附效果优于慢速热解,热解温度为873 K的蒸汽活化焦的吸附性能明显好于热解温度为673与1 073 K的蒸汽活化焦。在973~1 173 K下,随着蒸汽活化温度的提高,蒸汽活化生物质焦对SO₂和NO的吸附量呈现先上升后下降的趋势。随着模拟烟气中SO₂与NO浓度的降低,蒸汽活化生物质焦对SO₂与NO吸附的起始穿透时间延长,但相应的SO₂和NO吸附量下降。在873 K、快速热解和1 073 K条件下制得的蒸汽活化麦秆焦对SO₂和NO吸附量最大,其值分别为109.02和21.77 mg/g。     

基于桔子皮废弃物从含铼废水中高效、高选择地提取钼

以生物质废弃物桔子皮为原料, 直接氨化后得到OW-NH₂生物吸附剂, OW-NH₂对Mo(Ⅵ)的吸附具有很高的选择性, 对其他共存离子Re(Ⅶ)、Pb(Ⅱ)、Fe(Ⅲ)、Zn(Ⅱ)、Mn(Ⅶ)、Ca(Ⅱ)和Cu(Ⅱ)基本不吸附, 尤其是对Mo(Ⅵ)、Re(Ⅶ)的分离具有高选择性。红外光谱分析表明阴离子形式的H₃Mo₇O₂₄^3-、H₂Mo₇O₂₄^4-、HMo₇O₂₄^5-、Mo₈O₂₆^4-、Mo₇O₂₄^6- 和MoO₄^2-与引入在纤维素上的RNH₃⁺发生离子缔合反应。OW-NH₂吸附Mo(Ⅵ)的过程符合Langmiur吸附模型, 最大吸附量为1.71 mol·kg^-1。另外, OW-NH₂对工业实际料液的动态模拟实验的结果表明Mo(Ⅵ)回收率可达99%以上。