基于分子参数的药物小肠吸收预测模型

选择100个化合物作为数据集,随机选取其中80个为训练集,其他分子为验证集,并为每个化合物分子计算了30个参数.通过采用五种不同多元线性回归分析方法对其训练模拟,建立了数学模型,并用验证集检验了所建模型的预测能力.结果发现向后筛选法为最优小肠吸收建模方法.由该法所建模型的统计结果良好(R2>0.80),应用于验证集时也表现出较强预测能力.该模型确定了对小肠吸收影响较大的分子参数,有助于指导进一步的新药筛选和开发.     

Electric-stress reliability and current collapse of different thickness SiNx passivated AlGaN/GaN high electron mobility transistors

This paper investigates the impact of electrical degradation and current collapse on different thickness SiNx passivated AlGaN/GaN high electron mobility transistors.It finds that higher thickness SiNx passivation can significantly improve the high-electric-field reliability of a device.The degradation mechanism of the SiNx passivation layer under ON-state stress has also been discussed in detail.Under the ON-state stress,the strong electric-field led to degradation of SiNx passivation located in the gate-drain region.As the thickness of SiNx passivation increases,the density of the surface state will be increased to some extent.Meanwhile,it is found that the high NH 3 flow in the plasma enhanced chemical vapour deposition process could reduce the surface state and suppress the current collapse.     

In-situ SiN combined with etch-stop barrier structure for high-frequency AlGaN/GaN HEMT

The etch-stop structure including the in-situ SiN and AlGaN/GaN barrier is proposed for high frequency applications.The etch-stop process is realized by placing an in-situ SiN layer on the top of the thin AlGaN barrier.F-based etching can be self-terminated after removing SiN,leaving the AlGaN barrier in the gate region.With this in-situ SiN and thin barrier etch-stop structure,the short channel effect can be suppressed,meanwhile achieving highly precisely controlled and low damage etching process.The device shows a maximum drain current of 1022 mA/mm,a peak transconductance of 459 mS/mm,and a maximum oscillation frequency(fmax)of 248 GHz.     

催化材料对病毒的吸附和灭活作用及对哺乳动物细胞的毒性

 提出了以吸附和催化原理灭活病毒的设想，旨在开发出对病毒有过滤、吸附及灭活作用的高效非特异性催化材料，应用于各种防护设施，有效控制非典型肺炎（SARS）的传播．采用与SARS病毒相似的副流感病毒作为模拟对象，进行了吸附及灭活该病毒的催化材料研究，并考察了催化材料对哺乳动物细胞的毒性．结果表明，病毒气溶胶的阻留及吸附结果与基于DNA吸附的色谱分析结果相一致；部分材料可以强烈地吸附病毒（100％），甚至在强烈振荡下并洗脱至第3次，病毒也不能脱附；一些材料不仅可以吸附病毒，而且强烈振荡后的洗脱液虽然表现出一定的血凝效价，但接种鸡胚后，病毒并不增殖，说明材料具有明显的催化病毒灭活性能；对细胞毒性极低的材料可以用在与人体接触的防护材料和设施中．筛选出的性能优异的催化材料，拟进一步考察其对SARS病毒的灭活作用．     

N和F共掺杂C3N4的制备及其可见光催化性能

针对氮化碳（C₃N₄）光生电荷易复合、光催化性能有限的不足,我们制备N和F共掺杂C₃N₄（NF-C₃N₄）,以提升其光催化性能。利用NH₄F在高温下原位分解产生的HF和NH₃,对C₃N₄刻蚀的同时实现N和F双元素共掺杂。以氯化铵（NH₄Cl）为对照,制备N掺杂C₃N₄（N-C₃N₄）。利用扫描电子显微镜（SEM）、能谱仪（EDS）、X射线光电子能谱（XPS）、X射线衍射（XRD）、比表面积测试和电化学表征手段研究N、F共掺杂对C₃N₄形貌、成分、结构和物化性质等的影响规律。相比于C₃N₄和N-C₃N₄,NF-C₃N₄呈多孔状,比表面积增大,光生电荷的生成、分离和转移均被促进,NF-C₃N₄光催化还原Cr （Ⅵ）的速率是C₃N₄的2.6倍、N-C₃N₄的1.7倍。进一步考察了不同前驱体（尿素、双氰胺和三聚氰胺）对制备C₃N₄的影响,发现以尿素为前驱体的C₃N₄与NH₄F的质量比为3∶2时,NF-C₃N₄呈现最佳的光催化性能。催化剂用量、光照强度、空穴捕获剂浓度的增加和pH的降低均能提高Cr （Ⅵ）还原速率。在NF-C₃N₄浓度为0.1 g·L^-1、pH=3、c_EDTA-2Na=2 mmol·L^-1、40 min可见光照射后,Cr （Ⅵ）去除率达到90%。5次循环实验表明,优化制备的NF-C₃N₄光催化还原Cr （Ⅵ）的性能保持良好,具有较高的稳定性。     

基于多向联合交汇的柔性视觉形貌测量新方法

针对大尺寸物体形貌测量应用,设计一种视觉形貌测量新方法。该方法是将两套没有公共视场的单目视觉传感器组合起来联合交汇,分别用于位姿测量和单目多位置交汇测量。位姿测量通过求解PnP问题为单目多位置交汇测量提供位姿信息。单目多位置交汇测量利用位姿测量提供的辅助信息通过光束平差解算出待测物的形貌。分析了系统原理,给出位姿测量PnP算法实现过程,介绍了非公共视场相机的标定方法原理,分析了单目多位置交汇测量的原理并给出实现方法。最后进行了测量方法的验证实验,实验结果表明,在3 m×3 m的工作范围内系统测量精度为5 mm,证明该方法可以用于大尺寸物体形貌测量,且结构简单轻便,具有很强的灵活性。     

Low power fluorine plasma effects on electrical reliability of AlGaN/GaN high electron mobility transistor

The new electrical degradation phenomenon of the AlGaN/GaN high electron mobility transistor(HEMT) treated by low power fluorine plasma is discovered. The saturated current, on-resistance, threshold voltage, gate leakage and breakdown voltage show that each experiences a significant change in a short time stress, and then keeps unchangeable. The migration phenomenon of fluorine ions is further validated by the electron redistribution and breakdown voltage enhancement after off-state stress. These results suggest that the low power fluorine implant ion stays in an unstable state. It causes the electrical properties of AlGaN/GaN HEMT to present early degradation. A new migration and degradation mechanism of the low power fluorine implant ion under the off-stress electrical stress is proposed. The low power fluorine ions would drift at the beginning of the off-state stress, and then accumulate between gate and drain nearby the gate side. Due to the strong electronegativity of fluorine, the accumulation of the front fluorine ions would prevent the subsequent fluorine ions from drifting, thereby alleviating further the degradation of AlGaN/GaN HEMT electrical properties.     

Effects of Different Plasma Energy Treatments on n-Type Al0.4Ga0.6N Material

El3ctronic properties, surface chemistry and surface morphology of plasma-treated n-Al0.4Ga0.6N material are studied by electrical contact measurements, atomic force microscopy and x-ray photoemission spectroscopy. Although excessive etching can cause the surface roughness to significantly increase, the nitrogen vacancies VN produced by the excessive etching can be compensated for by the negative effects of the rougher surface. Thus, VN produced by excessive etching plays a key role in Ohmic contact of high-A1 content AIGaN and it can reduce Ohmic contact resistance. The effect of rapid thermal annealing on the performance of n-Al0.4Ga0.6N can significantly reduce the etching damage caused by excessive etching.     

史丰收案件在中国科技史上的警示意义

中国珠算界人士于1973年发明、1974年归纳总结载入杭州小学课本的"29句口诀"和"本个加后进"的"乘法进位规律",为传统珠算向珠心算新阶段的发展提供了"核心技术"之一。自中国珠算协会成立后的80年代初起,经珠算界不断的发展完善,珠心算从最初的用于珠算选手培养训练,继而用于幼少儿的启智教育。于今,珠心算已走向世界,为人类的启智造福。这是中国珠算界的贡献,也是全民族的骄傲。但是,上世纪末却有一位"速算名人"剽窃了珠算界的这一科研成果,之后竟反诬珠界人士"偷桃窃果",随之提起诉讼,运作媒体,引发了一场惊动京城的舆论大哗。对于其人这种"偷桃毁树"的行径,中国珠算协会理所当然地派出专家组出庭维权,后来那位"速算名人"虽承认诬告失实,却一直回避核心技术的发明归属问题,一次次制造干扰,使应对真正"偷桃"行径的追究不了了之。之后,这位"速算名人"又一次次把水搅浑,混淆视听,制造了一场类似前苏联的"李森科现象"。为维护珠算界发明权,还正义于真面貌,本刊发表当年曾出庭维权的"珠界四老"的文章《史丰收案件在中国科技史上的警示意义》立此存照,以杜欺世盗名行为之继续。     

High power-added-efficiency AlGaN/GaN HEMTs fabricated by atomic level controlled etching

An atomic-level controlled etching(ACE)technology is invstigated for the fabrication of recessed gate AlGaN/GaN high-electron-mobility transistors(HEMTs)with high power added efficiency.We compare the recessed gate HEMTs with conventional etching(CE)based chlorine,Cl₂-only ACE and BCl³/Cl₂ACE,respectively.The mixed radicals of BCl₃/Cl₂were used as the active reactants in the step of chemical modification.For ensuring precise and controllable etching depth and low etching damage,the kinetic energy of argon ions was accurately controlled.These argon ions were used precisely to remove the chemical modified surface atomic layer.Compared to the HEMTs with CE,the characteristics of devices fabricated by ACE are significantly improved,which benefits from significant reduction of etching damage.For BCl₃/Cl₂ACE recessed HEMTs,the load pull test at 17 GHz shows a high power added efficiency(PAE)of 59.8%with an output power density of 1.6 W/mm at Vd=10 V,and a peak PAE of 44.8%with an output power density of 3.2 W/mm at Vd=20 V in a continuous-wave mode.