Exploring Molecular Contacts of MUC1 at CIN85 Binding Interface to Address Future Drug Design Efforts

The modulation of protein-protein interactions (PPIs) by small molecules represents a valuable strategy for pharmacological intervention in several human diseases. In this context, computer-aided drug discovery techniques offer useful resources to predict the network of interactions governing the recognition process between protein partners, thus furnishing relevant information for the design of novel PPI modulators. In this work, we focused our attention on the MUC1-CIN85 complex as a crucial PPI controlling cancer progression and metastasis. MUC1 is a transmembrane glycoprotein whose extracellular domain contains a variable number of tandem repeats (VNTRs) regions that are highly glycosylated in normal cells and under-glycosylated in cancer. The hypo-glycosylation fosters the exposure of the backbone to new interactions with other proteins, such as CIN85, that alter the intracellular signalling in tumour cells. Herein, different computational approaches were combined to investigate the molecular recognition pattern of MUC1-CIN85 PPI thus unveiling new structural information useful for the design of MUC1-CIN85 PPI inhibitors as potential anti-metastatic agents.     

Omega-6支撑身体，Omega-3支撑大脑：均衡摄入对儿童大脑发育的影响（网络首发、推荐阅读）

人体大脑和身体的发育，需要从食物中摄取均衡的营养物质。人类大脑是区分人类和其他动物的特征。食物中的必需脂肪酸是机体组织结构和功能的必要组成部分。Omega-6（O6）亚油酸（LA6）是皮肤组织的组成成分，且是炎症、血栓形成、免疫和其他信号分子的前体；Omega-3（O3）α-亚麻酸（ALA3），特别是其长链代谢产物——二十二碳六烯酸（DHA3），是大脑、视网膜和部分神经组织中的关键组分。从富含LA6脂肪酸（缺乏O3脂肪酸）的植物籽中提取出的廉价而优质油脂，是20世纪的西方国家食品工业生产的主要脂肪来源。在代谢通路中，高浓度的LA6脂肪酸可拮抗O3脂肪酸代谢，造成O3脂肪酸不足，因此，在给怀孕动物的饲料中，只提供富含LA6但缺乏O3脂肪酸的油脂作为唯一的脂肪来源，会导致幼崽大脑发育不良。过去20~30年的研究表明，低含量LA6且含DHA3的油脂可改善大脑的功能。近年来的研究较多集中在营养因素对大脑发育的影响，最新研究数据表明，脂肪酸平衡对营养不良儿童的大脑发育尤为重要。世界卫生组织（WHO）越来越重视大脑的营养健康，通过其下属的食品法典委员会，建议用于治疗严重急性营养不良儿童的即食治疗食品中，使用含有均衡脂肪酸组成/构成的脂肪。同样，脂肪酸均衡对老年人可能也很重要。目前，业界已经有了调整油脂成分的方法，以确保脂肪酸均衡，从而维持人体整个生命周期的大脑健康。     

Evaluation of adult and offspring thiamine deficiency in salmonine species from Lake Ontario

Thiamine Deficiency Complex (TDC) is an ongoing problem impacting salmonine health in various waterbodies, including Lake Ontario. The prevalence of TDC has been variable and explanations for differences are limited. In the current study, thiamine concentrations were measured in eggs, liver tissue, and muscle tissue sampled from brown trout (Salmo trutta), Chinook salmon (Oncorhynchus tshawytscha), coho salmon (O. kisutch), lake trout (Salvelinus namaycush), and steelhead trout (O. mykiss) that were collected from Lake Ontario and its surrounding tributaries. The occurrence of TDC was measured for each species based on TDC-induced offspring mortality rates under laboratory conditions. TDC-induced offspring mortality was observed for all species except brown trout. For affected species, egg free thiamine (Th) was consistently low compared to lake trout collected from Lake Superior that are considered thiamine replete. In addition, species with the lowest percentages of Th in their eggs were the most susceptible to TDC, suggesting that limited thiamine reserves in the form of Th may cause TDC-induced offspring mortality. Lastly, our results show that egg thiamine concentrations have yearly variation and increased for all species throughout the study. Reasons for such variation are undetermined; but, if egg thiamine concentrations continue to increase, the impacts of TDC on these salmonine species may lessen. Future monitoring is needed for determining if thiamine concentrations are increasing and the potential impacts that may have on the entire Lake Ontario fishery.     

3S技术应用现状与发展趋势

3S技术出现至今,已在诸多领域成功运用并产生了巨大的价值。文章简单介绍了3S三大组成部分:GIS、RS、GNSS的基本概念,分析了3S技术目前在农业、生态环境监测、土地资源管理以及智慧城市方面的应用现状以及对其在该方面未来的发展趋势进行展望。最后对目前3S在应用中遇到的一些问题进行了探讨,给未来3S技术的发展提供一些参考。     

聚乙烯亚胺氨基化磁性氧化石墨烯的制备及其对活性艳红X-3B的吸附

使用改性hummers法制备出氧化石墨烯(GO),通过水热法在GO上生长磁性CoFe₂O₄,再使用聚乙烯亚胺(PEI)进行氨基改性,制备出聚乙烯亚胺氨基化磁性氧化石墨烯(PEI-MGO)。使用X射线衍射仪(XRD)和扫描电子显微镜(SEM)对PEI-MGO的结构和微观形貌进行表征。结果表明:纳米级尖晶石相CoFe₂O₄均匀分散于GO上,且氨基改性成功。探讨了PEI-MGO对水体中活性艳红X-3B的吸附性能。结果表明:在活性艳红X-3B初始质量浓度为150mg/L、体积为100mL、吸附剂质量为0.04g、pH值为1、吸附时间为60min时达到平衡,平衡吸附量为361.15mg/g。PEI-MGO对活性艳红X-3B的饱和吸附量为470.58mg/g。磁分离和磁回收研究表明,PEI-MGO能快速从水体中分离,回收率为98.6%。     

Common due date assignment scheduling for a no-wait flowshop with convex resource allocation and learning effect

This article addresses the no-wait flowshop scheduling problem with simultaneous consideration of common due date assignment, convex resource allocation and learning effect in a two machine setting. The processing time of each job can be controlled by its position in a sequence and also by allocating extra resource, which is a convex function of the amount of a common continuously divisible resource allocated to the job. The objective is to determine the optimal common due date, the resource allocation and the schedule of jobs such that the total earliness, tardiness and common due date cost (the total resource consumption cost) are minimized under the constraint condition that the total resource consumption cost (the total earliness, tardiness and common due date cost) is limited. Polynomial time algorithms are developed for two versions of the problem.     

3-羟基-4-吡啶酮类螯合剂在镓放射性药物中的 研究进展及展望

目前，在肿瘤等重大疾病的早期诊断中，PET/CT（或PET/MRI）是灵敏度最高、分辨率最好的医学影像手段。PET/CT（或PET/MRI）依赖于PET药物，很大程度上依赖于¹⁸F PET药物。然而，随着世界上第一个⁶⁸Ga药物（⁶⁸Ga-DOTATATE）获得美国FDA批准进入市场，⁶⁸Ga及其药物的研究正受到越来越多的关注。本文首先介绍了镓的基本核性质和化学性质，然后提出了金属双功能螯合剂的设计要求，并讨论了一些常用镓螯合剂的优缺点。由于3-羟基-4-吡啶酮基团对三价镓离子具有高的亲和力和选择性，因此，特别重点关注了3-羟基-4-吡啶酮多齿螯合剂在镓放射性药物中的最新研究进展。最后，还对3-羟基-4-吡啶酮多齿螯合剂在镓放射性药物中的应用前景进行了展望。