A spectral correlation function for efficient sequential NMR assignments of uniformly 15N-labeled proteins

Summary A new computer-based approach is described for efficient sequence-specific assignment of uniformly ¹⁵N-labeled proteins. For this purpose three-dimensional ¹⁵N-correlated [¹H, ¹H]-NOESY spectra are divided up into two-dimensional ¹H-¹H strips which extend over the entire spectral width along one dimension and have a width of ca. 100 Hz, centered about the amide proton chemical shifts along the other dimension. A spectral correlation function enables sorting of these strips according to proximity of the corresponding residues in the amino acid sequence. Thereby, starting from a given strip in the spectrum, the probability of its corresponding to the C-terminal neighboring residue is calculated for all other strips from the similarity of their peak patterns with a pattern predicted for the sequentially adjoining residue, as manifested in the scalar product of the vectors representing the predicted and measured peak patterns. Tests with five different proteins containing both -helices and -sheets, and ranging in size from 58 to 165 amino acid residues show that the discrimination achieved between the sequentially neighboring residue and all other residues compares well with that obtained with an unguided interactive search of pairs of sequentially neighboring strips, with important savings in the time needed for complete analysis of 3D ¹⁵N-correlated [¹H, ¹H]-NOESY spectra. The integration of this routine into the program package XEASY ensures that remaining ambiguities can be resolved by visual inspection of the strips, combined with reference to the amino acid sequence and information on spin-system types obtained from additional NMR spectra.Abbreviations 1D, 2D, 3D, 4D one-, two-, three-, four-dimensional - NOE nuclear Overhauser enhancement - NOESY nuclear Overhauser enhancement spectroscopy - COSY correlation spectroscopy - TOCSY total correlation spectroscopy     

Hexokinase Levels in Discrete Regions of Rat Brain: Evaluation by Quantitative Immuno fluoresence Using Interactive Laser Cytometry and Comparison with Basal Rates of Glucose Utilization

Relative levels of hexokinase (ATP:D-hexose 6-phosphotransferase, EC 2.7.1.1) have been determined in 16 discrete regions of adult rat brain by a quantitative immunofluorescence method. The distribution of immunofluorescence in brain sections was determined by interactive laser cytometry and related to hexokinase content by comparison with standard sections containing known amounts of the enzyme. In many of these regions, referred to here as group I regions, hexokinase content was correlated with previously reported basal rates of glucose utilization. However, several regions (group II regions) in which hexokinase content exceeded that expected from basal rates of glucose utilization were also detected. Compared with the corresponding regions from albino rat brain, higher hexokinase levels were found in the dorsal and ventral lateral geniculate (group I regions) of pigmented Norway rats, a result reflecting previously reported increased glucose utilization by these regions in pigmented rats. There was no difference in hexokinase levels in the superior colliculus, a group II structure, from albino and pigmented rats, a finding implying that a reported increase in rate of glucose utilization in the superior colliculus of pigmented rats is effected without an increase in hexokinase content. It is suggested that group II regions may be adapted to sustain increases in rates of glucose utilization that are, relative to basal rates, considerably greater than those experienced by group I regions.     

Recognition of brain tumors in MRI images using texture analysis

ObjectivesBrain neoplasms or intracranial tumors, which are more common in older adults, can affect individuals of any age including pediatric and children. Exposure to carcinogenic agents including ionizing radiation and family history is one of the main causes of the disease. Early diagnosis is crucial to avoid prolonged. patients' suffering. The aim of the study was to efficiently recognize the brain tumors from the other brain tissues which include grey and white matter as well as cerebrospinal fluid (CSF).Materials and methodsThis study was performed using axial, sagittal and coronal views for fifty brain tumor patients randomly selected from a set of 200 patients, with a “control” set consisting of images showing no sign of disease; and the “test” brain MRI images for patients diagnosed with brain tumor. The study includes both genders with age ranging from 18 years to 83 years old, (56.5 ± 17.2). The brain images were acquired using a standard head coil Philips Intera 1.5 Tesla machine (USA). The thickness of each section in the entire sequence was 8 mm. Acquisition of T2-weighted and T1-weighted were performed. Interactive Data Language software was used to analyze the data.ResultsThe results of this study showed that: the overall accuracy of classification process was 94.8%, and for the tumor; the sensitivity was 97.3%. White matter and grey matter showed a classification accuracy of 95.7% and 89.7% and for CSF the accuracy was 94.3%.ConclusionThe results showed that brain tumor can be classified successfully and delineated using texture analysis with minimum efforts and with high accuracy for brain tumors.     

多元化互动优化医学免疫学课堂教学

根据医学免疫学的特点和我国教学现状,设计了多种互动式教学方式,通过创设问题情境,建立激励机制,创建团队,组织小组活动等,在课堂教学中创造愉快、和谐、平等、探究的气氛,最大限度的激发学生学习主动性、创造性,提高学生的综合素质,同时促进医学基础课的教学质量。为保证多元化互动式教学模式的顺利实施,尝试建立适合该教学模式的全新考核评价体系,在新的评价体系里,期末成绩（100％）=基础理论（50％）＋出勤及课堂表现（15％）＋实验操作与技能（20％）＋小组活动（15％）。在本项研究实施过程中设置了信息反馈环节,针对提高学习兴趣、强化基础知识、促进思考能力、创新能力、语言表达能力等方面设立问卷调查,及时获得信息反馈。多元化互动式教学模式还存在许多细节性的问题急待解决,还需要反复的推敲、探索与实践。     

Discovery of highly potent and selective D4 ligands by interactive SAR study

A series of thienylmethylphenylpiperazins was synthesized and tested for affinity towards the five subtypes of dopaminergic receptors. Compound 5f showed more than 1000 folds selectivity to D4 receptors; analogue 5e showed the highest affinity to D4 receptors with K_i 3.9 nM. An interactive SAR approach was adopted and lead to compound 14a with K_i (D4) as low as 0.03 nM. Molecular docking studies showed a potential, first to report arene cation interaction between the D4 unique residue Arg-186 and the ligands’ arene moiety, explaining the importance of having a strong negative electrostatic potential at this area of the compound structure.     

网络云交互技术辅助外科实践教学的创新应用探索

目的:探索传统教学模式结合网络云交互技术在外科实践教学中的应用效果。方法:于我校2011级五年制临床医学专业本科生中选取76人,随机平均分为两组,分别采取单纯传统大课教学模式、传统教学结合网络云交互技术教学模式;课程结束后进行闭卷理论考试和实践操作考试,综合两项成绩进行评定。同时向两组学员发放调查问卷,以此评价使用网络云交互技术辅助教学的效果。结果:采取传统教学结合网络云交互技术教学模式组的成绩优于采取单纯传统教学模式组,两组成绩差异具有统计学意义(P0.05)。结论:在传统教学模式的基础上添加网络云交互技术更能激发学生的学习兴趣,大大提高了学习效率,更有利于本科生外科实践的教学以及教学资源的整合及教学档案的建立。     

On the parallelisation of bioinformatics applications

This paper surveys the computational strategies followed to parallelise the most used software in the bioinformatics arena. The studied algorithms are computationally expensive and their computational patterns range from regular, such as database-searching applications, to very irregularly structured patterns (phylogenetic trees). Fine- and coarse-grained parallel strategies are discussed for these very diverse sets of applications. This overview outlines computational issues related to parallelism, physical machine models, parallel programming approaches and scheduling strategies for a broad range of computer architectures. In particular, it deals with shared, distributed and shared/distributed memory architectures.     

Real cells - virtual computers

Now it is quite usual to use real computers to simulte virtual cells. I suggest that real cells (e.g. cells cultured in vitro ) might be considered and used as molecular automata. As an imaginary experience, a molecular automata can be built, using real cells and a chemical inert molecule. I suggest that one could be able to test statistical properties of a 2D gas trapped in a box using this sort of automata. Moreover, I would conjecture that any possible algorithm can be implemented in such molecular automata.     

棉田多虫复合危害互作效应及“两红”复合防治指标应用研究

针对长江中游棉区棉花多虫复合危害问题,设计了６种害虫４种组合的复合危害系统．运用通径分析方法,定量描述了多种害虫对棉花的侵害及其间的互作效应．通过多种害虫对棉花产量和品级的直接影响效应和间接影响效应分析,认为当多虫复合危害时,害虫间的相互作用就其对作物的侵害而言,表现为增强效应和减弱效应．在此基础上,研究并制定了“两红”（棉红铃虫和朱砂叶螨）复合危害动态防治指标,经验证、示范及推广应用,取得了显著的经济、生态和社会效益．     

Towards Physarum binary adders

Plasmodium of Physarum polycephalum is a single cell visible by unaided eye. The plasmodium's foraging behaviour is interpreted in terms of computation. Input data is a configuration of nutrients, result of computation is a network of plasmodium's cytoplasmic tubes spanning sources of nutrients. Tsuda et al. (2004) experimentally demonstrated that basic logical gates can be implemented in foraging behaviour of the plasmodium. We simplify the original designs of the gates and show - in computer models - that the plasmodium is capable for computation of two-input two-output gate 〈x, y〉 → 〈xy, x + y〉 and three-input two-output . We assemble the gates in a binary one-bit adder and demonstrate validity of the design using computer simulation.