On initial steps of chemical prebiotic evolution: Triggering autocatalytic reaction of oligomerization

Searching for extraterrestrial life attracts more and more attention. However this searching hardly can be effective without sufficiently universal concept of life origin, which incidentally tackles a problem of origin of life on the Earth. A concept of initial stages of life origin is stated in the paper. The concept eliminates key difficulties in the problem of life origin, and allows experimental verification of it. According to the concept the predecessor of living beings has to be sufficiently simple to provide non-zero probability of self-assembling during short (in geological or cosmic scale) time. In addition the predecessor has to be capable of autocatalysis, and further complication (evolution). A possible scenario of initial stage of life origin, which can be realized both on other planets, and inside experimental facility is considered. In the scope of the scenario a theoretical model of multivariate oligomeric autocatalyst is presented. Results of computer simulation of two versions of oligomeric autocatalytic reactions are presented. It is shown that the contribution of monomer activation reaction is essential, and in some cases autocatalysis in polymerizing reaction can be achieved without catalyzing proper monomer binding reaction.     

Pre-biotic stage of life origin under non-photosynthetic conditions.

Spontaneous assembling of a simplest bacterial cell even if all necessary molecules are present in a solution seems to be extremely rare event and from the scientific standpoint has to be considered as impossible. Therefore, a predecessor of a living cell has to be very simple for providing its self-assembling and at the same time it should be able of progressive increase in complexity. Now phase-separated particles, first of all micelles, are put forward as possible predecessors of living cell. According to the offered working concept only phase-separated particles possessing autocatalytic properties can be considered as predecessors of living cells. The first stage of evolution of these phase-separated autocatalytic systems is the appearance of pre-biotic metabolism providing synthesis of amphiphiles for formation of capsules of these systems. This synthesis is maintained by the energy of a base reaction being a component of a planet-chemical cycle. Catalytic system providing functioning of pre-biotic metabolism is based on multivariate oligomeric autocatalyst, which reproduces itself from monomers, penetrating the particles from the outside. Since the autocatalyst realizes random polymerization then a collection of other oligomers possessing different catalytic functions is produced. In the paper the functioning of multivariate oligomeric autocatalyst in flow reactor is analyzed.     

Have deoxyribonucleotides and DNA been among the earliest biomolecules?

Unlike ribose chemistry, the chemistry of 2-deoxyribose precludes its formation or at least its incorporation into nucleotides under accepted "primordial soup" conditions; therefore RNA and DNA could not develop in parallel during the evolution of protocells. However, deoxyribonucleotides might have been formed abiotically by direct reduction of ribonucleotides in a primitive version of the biochemical pathway. This sequence of events, in which DNA lagged behind RNA in the assembly of genetic information for an unknown--probably short--period of time is suggested by the primitive traits (i.e., nucleotide binding, thiol redox chemistry, and metal ion catalysis) of present-day enzyme systems of deoxyribonucleotide biosynthesis. The reaction should be amenable to experimental study.     

Life as a set of matter transformation cycles: ecological attributes of life.

An approach to searching for extraterrestrial life on the base of "autotroph" concept of the origin of life is presented in the paper. According to this concept the origin of life took place in three stages. The first stage was developed inside the global geochemical cycle in which the turnover of different chemical transformations was implemented by solar radiation and/or heat energy of bowels of the Earth. At the second stage, after the autocatalytic systems have emerged these systems evolved as a result of "natural selection" by autocatalysis parameters up to emergence of special inheritance systems that drastically improved the autocatalysis parameters. The best in terms of autocatalysis parameters were the autocatalysis systems based on phase-separated particles where complex structures can form not only on the basis of covalent interactions. Such autocatalysis systems can emerge only in liquid in a certain range of temperatures and pressures. At this stage the geochemical cycle complicated involving new substances. At the third stage the evolution involved improvement of inheritance systems resulting in formation of the modern type of genetic apparatus. This concept formed the basis to consider approaches to experimental modeling of major aspects of the origin of life and to outlining some general features of life that can extend the sensitive horizon of searching for extraterrestrial life.     

Photolysis of phosphine in the presence of acetylene and propyne, gas mixtures of planetary interest.

Phosphine (PH3) 1 has been observed in the atmospheres of Jupiter and Saturn. We have studied the photochemical reactions of this compound with acetylene (C2H2), an alkyne also detected in these atmospheres. The volatile products formed in these reactions were characterized by H, 31P and 13C NMR. The ethenylphosphine 2 is the first product formed in the photolysis of PH3 in the presence Of C2H2. Photolysis of PH3 in the presence of propyne (C3H4) led to the formation of the Z- and E-prop-1-enylphosphines and traces of 1-methylethenylphosphine. A reaction pathway is proposed. The initial step is the dissociation of PH3 to hydrogen and PH2 radicals. Addition of the phosphinyl radical on alkyne occurs as the next step. Vinylphosphines are then formed by radical combination. This proposed reaction pathway takes into account the nature of the products and studies devoted to the photolysis of germane (GeH4) or hydrogen sulfide (H2S) in the presence of alkyne. Attempts to detect the methylidynephosphine HC triple bond P (the isoelectronic compound of HC triple bond N), in the photolysis products of PH3-C2H2 mixtures were unsuccessful. The application of these findings to Jovian and Saturn atmospheric chemistry is discussed.     

面向装备RUL预测的平行仿真技术

装备平行仿真是系统建模与仿真领域的新兴仿真技术,已经成为研究热点。在装备维修保障领域中,分析了装备剩余寿命（RUL）预测存在的突出问题,即模型参数固定、不具备自适应演化能力,成为阻碍实现装备剩余寿命自适应预测的首要因素。结合装备平行仿真理论,在建模分析的基础上提出了面向装备剩余寿命预测的平行仿真框架,该框架以Wiener状态空间模型为基础仿真模型,在动态注入的装备退化观测数据驱动下,利用期望最大化（EM）算法在线更新模型参数,并利用卡尔曼滤波（KF）算法实现仿真输出数据与观测数据的同化（DA）,从而实现仿真模型动态演化,使得仿真输出不断逼近装备真实退化状态,为准确预测剩余寿命提供高逼真度仿真模型和数据输出。以某轴承性能退化数据为数据驱动源,对该框架进行了验证,仿真结果表明平行仿真方法能准确仿真装备性能退化过程,在提高预测精度的基础上实现了装备剩余寿命的自适应预测,有力证明了平行仿真方法的可行性和有效性。      

Impact of microwave discharges on the lower ionosphere and middle atmosphere

The behaviour of the lower ionosphere and middle atmosphere during microwave discharges at 30 – 60 km altitude is investigated. The developed plasmachemical model includes 166 processes for 19 minor neutral (including excited) components and for 13 charged species. The distinctive differences of this model from previous investigations are (1) the equation system is closed assuming undisturbed conditions, (2) the inclusion of additional reactions involving hydrogen components, and (3) considerable improvement of the reaction scheme for ionized components. The results are analyzed in three main aspects: the behavior of the minor neutral and excited components, variations of charged species including the electron concentration, and finally possible influence of the air heating on the plasma chemistry.     

Laboratory experiments in the study of the chemistry of the outer planets.

The investigation of chemical evolution of bodies in our solar system has, in the past, included observations, theoretical modeling, and laboratory simulations. Of these programs, the last one has been the most criticized due to the inherent difficulties in accurately recreating alien environments in the laboratory. Processes such as wall reactions and changes in chemistry due to difficulties in achieving realistic conditions of temperature, pressure, composition, and energy flux may yield results which are not truly representative of the systems being modeled. However, many laboratory studies have been done which have yielded data useful in planetary science. Gross simulations of atmospheric chemistry have placed constraints on the nature of complex molecules expected in planetary atmospheres. More precise studies of specific chemical processes have provided information about the sources and properties of product gases and aerosols. Determinations of basic properties such as spectral features and reaction rate constants yield data useful in the interpretation of observations and in computational modeling. Alone, and in conjunction with modeling, laboratory experiments will continue to be used to further our understanding of the outer solar system, and some experiments that need to be done are listed.     

Electrostatic Structure of the Electron Phase-space Holes Generated by the Electron Two-stream Instability with a Finite Width

Space satellite observations in an electron phase-space hole (electron hole) have shown that bipolar structures are discovered at the parallel cut of parallel electric field, while unipolar structures spring from the parallel cut of perpendicular electric field. Particle-in-cell (PIC) simulations have demonstrated that the electron bi-stream instability induces several electron holes during its nonlinear evolution. However, how the unipolar structure of the parallel cut of the perpendicular electric field formed in these electron holes is still an unsolved problem, especially in a strongly magnetized plasma (Ω_e > ω_pe, where Ω_e is defined as electron gyrofrequency and ω_pe is defined as plasma frequency, respectively). In this paper, with two-dimensional (2D) electrostatic PIC simulations, the evolution of the electron two-stream instability with a finite width in strongly magnetized plasma is investigated. Initially, those conditions lead to monochromatic electrostatic waves, and these waves coalesce with each other during their nonlinear evolution. At last, a solitary electrostatic structure is formed. In such an electron hole, a bipolar structure is formed in the parallel cut of parallel electric field, while a unipolar structure presents in the parallel cut of perpendicular electric field.      

串并混联空间机械臂全自由度轨迹规划算法

目前,国内外对串并混联空间机械臂的研究较少;而且大多在舍弃冗余自由度的情况下进行轨迹规划.针对7自由度串并混联空间机械臂,提出了一种基于解析解、并且充分放开全部7个自由度的机械臂轨迹规划算法.该规划算法既扩大了串并混联空间机械臂的规划可达空间,又保证了规划的实时性,同时还保留了结构承载能力强的优点,可以充分发挥其作为空间抓捕用臂的优势.通过仿真和地面空间操作抓捕试验,验证了算法的有效性.     

连接方式对电池模块一致性与产热影响

为了研究锂离子电池成组使用时遇到的不一致性和温度不均的问题，基于电化学-热耦合模型，以8块软包电池为例，通过多种串并联方式建立不同的电路模块，分析在1C和0.5C放电过程中电池的温度特征和不一致性。结果表明:电池模块的均温性和一致性与放电倍率有关。不管是先串后并还是先并后串，并联支路的增加或者是串联单元数量的减少都会使电池模块的平均温升和最大温差降低，还会影响温升速率和放电结束时的电压。并联支路数相同时，先串后并模块的一致性要比先并后串好。对于先并后串的模块，其并联支路中串联电池的数量越多，放电过程中电池之间的一致性越差。对于先串后并的模块，其并联的支路数越多，电池的一致性越差。      

The ‘soot line’: Destruction of presolar polycyclic aromatic hydrocarbons in the terrestrial planet-forming region of disks

Interstellar material is highly processed when subjected to the physical conditions that prevail in the inner regions of protoplanetary disks, the potential birthplace of habitable planets. Polycyclic aromatic hydrocarbons (PAHs) are abundant in the interstellar medium, and they have also been observed in the disks around young stars, with evidence for some modification in the latter. Using a chemical model developed for sooting flames, we have investigated the chemical evolution of PAHs in warm (1000–2000 K) and oxygen-rich (C/O < 1) conditions appropriate for the region where habitable planets may eventually form. Our study focuses on (1) delineating the conditions under which PAHs will react and (2) identifying the key reaction pathways and reaction products characterizing this chemical evolution. We find that reactions with H, OH and O are the main pathways for destroying PAHs over disk timescale at temperatures greater than about 1000 K. In the process, high abundances of C₂H₂ persist over long timescales due to the kinetic inhibition of reactions that eventually drive the carbon into CO, CO₂ and CH₄. The thermal destruction of PAHs may thus be the cause of the abundant C₂H₂ that has been observed in disks. We propose that protoplanetary disks have a ‘soot line’, within which PAHs are irreversibly destroyed via thermally-driven reactions. The soot line will play an important role, analogous to that of the ‘snow line’, in the bulk carbon content of meteorites and habitable planets.     

Evolution of binaries with chemically peculiar primaries

The chemically peculiar (CP) stars are classified into subgroups based on the type of peculiarities. A significant fraction of these are known to be binaries. The faster evolution of the massive component leads to a white dwarf or a neutron star. Further evolution of the binary is analysed taking into consideration, the orbital parameters, effect of magnetic field, spectroscopic peculiarities and finally the statistics of CP binaries and Low Mass X-ray Binaries (LMXB).

The possible consequences of the evolution to lead to the formation of Magnetic Cataclysmic Variables (MCV) and LMXB are discussed.     

Hot atoms in cosmic chemistry

High energy chemical reactions and atom molecule interactions might be important for cosmic chemistry with respect to the accelerated species in solar wind, cosmic rays, colliding gas and dust clouds and secondary knock-on particles in solids. “Hot” atoms with energies ranging from a few eV to some MeV can be generated via nuclear reactions and consequent recoil processes. The chemical fate of the radioactive atoms can be followed by radiochemical methods (radio GC or HPLC). Hot atom chemistry may serve for laboratory simulation of the reactions of energetic species with gaseous or solid interstellar matter. Due to the effective measurement of 10⁸–10¹⁰ atoms only it covers a low to medium dose regime and may add to the studies of ion implantation which due to the optical methods applied are necessarily in the high dose regime.

Experimental results are given for the systems: C/H₂O (gas), C/H₂O (solid, 77 K), N/CH₄ (solid, 77K) and C/NH₃ (solid, 77 K). Nuclear reactions used for the generation of 2 to 3 MeV atoms are: ¹⁴N(p, ) ¹¹C, ¹⁶O(p, pn) ¹¹C and ¹²C(d,n) ¹³N with 8 to 45 MeV protons or deuterons from a cyclotron. Typical reactions products are: CO, CO₂, CH₄, CH₂O, CH₃OH, HCOOH, NH₃, CH₃NH₂, cyanamide, formamidine, guanidine etc. Products of hot reactions in solids are more complex than in corresponding gaseous systems, which underlines the importance of solid state reactions for the build-up of precursors for biomolecules in space. As one of the major mechanisms for product formation, the simultaneous or fast consecutive reactions of a hot carbon with two target molecules (reaction complex) is discussed.     

A study of chemical systems using signal flow graph theory.

Photochemistry of giant planets and their satellites is characterized by numerous reactions involving a lot of chemical species. In the present paper, chemical systems are modeled by signal flow graphs. Such a technique evaluates the transmission of any input into the system (solar flux, electrons ... ) and gives access to the identification of the most important mechanisms in the chemical system. This method is applied to the production of hydrocarbons in the atmospheres of giant planets. In particular, the production of C2H6 in the atmosphere of Neptune from the photodissociation of CH4 is investigated. Different pathways of dissociation of CH4 are possible from L alpha radiation. A chemical system containing 14 species and 30 reactions including these different pathways of dissociation is integrated. The main mechanism of production of C2H6 is identified and evaluated for each model of dissociation. The importance of various reaction pathways as a function of time is presented.     

在静电离子迴旋波中电子分布的演化及不稳定性分析

静电离子迴旋波可以导致异常电阻及平行电场的出现.本文分析了电子分布函数在这种波场及平行电场中的演化.结果表明, 电子分布可分成捕获和逃逸两部分.双流不稳定性的发展使逃逸部分变平, 形成具有长而平的尾巴的分布函数.后者在一定速度空间范围内对异常迴旋共振是不稳定的, 结果导致电子的热化和投掷角扩散, 使电子损失掉平行方向的能量, 形成尾部隆起的分布特征, 导致新的不稳定性的出现, 使隆起的部分基本拉平.此后虽然有少部分电子仍可能被加速, 但要慢得多, 且边加速边被热化.      

一种六杆并联机器人的控制问题和控制器研究

针对一种六杆并联结构工业机器人,研究了其运动学逆解和正解算法,以及它们在开放式数控系统中的具体实现技术,解决了基于逆解算法的实时坐标变换问题和基于正解算法的系统初始化问题,并给出了相应模块与数控系统内核的接口,最后在一种开放式数控系统平台上实际开发成功针对这种并联结构机器人的控制系统,从而得出结论,采用正确的实现技术,并联结构机器人的实时控制问题可以在开放式数控系统中很好地得到解决.      

基于双椭球模型的双星系统稳定性研究

太阳系中存在着数量众多的双星系统。研究双星系统对于认识小行星的起源和演化有着重要意义。本文以双椭球模型,使用Joshua推导的四阶精度相互势,对双互锁双星系统进行研究。并通过KTC定理证明其稳定性。研究结果验证了卫星和主星存在相对滚转角速度是双互锁系统的一种可能的绕转方式。     

AToxMss--from a space proven payload to a validated testsystem in ecotoxicology.

The C.E.B.A.S.-Minimodule (Closed Equilibrated Biological Aquatic System) is a space qualified aquatic microcosm of 8.6 liters volume of water. Several aquatic species can be reared in parallel. Based on its characteristics (closed system, highly standardized, testruns longer than 4 weeks are possible, organisms of different trophic levels can be investigated) an improved module (C.B.R.U.=Closed Biological Research Unit) is under development for scientific and commercial use in ecotoxicology. In a two year project named AToxMss (Aquatic EcoToxicology in a Multispecies System) this goal can be reached. AToxMss is a R&D project of an industry team and two teams of the University of Bremen, funded by industry (OHB-System AG) and the state of Bremen, Germany. Three project phases are already completed: The parameter determination to indicate potential impact of chemicals on biological systems, the selection of test substances, as well as the manufacturing of 3 functional modules, each verified for use in ecotoxicological research. The next phase starts with a series of test runs calibrating the system by using well known toxic substances and chemicals.     

临近空间大气化学过程快速建模技术初探

围绕临近空间大气化学过程数值模拟计算问题,以平流层大气4个典型光化学系统为例,运用化学动理学预处理(KPP)工具,对不同复杂度的光化学反应质量平衡方程体系进行预处理,快速建立各系统化学动理学方程组的代数表示;针对模型中的大刚性ODE方程组,选取6种不同的数值计算方案(rodas,ros3,ros4,rosenbrock...