Cryo-EM combined with image deconvolution to determine ZIF-8 crystal structure

Metal–organic frameworks(MOFs) are crystalline porous materials with tunable properties, exhibiting great potential in gas adsorption, separation and catalysis.[1,2]It is challenging to visualize MOFs with transmission electron microscopy(TEM) due to their inherent instability under electron beam irradiation. Here, we employ cryo-electron microscopy(cryoEM) to capture images of MOF ZIF-8, revealing inverted-space structural information at a resolution of up to about 1.7A and enhancing its critical electron dose to around 20 e^(-)/A^(2). In addition, it is confirmed by electron-beam irradiation experiments that the high voltage could effectively mitigate the radiolysis, and the structure of ZIF-8 is more stable along the [100] direction under electron beam irradiation. Meanwhile, since the high-resolution electron microscope images are modulated by contrast transfer function(CTF) and it is difficult to determine the positions corresponding to the atomic columns directly from the images. We employ image deconvolution to eliminate the impact of CTF and obtain the structural images of ZIF-8. As a result, the heavy atom Zn and the organic imidazole ring within the organic framework can be distinguished from structural images.

Determined Reverberant Blind Source Separation of Audio Mixing Signals

Audio signal separation is an open and challenging issue in the classical“Cocktail Party Problem”.Especially in a reverberation environment,the separation of mixed signals is more difficult separated due to the influence of reverberation and echo.To solve the problem,we propose a determined reverberant blind source separation algorithm.The main innovation of the algorithm focuses on the estimation of the mixing matrix.A new cost function is built to obtain the accurate demixing matrix,which shows the gap between the prediction and the actual data.Then,the update rule of the demixing matrix is derived using Newton gradient descent method.The identity matrix is employed as the initial demixing matrix for avoiding local optima problem.Through the real-time iterative update of the demixing matrix,frequency-domain sources are obtained.Then,time-domain sources can be obtained using an inverse short-time Fourier transform.Experi-mental results based on a series of source separation of speech and music mixing signals demonstrate that the proposed algorithm achieves better separation performance than the state-of-the-art methods.In particular,it has much better superiority in the highly reverberant environment.

Climate Warming Mitigation from Nationally Determined Contributions

Individual countries are requested to submit nationally determined contributions(NDCs)to alleviate global warming in the Paris Agreement.However,the global climate effects and regional contributions are not explicitly considered in the countries’decision-making process.In this study,we evaluate the global temperature slowdown of the NDC scenario(ΔT=0.6°C)and attribute the global temperature slowdown to certain regions of the world with a compact earth system model.Considering reductions in CO_(2),CH_(4),N_(2)O,BC,and SO_(2),the R5OECD(the Organization for Economic Co-operation and Development in 1990)and R5ASIA(Asian countries)are the top two contributors to global warming mitigation,accounting for 39.3%and 36.8%,respectively.R5LAM(Latin America and the Caribbean)and R5MAF(the Middle East and Africa)followed behind,with contributions of 11.5%and 8.9%,respectively.The remaining 3.5%is attributed to R5REF(the Reforming Economies).Carbon Dioxide emission reduction is the decisive factor of regional contributions,but not the only one.Other greenhouse gases are also important,especially for R5MAF.The contribution of short-lived aerosols is small but significant,notably SO_(2)reduction in R5ASIA.We argue that additional species beyond CO_(2)need to be considered,including short-lived pollutants,when planning a route to mitigate climate change.It needs to be emphasized that there is still a gap to achieve the Paris Agreement 2-degree target with current NDC efforts,let alone the ambitious 1.5-degree target.All countries need to pursue stricter reduction policies for a more sustainable world.

A New Parameter of Cleanability to Determine the Clean Potential of Coal Resources

Objective This work is based on analysis on large numbers of coal data such as the latest national coal potential evaluation data and previous data published by REN Deyi, TANG Xiuyi and LU Xukun, and the evaluation methods of clean potential of coal resources proposed by predecessors. It is found that previous method rank coal is only in accordance with raw coal or washed coal, which fail to take full account of the changes in elements before and after coal washing. Some elements can be removed by washing or other methods, and others may be even enriched after the coal is washed. For this reason, this work defined a new parameter of cleanability and developed its calculation formula to determine the clean potential of coal resources. Cleanability is a comprehensive indicator based on the removal rate of each indicator harmful element in coal. The clean potential of coal is proportional to the value of cleanability. The higher the cleanability value is, the better the clean potential is, and vice versa.

Numerical Experiment of Combined Infrared and Ultraviolet Radiation Remote Sensing to Determine the Profile and Total Content of Atmospheric Ozone

A new remote sensing method is described to determine the vertical distribution and total content of atmospheric ozone. The method combines surface infrared, satellite infrared and ultraviolet channels. The width of the infrared channels is 0.01 cm-1, less than Lorentz half-width at the earth's surface, rather than the present width, because these channels can obtain information about variations in the ozone profile below the profile main-peak. The numerical experiments show that the method has a satisfactory precision in determining total ozone content, just about I percent error, and vertical distribution from the earth to 65 km space. In addition, some semi-analysis functions lor calculating backscattered ultraviolet and a relaxation equation are described in this paper.

KT Boundary Chromites Determined to be Terrestrial:Cr Isotopic Evidence for Excavation and Ejection of Mafic/Ultramafic Rocks by the KT Boundary Impact

Evidence for a mantle and/or basaltic component in KT boundary distal ejecta is apparently inconsistent with ejection from Chicxulub Crater since it is located on;5km thick continental crust（De Paolo et al.,1983;Montanari et al.,1983;Hildebrand and Boynton,1988,1990）.Evidence for mafic/ultramafic target rocks was reinforced by discovery of chromites,some with shock planar deformation features（PDF）,in impact layer samples from sites in southern Colorado and eastern Wyoming（Bohor et al.,1990）.However,until now it was unclear whether the chromites originated with an impactor or with terrestrial target rocks.To this end,high-precision 54Cr/52Cr isotope ratios were measured on KT boundary chromites along with known terrestrial chromites.We find a terrestrial 54Cr/52Cr ratio in KT boundary chromites from impact layer samples collected at the above sites over the last several years（Fig.1）.Ejected terrestrial chromites suggest the impact sampled terrestrial mafic and/or ultramafic target rocks not known to exist in the Chicxulub target area.

determine用法种种

determine v.“决心、决定”。

再论DETERMINER

Determiner 是国外语言学家提出的话法术语,在各种语法著作中当做词类介绍,国内语言学界将其译为"限定词"。作者在分析了其来源、构成、分类及作用等后,提出 Determiner 不应被视作"词",而应看作是词组成分,可译为"限定语"。

An Improved Experiment to Determine the‘Past of a Particle’in the Nested Mach-Zehnder Interferometer

We argue that the modification proposed by Li et al. [Chin. Phys. Lett. 32 （2015）050303] to the experiment of Danan et al. [Phys. Rev. Lett. 111 （2013） 240402] does not test the past of the photon as characterized by local weak traces. Instead of answering the questions： （i） were the photons in A？ （ii） were the photons in B？ and （iii） were the photons in C？ the proposed experiment measures a degenerate operator answering the questions： （i） were the photons in A？ and （ii） were the photons in B and C together？ A negative answer to the last question does not tell us if photons were present in B or C. On the other hand, a simple variation of the proposal by Li et al. does provide conceptually better evidence for the past of the pre- and post-selected photon, but this evidence will be in agreement with the results of Danan et al.

Carrier Dynamics Determined by Carrier-Phonon Coupling in InGaN/GaN Multiple Quantum Well Blue Light Emitting Diodes

Phonon sidebands in the electrolumiescence(EL) spectra of InGaN/GaN multiple quantum well blue light emitting diodes are investigated. S-shaped injection current dependence of the energy spacing(ES) between the zero-phonon and first-order phonon-assisted luminescence lines is observed in a temperature range of 100–150 K.The S-shape is suppressed with increasing temperature from 100 to 150 K, and vanishes at temperature above200 K. The S-shaped injection dependence of ES at low temperatures could be explained by the three stages of carrier dynamics related to localization states:(i) carrier relaxation from shallow into deep localization states,(ii) band filling of shallow and deep localization states, and(iii) carrier overflow from deep to shallow localization states and to higher energy states. The three stages show strong temperature dependence. It is proposed that the fast change of the carrier lifetime with temperature is responsible for the suppression of S-shaped feature.The proposed mechanisms reveal carrier recombination dynamics in the EL of InGaN/GaN MQWs at various injection current densities and temperatures.

The Structural Stability of Alpha-Helix Determined by the Preference of Amino Acids

To accomplish their functions, proteins have to achieve different conformations accompanied by conformational transitions. However, the relationship between the preference of amino acids and the stability of the secondary structure is still unclear. Here we perform molecular simulations on a series of helical structures. Our data show that the dissociation energy of the helical structure is related to the preference of amino acids, and the electrostatic repulsion of the residue i and i ＋ 3/4 with the same sign of charge destabilizes the alpha helix.

Comparing and evaluating the nationally determined contributions of the top six emitters under the Paris Agreement goals

Comparing and evaluating the Nationally Determined Contribution(NDC) is an important element in global stocktake in the post-Paris climate negotiations, aimed at closing the emissions gap with the Paris Agreement goals. To date, however, there has still been no explicit guideline or method. By applying emissions allowance allocated by 16 schemes as benchmarks, this paper tries to compare and evaluate the NDCs of the top six emitters, which jointly account for about 70% of the world's CO_2 emissions. Results show that the four developed countries' NDCs lack ambition with respect to most allocations under 2℃ and all under 1.5℃, indicating they need to substantially ratchet up their NDCs and lead elevating mitigation. Evaluating cumulative emissions is more likely to clarify the ambition and fairness of China's NDC. If considering cumulative emissions, China's NDC is aligned with the median of cumulative allowances under 2℃ and within the 1.5℃ range. The Paris Agreement invited the Parties to communicate the mid-century low emissions strategies. This paper also tries to explore the mid-century mitigation in the perspective of allocations, which might provide decision-makers with some useful information when envisaging the post-NDC mitigation.

Rectification of Ion Current Determined by the Nanopore Geometry:Experiments and Modelling

We provide a way to precisely control the geometry of a SiNx nanopore by adjusting the applied electric pulse. The pore is generated by applying the current pulse across a SiNx membrane, which is immersed in potassium chloride solution. We can generate single conical and cylindrical pores with different electric pulses. A theoretical model based on the Poisson and Nernst-Planck equations is employed to simulate the ion transport properties in the channel. In turn, we can analyze pore geometries by fitting the experimental current-voltage （I-V） curves. for the conical pores with a pore size of 0.5-2nm in diameter, the slope angles are around -2.5% to -10%. Moreover, the pore orifice can be enlarged slightly by additional repeating pulses. The conic pore lumen becomes close to a cylindrical channel, resulting in a symmetry I-V transport under positive and negative biases. A qualitative understanding of these effects will help us to prepare useful solid-nanopores as demanded.

An Ideal Experiment to Determine the ’Past of a Particle’ in the Nested Mach-Zehnder Interferometer

An ideal experiment is designed to determine the past of a particle in the nested Mach-Zehnder interferometer （MZI） by using standard quantum mechanics with quantum non-demolition measurements. We find that when the photon reaches the detector, it only follows one arm of the outer interferometer and leaves no trace in the inner MZI. When it goes through the inner MZI, it cannot reach the detector. Our result obtained from the standard quantum mechanics contradicts the statement based on two-state vector formulism, ＇the photon did not enter the （inner） interferometer, the photon never left the interferometer, but it was there＇. Therefore, the statement and also the overlapping claim are incorrect.

Computational Intelligence Determines Effective Rationality

Rationality is a fundamental concept in economics. Most researchers will accept that human beings are not fully rational. Herbert Simon suggested that we are ＂bounded rational＂. However, it is very difficult to quantify ＂bounded rationality＂, and therefore it is difficult to pinpoint its impact to all those economic theories that depend on the assumption of full rationality. Ariel Rubinstein proposed to model bounded rationality by explicitly specifying the decision makers＇ decision-making procedures. This paper takes a computational point of view to Rubinstein＇s approach. From a computational point of view, decision procedures can be encoded in algorithms and heuristics. We argue that, everything else being equal, the effective rationality of an agent is determined by its computational power - we refer to this as the computational intelligence determines effective rationality （CIDER） theory. This is not an attempt to propose a unifying definition of bounded rationality. It is merely a proposal of a computational point of view of bounded rationality. This way of interpreting bounded rationality enables us to （computationally） reason about economic systems when the full rationality assumption is relaxed.

FINITE ELEMENT METHOD COMBINED WITH DYNAMIC PHOTOELASTIC ANALYSIS TO DETERMINE DYNAMIC STRESS-INTENSITY FACTORS

The present paper is addressed to the finite element method combined with dynamic photoelastic analysis of propagating cracks, that is, on the basis of [1] by Chien Wei-zang, finite elements which incorporate the propagating crack-tip singularity intrinsic to two-dimensional elasticity are employed. THe relation between crack opening length and time step obtained from dynamic photoelaslie analysis is used as a definite condition for solving the dynamic equations and simulating the crack propagations as well As an example, the impact response of dynamie-bending-test specimen is investigated and the dynamic stress-intensity factor obtained from the mentioned finite element analysis and dynamic photoelasticity is in reasonable agreement with each other.

Electronic and Optical Properties of TiS2 Determined from Generalized Gradient Approximation Study

The electronic and optical properties of TiS2 are studied of density functional theory. A linearized and augmented by using an ab-initio calculation within the frame plane wave basis set with the generalized gradient approximation as proposed by Perdew et al. is used for the energy exchange-correlation determination. The results show a metallic character of TiS2, and the plots of total and partial densities of states of TiS2 show the metallic character of the bonds and a strong hybridization between the states d of Ti and p of S below the Fermi energy. The optical properties of the material such as real and imaginary parts of dielectric constant （ε（w） = ε1（w） ＋ iε2（w））, refractive index n（w）, optical reflectivity R（w）, for E / /x and E / /z are performed for the energy range of 0-.14 eV.

Identification of Three Interactions to Determine the Conformation Change and to Maintain the Function of Kir2.1 Channel Protein

We find that a conserved mutation residue Glu to residue Asp （E303D）, which both have the same polar and charged properties, makes Kit2.1 protein lose its function. To understand the mechanism, we identify three interactions which control the conformation change and maintain the function of the Kit2.1 protein by combining homology modeling and molecular dynamics with targeted molecular dynamics. We find that the E303D mutation weakens these interactions and results in the loss of the related function. Our data indicate that not only the amino residues but also the interactions determine the function of proteins.