Genome-resolved metagenomic analysis reveals different functional potentials of multiple Candidatus Brocadia species in a full-scale swine wastewater treatment system

The increasing application of anammox processes suggests their enormous potential for nitrogen removal in wastewater treatment facilities.However,the functional potentials and ecological differentiation of cooccurring anammox species in complex ecosystems have not been well elucidated.Herein,by utilizing functional reconstruction and comparative genome analysis,we deciphered the cooccurring mechanisms of four Candidatus Brocadia species that were spontaneously enriched in a full-scale swine wastewater treatment system.Phylogenetic analysis indicated that species SW172 and SW745 were closely related to Ca.Brocadia caroliniensis and Ca.Brocadia sapporoensis,respectively,whereas the dominant species SW510 and SW773,with a total average abundance of 34.1%,were classified as novel species of the genus Ca.Brocadia.Functional reconstruction revealed that the novel species SW510 can encode both cytochrome cd1-type nitrite reductase and hydroxylamine oxidase for nitrite reduction.In contrast,the detected respiratory pentaheme cytochrome c nitrite reductase and acetate kinase genes suggested that SW773 likely reduced nitrite to ammonium with acetate as a carbon source.Intriguingly,the presence of genes encoding urease and cyanase indicated that both novel species can use diverse organic nitrogen compounds in addition to ammonia and nitrite as substrates.Taken together,the recovery and comparative analysis of these anammox genomes expand our understanding of the functional differentiation and cooccurrence of the genus Ca.Brocadia in wastewater treatment systems.

Normalized Ground State Solutions of Nonlinear Choquard Equations with Nonconstant Potential

In this paper,we mainly focus on the following Choquard equation-{△u-V(x)(I_(a*)|u|^(p))|u|^(p-2)u=λu,x∈R^(N),u∈H^(1)(R^(N))where N≥1,λ∈R will arise as a Lagrange multiplier,0<a<N and N+a/N<p<N+a+2/N Under appropriate hypotheses on V(x),we prove that the above Choquard equation has a normalized ground state solution by utilizing variational methods.

An Elasto-plastic Damage Constitutive Theory Based on Pair Functional Potentials and Slip Mechanism

The deformation work rate can be expressed by the time rate of pair functional potentials which describe the energy of materi- als in terms of atomic bonds and atom embedding interactions. According to Cauchy-Born rule, the relations between the micro- scopic deformations of atomic bonds and electron gas and macroscopic deformation are established. Further, atomic bonds are grouped according to their directions, and atomic bonds in the same direction are simplified as a spring-bundle component. Atom embedding interactions in unit reference volume are simplified as a cubage component. Consequently, a material model com- posed of spring-bundle components and a cubage component is established. Since the essence of damage is the decrease and loss of atomic bonding forces, the damage effect can be reflected by the response functions of these two kinds of components. For- mulating the mechanical responses of two kinds of components, the corresponding elasto-damage constitutive equations are de- rived. Considering that slip is the main plastic deformation mechanism of polycrystalline metals, the slip systems of crystal are extended to polycrystalline, and the slip components are proposed to describe the plastic deformation. Based on the decomposition of deformation gradient and combining the plastic response with the elasto-damage one, the elasto-plastic damage constitutive equations are derived. As a result, a material model iormulated with spring-bundle components, a cubage component and slip components is established. Different from phenomenological constitutive theories, the mechanical property of materials depends on the property of components rather than that directly obtained on the representative volume element. The effect of finite deformation is taken into account in this model. Parameter calibration procedure and the basic characteristics of this model are discussed.

Functional evaluation using several evoked spinal cord potentials in elderly patients with cervical spondylotic myelopathy

BACKGROUND ： The recordings of evoked spinal cord potentials following epidural spinal cord stimulation are thought to be generated by volleys traversing the dorsal column pathway, and it may not directly reflect conduction defects in corticospinat tracts of cervical spinal cord. To our knowledge there has been few report using several evoked spinal cord potentials in function evaluation of the cervical spinal cord in eldedy patients with cervical spondylotic myelopathy （CSM）. OBJECTIVE： To investigate the function states of the cervical spinal cord in elderly patients with CSM and explore its pathophysictogic mechanism. DESIGN： Case observation SETTING ： Department of Orthopedics for the aged, Shenzhen Pingle Hospital of Orthopedics. Department of Orthopedic Surgery, Yamaguchi University School of Medicine. PARTICIPANTS ： A total of 23 eldedy patients with CSM who received treatment in the Department of Orthopedic Surgery, Yamaguchi University School of Medicine of Japan from January 2003 to February 2004 were enrolled in this study. Inclusive criteria： ① Multiple intervertebral levels of cervical spinal cord compression confirmed by MRI, e.g. 3 or more than 3 levels of compressin. ② Age ≥ 70 years old. ③ Numbness and sensory disturbance in the upper limbs and showed hyperreflexia in the lower limbs. Exclusive criteria： Patients with abnormal motor and sensory nerve conduction velocities in both upper and lower limbs were excluded. METHODS： Evoked spinal cord potentials （ESCPs） following transcranial electric stimulation （TCE-ESCPs）, epidural spinal cord stimulation （SpinaI-ESCPs） and median nerve stimulation （MN-ESCPs） were recorded in 23 patients from posterior epidural space intreoperatively. The abnormalities of TCE-ESCPs were defined as attenuation of amplitude of the D wave. The most cranial intervertebral level showing abnormal TCE-ESCPs with a marked reduction in size of the negative peak （reduction of over 50%） was considered as the upper level of the spinal cord lesion with respect to the corticospinal tract in white matter. The abnormalities of SpinaI-ESCPs were defined as marked reduction in the size of negative peak （reduction of over 50%）. The most caudal intervertebral level showing abnormal SpinaI-ESCPs was considered as the lower level of the spinal cord lesion with respect to the dorsal column pathway in white matter. The abnormalities of MN-ESCPs were defined as attenuation of the N13 amplitude,which was considered as the lesion level of the spinal cord with respect to the dorsal horn in gray matter. Radiological investigation： Lateral view of plain X-ray films was obtained in flexion and extension of the cervical spine. Instability of the cervical intervertebral level was determined as horizontal displacement of the vertebral body of over 3 mm. MAIN OUTCOME MEASURES ： The results of examination of TCE-ESCPs, SpinaI-ESCPs and MN-ESCPs in el- dedy patients with CSM. RESULTS： The 23 eldedy patients with CSM were participated in the result analysis. ①TCE-ESCPs： The impairment of the corticospinal tract in white matter at single intervertebral level was revealed in 18 of 23 patients by recordings of TCE-ESCPs （sensitivity 78%）. In the 18 patients, the lesion level was shown at the up- per cervical segment in 14 patients （C3-4n=10 and C4-5n=4）, and at the lower cervical segment in 4 patients （C5-6n=4）. ②Spinal-ESCPs： The impairment of the dorsal column pathway of white matter at single intervertebral level was revealed in 17 of 23 patients, by recordings of Spinal-ESCPs （sensitivity 74%）. In the 17 patients, the lesion level was presented at the upper cervical segment in 14 patients （C3-4n=10 and C4-5n=4）, and at the lower cervical segment in 3 patients （C5-6 n=3）. ③MN-ESCPs： All patients revealed abnormal MN-ESCPs at one or more intervertebral levels （sensitivity 100%）. The impairment at single intervertebral level was demonstrated in 17 patients, and the impairment at multiple intervertebral levels was shown in 4 patients （3 patients at the C3-4, C4-4, and C5-4~6, and one patient at the C4-5, C5-6, and C6-7）. ④Radiological findings： The Instability of the intervertebral level at the C3-4 or C4-5 motion segment was seen in 15 patients, with a total of 20 levels, and where 10 were at the C3-4 intervertebral level and 5 were at the C3-4, C4-5 intervertebral level. CONCLUSION ： The results suggest that in most elderly patients with CSM who have multiple intervertebral level compressions of the cervical spinal cord on MRI, white matter is impaired at the single cervical intervertebral level, and not only the dorsal column pathway, but also the corticospinal tract can be affected. Combined the findings of radiography, the excessive motion and instability of the C3-4 or C4-5 intervertebral level plays an important role in inducing the long tract lesion in elderly patients with CSM.

Path-Following Control With Obstacle Avoidance of Autonomous Surface Vehicles Subject to Actuator Faults

This paper investigates the path-following control problem with obstacle avoidance of autonomous surface vehicles in the presence of actuator faults,uncertainty and external disturbances.Autonomous surface vehicles inevitably suffer from actuator faults in complex sea environments,which may cause existing obstacle avoidance strategies to fail.To reduce the influence of actuator faults,an improved artificial potential function is constructed by introducing the lower bound of actuator efficiency factors.The nonlinear state observer,which only depends on measurable position information of the autonomous surface vehicle,is used to address uncertainties and external disturbances.By using a backstepping technique and adaptive mechanism,a path-following control strategy with obstacle avoidance and fault tolerance is designed which can ensure that the tracking errors converge to a small neighborhood of zero.Compared with existing results,the proposed control strategy has the capability of obstacle avoidance and fault tolerance simultaneously.Finally,the comparison results through simulations are given to verify the effectiveness of the proposed method.

Potential Function and Thermodynamic Property of UO

Potential energy scan for uranium oxide （UO） was performed by ab initio configuration inter- action （CI） method and density functional theory methods at the PBE1 and the B3LYP levels in combination with the （ECPSOMWB_AVQZ＋2f） basis set for uranium and 6-311＋G＊ for oxygen. The dissociation energies of UO, after being corrected for the zero-point vibrational energy, are 2.38, 3.76, and 3.31 eV at the CI, PBE1, and BaLYP levels, respectively. The calculated energy was fitted to potential functions of Morse, Lennard-Jones, and Rydberg. Only the Morse function is eligible for the potential. The anharmonieity constant is 0.00425. The anharmonic frequency is 540.95 em-1 deduced from the PBE1 results. Thermodynamic properties of entropy and heat capacity at 298.2-1500 K were calculated using DFT-UPBE1 results and Morse parameters. The relationship between entropy and temperature was established.

A Value for Games Defined on Graphs

Given a graph g=( V,A ) , we define a space of subgraphs M with the binary operation of union and the unique decomposition property into blocks. This space allows us to discuss a notion of minimal subgraphs (minimal coalitions) that are of interest for the game. Additionally, a partition of the game is defined in terms of the gain of each block, and subsequently, a solution to the game is defined based on distributing to each player (node and edge) present in each block a payment proportional to their contribution to the coalition.

A UNIVERSAL ANALYTIC POTENTIAL-ENERGY FUNCTION BASED ON A PHASE FACTOR

Using a field equation with a phase factor, a universal analytic potential-energy function applied to the interactions between diatoms or molecules is derived, and five kinds of potential curves of common shapes are obtained adjusting the phase factors. The linear thermal expansion coefficients and Young's moduli of eleven kinds of face-centered cubic (fcc) metals - Al, Cu, Ag, etc. are calculated using the potential-energy function; the computational results are quite consistent with experimental values. Moreover, an analytic relation between the linear thermal expansion coefficients and Young's moduli of fcc metals is given using the potential-energy function. Finally, the force constants of fifty-five kinds of diatomic moleculars with low excitation state are computed using this theory, and they are quite consistent with RKR (Rydberg-Klein-Rees) experimental values.

Potential-based obstacle avoidance in formation control

Based on the double integrator mathematic model, a new kind of potential function is presented in this paper by referring to the concepts of the electric field; then a new formation control method is proposed, in which the potential functions are used between agent-agent and between agent-obstacle, while state feedback control is applied for the agent and its goal. This strategy makes the whole potential field simpler and helps avoid some local minima. The stability of this combination of potential functions and state feedback control is proven. Some simulations are presented to show the rationality of this control method.

Structure and analytical potential energy function for the ground state of the BC^x （x=0, -1）

In this paper, the electronic states of the ground states and dissociation limits of BC and BC- are correctly determined based on group theory and atomic and molecular reaction statics. The equilibrium geometries, harmonic frequencies and dissociation energies of the ground state of BC and BC- are calculated by using density function theory and quadratic CI method including single and double substitutions. The analytical potential energy functions of these states have been fitted with Murrell-Sorbie potential energy function from our ab initio calculation results. The spectroscopic data （αe, ωe and ωeχe） of each state is calculated via the relation between analytical potential energy function and spectroscopic data. All the calculations are in good agreement with the experimental data.

Ab initio calculations of accurate dissociation energy and analytic potential energy function for the second excited state B^1∏ of ^7LiH

The reasonable dissociation limit of the second excited singlet state B1∏ of ^7LiH molecule is obtained. The accurate dissociation energy and equilibrium geometry of the B^∏ state are calculated using a symmetry-adaptedcluster configuration interaction method in full active space. The whole potential energy curve for the B1H state is obtained over the internuclear distance ranging from about 0.10 nm to 0,54 nm, and has a least-square fit to the analytic Murrell-Sorbie function form. The vertical excitation energy is calculated from the ground state to the B^1∏ state and compared with previous theoretical results. The equilibrium internuclear distance obtained by geometry optimization is found to be quite different from that obtained by single-point energy scanning under the same calculation condition. Based on the analytic potential energy function, the harmonic frequency value of the B^1∏ state is estimated. A comparison of the theoretical calculations of dissociation energies, equilibrium interatomic distances and the analytic potential energy function with those obtained by previous theoretical results clearly shows that the present work is more comprehensive and in better agreement with experiments than previous theories, thus it is an improvement on previous theories.

Neuroprotection against vascular dementia after acupuncture combined with donepezil hydrochloride：P300 event related potential

Acupuncture can be used to treat various nervous system diseases.Here,168 vascular dementia patients were orally administered donepezil hydrochloride alone（5 mg/day,once a day for 56 days）,or combined with acupuncture at Shenting（DU24）,Tianzhu（BL10）,Sishencong（Extra）,Yintang（Extra）,Renzhong（DU26）,Neiguan（PC6）,Shenmen（HT7）,Fengchi（GB20）,Wangu（GB12） and Baihui（DU20）（once a day for 56 days）.Compared with donepezil hydrochloride alone,P300 event related potential latency was shorter with an increased amplitude in patients treated with donepezil hydrochloride and acupuncture.Mini-Mental State Examination score was also higher.Moreover,these differences in P300 latency were identified within different infarcted regions in patients treated with donepezil hydrochloride and acupuncture.These findings indicate that acupuncture combined with donepezil hydrochloride noticeably improves cognitive function in patients with vascular dementia,and exerts neuroprotective effects against vascular dementia.

The Analytical Potential Energy Function of NH Radical Molecule in External Electric Field

The geometric structures of an Nit radical in different external electric fields are optimized by using the density functional B3P86/cc-PVSZ method, and the bond lengths, dipole moments, vibration frequencies and IR spectrum are obtained. The potential energy curves are gained by the CCSD （T） method with the same basis set. These results indicate that the physical property parameters and potential energy curves may change with the external electric field, especially in the reverse direction electric field. The potential energy function of zero field is fitted by the Morse potential, and the fitting parameters are in good accordance with the experimental data. The potential energy functions of different external electric fields are fitted adopting the constructed potential model. The fitted critical dissociation electric parameters are shown to be consistent with the numerical calculation, and the relative errors are only 0.27% and 6.61%, hence the constructed model is reliable and accurate. The present results provide an important reference for further study of the molecular spectrum, dynamics and molecular cooling with Stark effect.

Molecular properties and potential energy function model of BH under external electric field

Using the density functional B3P86/cc-PV5Z method, the geometric structure of BH molecule under different external electric fields is optimized, and the bond lengths, dipole moments, vibration frequencies, and other physical properties parameters are obtained. On the basis of setting appropriate parameters, scanning single point energies are obtained by the same method and the potential energy curves under different external fields are also obtained. These results show that the physical property parameters and potential energy curves may change with external electric field, especially in the case of reverse direction electric field. The potential energy function without external electric field is fitted by Morse potential, and the fitting parameters are obtained which are in good agreement with experimental values. In order to obtain the critical dissociation electric parameter, the dipole approximation is adopted to construct a potential model fitting the corresponding potential energy curve of the external electric field. It is found that the fitted critical dissociation electric parameter is consistent with numerical calculation, so that the constructed model is reliable and accurate. These results will provide important theoretical and experimental reference for further studying the molecular spectrum, dynamics, and molecular cooling with Stark effect.

Ab initio calculation on accurate analytic potential energy functions and harmonic frequencies of c^3∑g^＋ and B^1-Пu states of dimer 7Li2

The comparison between single-point energy scanning （SPES） and geometry optimization （OPT） in determining the equilibrium geometries of c^3∑g^＋ and B^1-Пu states of dimer 7Li2 is made at numerous basis sets by using a symmetryadapted-cluster configuration-interaztion （SAC-CI） method in the Gaussian 03 program package. In this paper the difference of the equilibrium geometries obtained by SPES and by OPT is reported. The results obtained by SPES are found to be more reasonable than those obtained by OPT in full active space at the present SAC-CI level of theory. And the conclusion is attained that the cc-PVTZ is a most suitable basis set for these states. The calculated dissociation energies and equilibrium geometries are 0.8818 eV and 0.3090 nm for c^3∑g^＋ state, and 0.3668 eV and 0.2932 nm for B^1-Пu state respectively. The potential energy curves are calculated over a wide internuclear distance range from about 2.5α0 to 37α0 and have a least-squares fit into the Murrell-Sorbie function. According to the calculated analytic potential energy functions, the harmonic frequencies （We） and other spectroscopic data （ωeXe, Be and αe） are calculated. Comparison of the theoretical determinations at present work with the experiments and other theories clearly shows that the present work is the most complete effort and thus represents an improvement over previous theoretical results.

Simulation of three-dimensional tension-induced cracks based on cracking potential function-incorporated extended finite element method

In the finite element method,the numerical simulation of three-dimensional crack propagation is relatively rare,and it is often realized by commercial programs.In addition to the geometric complexity,the determination of the cracking direction constitutes a great challenge.In most cases,the local stress state provides the fundamental criterion to judge the presence of cracks and the direction of crack propagation.However,in the case of three-dimensional analysis,the coordination relationship between grid elements due to occurrence of cracks becomes a difficult problem for this method.In this paper,based on the extended finite element method,the stress-related function field is introduced into the calculation domain,and then the boundary value problem of the function is solved.Subsequently,the envelope surface of all propagation directions can be obtained at one time.At last,the possible surface can be selected as the direction of crack development.Based on the aforementioned procedure,such method greatly reduces the programming complexity of tracking the crack propagation.As a suitable method for simulating tension-induced failure,it can simulate multiple cracks simultaneously.

A Simulated Annealing Algorithm for Training Empirical Potential Functions of Protein Folding

In this paper are reported the local minimum problem by means of current greedy algorithm for training the empirical potential function of protein folding on 8623 non-native structures of 31 globular proteins and a solution of the problem based upon the simulated annealing algorithm. This simulated annealing algorithm is indispensable for developing and testing highly refined empirical potential functions.

Audio-Visual Underdetermined Blind Source Separation Algorithm Based on Gaussian Potential Function

Most existing algorithms for the underdetermined blind source separation(UBSS) problem are two-stage algorithm, i.e., mixing parameters estimation and sources estimation. In the mixing parameters estimation, the previously proposed traditional clustering algorithms are sensitive to the initializations of the mixing parameters. To reduce the sensitiveness to the initialization, we propose a new algorithm for the UBSS problem based on anechoic speech mixtures by employing the visual information, i.e., the interaural time difference(ITD) and the interaural level difference(ILD), as the initializations of the mixing parameters. In our algorithm, the video signals are utilized to estimate the distances between microphones and sources, and then the estimations of the ITD and ILD can be obtained. With the sparsity assumption in the time-frequency domain, the Gaussian potential function algorithm is utilized to estimate the mixing parameters by using the ITDs and ILDs as the initializations of the mixing parameters. And the time-frequency masking is used to recover the sources by evaluating the various ITDs and ILDs. Experimental results demonstrate the competitive performance of the proposed algorithm compared with the baseline algorithms.

The theoretical study on the potential energy curves for X^1Σ^+, A^1Π and C^1Σ^- states of SiO molecule

This paper applies the symmetry-aziapted-cluster/symmetry-adapted-cluster configuration-interaction （SAC/SACCI） method to optimize the structures for X^1∑^＋, A^1 Ⅱ and C^1 ∑^- states of SiO molecule with the basis sets D95＋＋, 6-311＋＋G and 6-311＋＋G^＊＊. Comparing the obtained results with the experiments, it gets the conclusion that the basis set 6-311＋＋G^＊＊ is most suitable for the optimal structure calculations of X^1.∑^＋, A^Ⅱ and C^1∑^- states of SiO molecule. The whole potential energy curves for these electronic states are further scanned by using SAC/6-311＋＋G^＊＊ method for the ground state and SAC-CI/6-311＋＋G^＊＊ method for the excited states, then use a least square method to fit Murrell^Sorbie functions, at last the spectroscopic constants and force constants are calculated, which are in good agreement with the experimental data.

The theoretical study on the potential energy curve for X^3△ state of TiO molecule

This paper applies the density functional theory method to optimise the structure for X3A state of TiO molecule with the basis sets 6-31G, 6-31＋＋G and 6-311G^＊＊. Comparing the attained results with the experiments, it obtains the conclusion that the basis set 6-31＋＋G is most suitable for the optimal structure calculations of X3A state of TiO molecule. The whole potential energy curve for the electronic state is further scanned by using B3P86/6-31＋＋G method for the ground state, then it uses a least square fitted to Murrell-Sorbie functions, at last it calculates the spectroscopic constants and force constants, which are in better agreement with the experimental data.