General Atom Research Articles

Spent Time of Orbiting Eletron Generating the Quantized Energy En in the Hydrogen Like Atom

Despite the large literature on hydrogen-like atoms, one cannot find any mention as to how long an electron spends in the orbit to generate the quanized radiation energy En. Here, the Heisenberg representation of operators is exteded so as to be able to deal also with imverse oprators. This is necessary when dealing with Coulomb potentials. This then allows to write down the general hydrogen-like atom in a compact form. With the help of operator algebra that includes also the inverse operators, one arrives at the differential equation of the electron trajectory with respect to time.The time solution is achieved through established coupled integral equations. While already established quantized radiation electron energy En is proportional to 1/n2, the newely derived quantized electron circular time tn(e) is proportional to n3 with n=1,2,3,..,and tn(e) being of the order of 10−16 sec in magnitude.

Modular and Diverse Synthesis of Acrylamides by Palladium‐Catalyzed Hydroaminocarbonylation of Acetylene

AbstractThe development of all kinds of covalent drugs had a major impact on the improvement of the human health system. Covalent binding to target proteins is achieved by so‐called electrophilic warheads, which are incorporated in the respective drug molecule. In the last decade, specifically acrylamides emerged as attractive warheads in covalent drug design. Herein, a straightforward palladium‐catalyzed hydroaminocarbonylation of acetylene has been developed, allowing a modular and diverse synthesis of bio‐active acrylamides. This general protocol features high atom efficiency, wide functional group compatibility, high chemoselectivity and proceeds additive free under mild reaction conditions. The synthetic utility of this protocol is showcased in the synthesis of ibrutinib, osimertinib, and other bio‐active compound derivatives.

Modular and Diverse Synthesis of Acrylamides by Palladium-Catalyzed Hydroaminocarbonylation of Acetylene.

The development of all kinds of covalent drugs had a major impact on the improvement of the human health system. Covalent binding to target proteins is achieved by so-called electrophilic warheads, which are incorporated in the respective drug molecule. In the last decade, specifically acrylamides emerged as attractive warheads in covalent drug design. Herein, a straightforward palladium-catalyzed hydroaminocarbonylation of acetylene has been developed, allowing a modular and diverse synthesis of bio-active acrylamides. This general protocol features high atom efficiency, wide functional group compatibility, high chemoselectivity and proceeds additive free under mild reaction conditions. The synthetic utility of this protocol is showcased in the synthesis of ibrutinib, osimertinib, and other bio-active compound derivatives.

Generalized Optical Bloch Equations for a General Three-Level Atom Interacting with a Linearly Polarized Light in the Rotating Wave and Electric Dipole Approximations

Generalized Optical Bloch Equations for a General Three-Level Atom Interacting with a Linearly Polarized Light in the Rotating Wave and Electric Dipole Approximations

Two-Dimensional Covalent Organic Frameworks as Tailor-Made Scaffolds for Water Harvesting.

Developing materials to harvest water from the air is of great importance to alleviate the water shortage for people living in arid regions, where the annual average relative humidity (RH) is lower than 0.4. In this work, we report a general nitrogen atom incorporation strategy to prepare high-performance covalent organic frameworks (COFs) for water harvesting from the air in arid areas. A series of COFs, namely COF-W1, COF-W2, and COF-W3 were developed for this purpose. Different contents of nitrogen were embedded into COFs by incorporating pyridine units into the building blocks. With the increasing content of nitrogen from COF-W1 to COF-W3, the inflection points of their water isotherms shift distinctly from RH values from 0.65 to 0.25. Significantly, COF-W3 exhibits the lowest inflection point at a low RH value of 0.25 and reaches a high uptake capacity of 0.28 g g-1 at 25 °C with a low hysteresis loop. Moreover, the gram-scale COF-W3 retains its high performance, which renders it more attractive in water harvesting. This work demonstrates the feasibility of this nitrogen incorporation strategy to acquire high-performance COFs as water harvesters in the future.

Electrochemical Syntheses of Heterocyclic Compounds Using Transition Metal Catalysts

AbstractIn this review, we present the development of the electrochemical synthesis of heterocyclic compounds catalyzed by transition metal salts and their complexes since 2000. The review is presented as synthesis of nitrogen and oxygen containing heterocycles. The review reflects the applications of transition metal catalysts in the synthesis of aza‐ and oxa‐heterocycles. All reactions are green since they avoid the requirement of chemical oxidants. Electricity as sole oxidant is used to regenerate the active metal catalyst. Thus, in general atom economies of organic electrochemical reactions are high. Nevertheless, use of electrolytes does not affect atom economy. However, one should consider catalytic amount of electrolytes rather than equivalent amount to make electrochemical reactions much green.

The single- and two-photon scattering in the waveguide QED coupling to a giant atom

The giant atom, which means the nonlocal atom-waveguide coupling, gives lots of newfangled physics. In this paper, we study the single- and two-photon scattering in the waveguide quantum electrodynamics on a two-level giant atom. For single-photon scattering, we find that the transmission rate is dependent on the atomic size. For the two-photon scattering, using a reasonable wave function hypothesis, we can get the two-photon scattering state, which consists of the symmetric and anti-symmetric plane wave functions. The other eigenstate is the two-photon bound state, which is orthogonal to the two-photon scattering state. We find that the spatial extent of the two-photon bound state is related to the detuning between waveguide and atom, which is distinguished from the character of the general atom. Our study is beneficial to photon control and the fundamental research of the two-photon scattering.

Transport Parameters for Combustion Species Based on cAMOEBA Polarizable Force Field.

In this study, we report a simplified yet accurate general AMOEBA polarizable force field for combustion-interested molecular species, denoted as Combustion-AMOEBA or cAMOEBA. By eliminating the permanent atomic dipoles and quadrupoles, retaining the explicit polarization and defining the general atom types of each molecule species, including alkanes, alkenes, alkynes, alcohols, peroxides, and aldehydes, a simplified and general cAMOEBA force field was constructed and validated using the benchmark results obtained at the QCISD(T)/CBS level of theory. In this way, the tedious parametrization step for permanent atomic multipoles of each new molecule in the original AMOEBA (Poltype/MP2) force field could be avoided, hence providing the capability of accurate high-throughput calculation for a large number of molecules at lower computational cost. The averaged difference between the calculated transport parameters, σ and ε, for approximately 100 different molecules and four bath gases (He, Ne, Ar, and N2) using cAMOEBA and AMOEBA (Poltype/MP2) are of 0.09% and 1.27%, respectively, showing a good consistence of the general cAMOEBA force field with the original AMOEBA (Poltype/MP2) force field where the multipole force field parameters were obtained from quantum mechanical calculation for each small molecule. Our results also indicated that the Lorentz-Berthelot combination rule was more applicable than Waldman-Hagler for obtaining the molecular Lennard-Jones parameters of pure gases from one bath gas, while the Waldman-Hagler combination rule was better for obtaining such parameters from all four bath gases. The pure gas parameters obtained using cAMOEBA can be applied to develop high quality transport property database for combustion modeling.

Nonstationary signal extraction based on BatOMP sparse decomposition technique

Sparse decomposition technique is a new method for nonstationary signal extraction in a noise background. To solve the problem of accuracy and efficiency exclusive in sparse decomposition, the bat algorithm combined with Orthogonal Matching Pursuits (BatOMP) was proposed to improve sparse decomposition, which can realize adaptive recognition and extraction of nonstationary signal containing random noise. Two general atoms were designed for typical signals, and dictionary training method based on correlation detection and Hilbert transform was developed. The sparse decomposition was turned into an optimizing problem by introducing bat algorithm with optimized fitness function. By contrast with several relevant methods, it was indicated that BatOMP can improve convergence speed and extraction accuracy efficiently as well as decrease the hardware requirement, which is cost effective and helps broadening the applications.

Study of grain boundary self-diffusion in iron with different atomistic models

We studied grain boundary (GB) self-diffusion in body-centered cubic iron using ab initio calculations and molecular dynamics simulations with various interatomic potentials. A combination of different models allowed us to determine the principal characteristics of self-diffusion along different types of GBs. In particular, we found that atomic self-diffusion in symmetric tilt GBs is mostly driven by self-interstitial atoms. In contrast, in general GBs atoms diffuse predominantly via an exchange mechanism that does not involve a particular defect but is similar to diffusion in a liquid. Most observed mechanisms lead to a significant enhancement of self-diffusion along GBs as compared to diffusion in the bulk. The results of simulations are verified by comparison with available experimental data.

Sophisticated Resource Orchestration and Incorporating in ATOM

The rise of Infrastructure as a Service system brings new chances that conjointly go with newdifficulties in auto-scaling, asset allotment, and security. A basic test supporting these issues is that the consistent following and observing of asset utilization inside the framework. This paper, we will in general present ATOM, A productive and compelling structure to naturally track, screen, and arrange asset utilization in an Infrastructure as a Service (IaaS) framework that is wide utilized in cloud foundation. we will in general utilize novel trailing strategy to constantly follow fundamental framework use measurements with low overhead and build up a Principal part Analysis (PCA) essentially based way to deal with perpetually screen and naturally see inconsistencies bolstered the approximated trailing results. we will in general demonstrate an approach to powerfully set the trailing limit upheld the discovery results, and that's only the tip of the iceberg, an approach to manage trailing standard to affirm its optimality underneath unique outstanding tasks at hand. In conclusion, when potential oddities square measure known, we will in general use thoughtfulness instruments to perform memory legal sciences on VMs guided by dissected outcomes from trailing and checking to spot vindictive conduct inside a VM. we will in general exhibit the extensibility of ATOM through virtual machine (VM) bundle. The execution of our structure is assessed in AN open supply IaaS framework.

Study of Grain Boundary Self-Diffusion in Iron with Different Atomistic Models

We studied grain boundary (GB) self-diffusion in body-centered cubic iron using ab initio calculations and molecular dynamics simulations with various interatomic potentials. A combination of different models allowed us to determine the principal characteristics of self-diffusion along different types of GBs. In particular, we found that atomic self-diffusion in symmetric tilt GBs is mostly driven by self-interstitial atoms. In contrast, in general GBs atoms diffuse predominantly via an exchange mechanism that does not involve a particular defect but is similar to diffusion in a liquid. Most observed mechanisms lead to a significant enhancement of self-diffusion along GBs as compared to diffusion in the bulk. The results of simulations are verified by comparison with available experimental data.

Free Radical Addition of Nitrile, Ketone, and Ester to Alkyne and the Selectivity Discussion.

A general and practical atom transfer radical addition (ATRA) of simple nitriles, ketones, and esters to alkynes was developed. It can allow an efficient access to a wide range of β,γ-unsaturated nitriles, ketones, and esters. The unique chemoselectivity in this system is also discussed.

An Efficient and Effective Framework to Track, Monitor, and Orchestrate Resource Usage in an Infrastructure as a Service

The development of Infrastructure as a Service system brings new chances, which additionally goes with new difficulties in auto scaling, asset allotment, and security. A key test supporting these issues is the persistent following and checking of asset utilization in the framework. This paper, we will in general present ATOM, a proficient and compelling structure to naturally follow, screen, and coordinate asset use in a framework which is generally utilized in cloud foundation. We utilize novel following technique to constantly follow significant framework use measurement, and build up a Principal Component Analysis based way to deal with persistently screen and consequently discover oddities dependent on the approximated following outcomes. We tell the best way to powerfully set the following limit dependent on the identification results, and further, how to change following calculation to guarantee its optimality under unique remaining tasks at hand. We show the flexibility of ATOM over virtual machine (VM) bunching. In conclusion, when likely peculiarities are recognized, we will in general use thoughtfulness devices to perform memory legal sciences on VMs guided by examined comes about because of following and checking to distinguish malignant conduct inside a VM. We assess the presentation of our structure in a framework.

Validation of the Korean Version of Attitudes Toward Motherhood Scale (AToM) in Pregnant Women

Objectives The purpose of this study was to verify the validity and reliability of Sockol's Attitudes Towards Motherhood Scale (AToM). Methods The subjects of this study were 534 pregnant women. The factor structure, reliability and validity of the AToM scale were examined, and SPSS 23.0 and Mplus 7.4 were used for all data analyses. Results The results of exploratory factor analysis revealed that 12-items were composed of 3-factor structure (beliefs related to others’ judgments, beliefs related to maternal responsibility, beliefs related to maternal role idealization). The 12-items were found to be significant correlations among items and the reliability coefficient was .86. The results of the confirmatory factor analysis showed that the 3-factor model and the factor loadings were found to be appropriate. Validity analysis showed that general dysfunctional attitudes, pregnancy stress, happiness, and AToM had significant correlations, so criterion validity were verified. Conclusion Based on the results of this study, we discussed the application of the AToM scale and implications for future research. Keywords: attitudes towards motherhood scale, validity, pregnant women

Online Heat Load Test and Analysis for the Whole 5-K GA Feeder System

Heat conduction load test is a main and tough issue in the complex and huge general atom (GA) feeder system cold test. The GA feeder system is a superconducting system connects from the room temperature power supply system to the 4.5-K busbar of the magnet, supply 52 kA current and cryogenic provisions to the central solenoid magnet (CSM) coil, used for International Thermonuclear Experimental Reactor CSM magnet test at General Atomics Company, San Diego, CA, USA. This system have been developed and constructed at the Institute of Plasma Physics, Chinese Academy of Sciences, and completed the full cold test before transferred to the USA. In all the cold test items, the requirement of overall heat load 68 W is a big challenge, for its many leakage heat sources and cooling circuits: high temperature superconducting current lead, vacuum barrier, busbars, pipes, supports, etc. In order to get the steady results, many efforts were took to achieve the required value, such as reduce the inlet pressure of the 5-K loop as much as possible, minimize the flow rate of different 5-K cooling circuits, and at the same time, a dedicated program was developed to online calculate the density and the heat load while monitoring and analyzing the heat load. This paper will give a detail description of the 5-K overall heat load measurement.

Model-independent determinations of the electron EDM and the role of diamagnetic atoms

We perform model-independent analyses extracting limits for the electric dipole moment of the electron and the P,T-odd scalar-pseudoscalar (S-PS) nucleon-electron coupling from the most recent measurements with atoms and molecules. The analysis using paramagnetic systems, only, is improved substantially by the inclusion of the recent measurement on HfF+ ions, but complicated by the fact that the corresponding constraints are largely aligned, owing to a general relation between the coefficients for the two contributions. Since this same relation does not hold in diamagnetic systems, it is possible to find atoms that provide essentially orthogonal constraints to those from paramagnetic ones. However, the coefficients are suppressed in closed-shell systems and enhancements of P,T-odd effects are only prevalent in the presence of hyperfine interactions. We formulate the hyperfine-induced time-reversal-symmetry breaking S-PS nucleon-electron interaction in general atoms in a mixed perturbative and variational approach, based on electronic Dirac-wavefunctions including the effects of electron correlations. The method is applied to the Hg atom, yielding the first direct calculation of the coefficient of the S-PS nucleon-electron coupling in a diamagnetic system. This results in additionally improved model-independent limits for both the electron EDM and the nucleon-electron coupling from the global fit. Finally we employ this fit to provide indirect limits for several paramagnetic systems under investigation.

Two-body entanglement in a dilute gas of Rydberg atoms

Since the establishment of quantum mechanics, quantum entanglement has become one of the most important realms in quantum physics. On the one hand, it reflects some of the most fascinating features, such as quantum coherence, probability and non-locality and so on. On the other hand, it proves to be an indispensable resource of quantum information processing and quantum computation, which is considered to greatly promote the development of human science and technology. In the past decades, inspired by advances in quantum information theory and quantum physics, people have been searching for suitable systems with great enthusiasm to prepare the robust and manipulable quantum entanglement. Recently, Rydberg atoms have been considered to be a good candidate for many quantum information and quantum computation tasks. Compared with general neutral atoms, Rydberg atoms with large principal quantum number have several advantages in the quantum information and computation service. Firstly, they have finite lifetimes much larger than general neutral atoms, which indicates that the long-time entanglement between Rydberg atoms can be achieved. Secondly, due to the high-excitation level, Rydberg-excitation atoms have long-ranged dipole-dipole interaction much stronger than ground state atoms. This strong atomic interaction leads to the so-called blockade effect: when one atom is excited to Rydberg level, the excitation of the neighboring atoms will be strictly suppressed due to the energy shift induced by the strong atomic interaction. On the contrast, if the energy shift is compensated for by the detuning between the energy levels and the driven laser field, these atoms can be excited with higher probability simultaneously. These effects imply that Rydberg atoms provide an excellent platform for investigating the quantum information and quantum computation process, and many important achievements based on them have been achieved. Encouraged by these researches on entanglement and Rydberg atoms, in this paper, we study the steady-state and transient dynamical properties of two-body entanglement and the Rydberg-excitation properties in a dilute gas of Rydberg atoms, which can be represented by a tetrahedrally arranged interacting four-atom model. By solving numerically the master equation of four atoms involving Rydberg level, we investigate the higher-order Rydberg excitations and bipartite entanglement, which is estimated by concurrence. Our results show that the bipartite entanglement can only achieve its maximal value in the strongest dipole blockade regime rather than anti-blockade one (the high-order Rydberg excitations). Furthermore, the physical essence of quantum entanglement is analyzed theoretically in relevant regimes. Our work can naturally extend to more complicated atomic space structures, and might be treated as a good platform for fulfilling many quantum information tasks by employing the quantum entanglement.

Linear entropy and collapse–revival phenomenon for a general formalism N-type four-level atom interacting with a single-mode field

In this paper, the linear entropy and collapse–revival phenomenon through the relation ( $$\langle {\hat{a}}^{+}{\hat{a}} \rangle -{\bar{n}}$$ ) in a system of N-configuration four-level atom interacting with a single-mode field with additional forms of nonlinearities of both the field and the intensity-dependent atom-field coupling functional are investigated. A factorization of the initial density operator is assumed, considering the field to be initially in a squeezed coherent states and the atom initially in its most upper excited state. The dynamical behavior of the linear entropy and the time evolution of ( $$\langle {\hat{a}}^{+} {\hat{a}} \rangle -{\bar{n}}$$ ) are analyzed. In particular, the effects of the mean photon number, detuning, Kerr-like medium and the intensity-dependent coupling functional on the entropy and the evolution of ( $$\langle {\hat{a}}^{+} {\hat{a}} \rangle -{\bar{n}}$$ ) are examined.

Isomerization of N-Allyl Amides To Form Geometrically Defined Di-, Tri-, and Tetrasubstituted Enamides.

Enamides represent bioactive pharmacophores in various natural products, and have become increasingly common reagents for asymmetric incorporation of nitrogen functionality. Yet the synthesis of the requisite geometrically defined enamides remains problematic, especially for highly substituted and Z-enamides. Herein we wish to report a general atom economic method for the isomerization of a broad range of N-allyl amides to form Z-di-, tri-, and tetrasubstituted enamides with exceptional geometric selectivity. This report represents the first examples of a catalytic isomerization of N-allyl amides to form nonpropenyl disubstituted, tri- and tetrasubstituted enamides with excellent geometric control. Applications of these geometrically defined enamides toward the synthesis of cis vicinal amino alcohols and tetrasubstituted α-borylamido complexes are discussed.