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Information gathering and processing with fluorescent molecules

Brian DALY,Jue LING,A. Prasanna de SILVA

Frontiers of Chemical Science and Engineering 2014, Volume 8, Issue 2, Pages 240-251 doi: 10.1007/s11705-014-1432-z

Abstract: Molecular information gathering and processing — a young field of applied chemistry — is undergoing goodWe then examine molecular emulation of various Boolean logic gates carrying one, two or three inputs.Special systems, such as ‘lab-on-a-molecule’ and molecular keypad locks, also receive attention.

Keywords： molecular logic molecular computation molecular sensor fluorescent molecular device fluorescent sensor

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Computation of the protein molecular mechanism using adaptive dihedral angle increments

Mikel DIEZ, Victor PETUYA, Mónica URIZAR, Erik MACHO, Oscar ALTUZARRRA

Frontiers of Mechanical Engineering 2013, Volume 8, Issue 1, Pages 104-108 doi: 10.1007/s11465-013-0360-9

Abstract:

Protein motion simulation is still a troublesome problem yet to be solved, especially due to its high computational requirements. The procedure presented in this paper makes use of the proteins’ real degrees of freedom (DOFs). The procedure makes no use of any intermediate energy minimization processes that may alter the motion path or result in very high computational cost requirements. In order to reduce the computational cost, presented algorithms make use of the balls and rods approach for protein structure modelization. Also, structures are normalized in order to minimize inaccuracies introduced by experimental methods, providing a more efficient but still accurate structure for motion simulation.

Keywords： kinematics serial robot proteins folding molecular mechanism

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Current Status and Future Development of Quantum Computation

Li Xiaowei, Fu Xiang, Yan Fei, Zhong Youpeng, Lu Chaoyang, Zhang Junhua, He Yu, Yu Shi, Lu Dawei, Xin Tao, Chen Jilei, Lin Benchuan, Zhang Zhensheng, Liu Song, Chen Yuanzhen, Yu Dapeng

Strategic Study of CAE 2022, Volume 24, Issue 4, Pages 133-144 doi: 10.15302/J-SSCAE-2022.04.016

Abstract: computation, silicon-based quantum computation, as well as other systems.quantum computation, distributed superconducting quantum computation, photonic quantum computation,computation in future.computation, nitrogen-vacancy (NV) centers in diamond, NMR quantum computation, quantum computationearly development of the trapped-ion system benefited from mature experimental techniques of atomic/molecular

Keywords： quantum computation quantum algorithm control system of quantum computation quantum software superconductingquantum computation distributed quantum computation trapped-ion quantum computation silicon-basedquantum computation photonic quantum computation neutral atom quantum computation nitrogen-vacancycolor center in diamond nuclear magnetic resonance quantum computation quantum computation with spinwave topological quantum computation

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HIGH-PERFORMANCE COMPUTATION AND ARTIFICIAL INTELLIGENCE IN PESTICIDE DISCOVERY: STATUS AND OUTLOOK

Frontiers of Agricultural Science and Engineering 2022, Volume 9, Issue 1, Pages 150-154 doi: 10.15302/J-FASE-2021419

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Spectral element modeling based structure piezoelectric impedance computation and damage identification

Zhigang GUO, Zhi SUN

Frontiers of Structural and Civil Engineering 2011, Volume 5, Issue 4, Pages 458-464 doi: 10.1007/s11709-011-0133-7

Abstract: This paper presents a numerical simulation study on electromechanical impedance technique for structural damage identification. The basic principle of impedance based damage detection is structural impedance will vary with the occurrence and development of structural damage, which can be measured from electromechanical admittance curves acquired from PZT patches. Therefore, structure damage can be identified from the electromechanical admittance measurements. In this study, a model based method that can identify both location and severity of structural damage through the minimization of the deviations between structural impedance curves and numerically computed response is developed. The numerical model is set up using the spectral element method, which is promised to be of high numerical efficiency and computational accuracy in the high frequency range. An optimization procedure is then formulated to estimate the property change of structural elements from the electric admittance measurement of PZT patches. A case study on a pin-pin bar is conducted to investigate the feasibility of the proposed method. The results show that the presented method can accurately identify bar damage location and severity even when the measurements are polluted by 5% noise.

Keywords： PZT piezoelectric impedance optimization spectral element damage identification

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Iteration framework for solving mixed lubrication computation problems

Frontiers of Mechanical Engineering 2021, Volume 16, Issue 3, Pages 635-648 doi: 10.1007/s11465-021-0632-8

Abstract: The general discrete scheme of time-varying Reynolds equation loses the information of the previous step, which makes it unreasonable. A discretization formula of the Reynolds equation, which is based on the Crank–Nicolson method, is proposed considering the physical message of the previous step. Gauss–Seidel relaxation and distribution relaxation are adopted for the linear operators of pressure during the numerical solution procedure. In addition to the convergent criteria of pressure distribution and load, an estimation framework is developed to investigate the relative error of the most important term in the Reynolds equation. Smooth surface with full contacts and mixed elastohydrodynamic lubrication is tested for validation. The asperity contact and sinusoidal wavy surface are examined by the proposed discrete scheme. Results show the precipitous decline in the boundary of the contact area. The relative error suggests that the pressure distribution is reliable and reflects the accuracy and effectiveness of the developed method.

Keywords： mixed lubrication discretization formula relative error Reynolds equation asperity

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Scientific computation of big data in real-world clinical research

Guozheng Li,Xuewen Zuo,Baoyan Liu

Frontiers of Medicine 2014, Volume 8, Issue 3, Pages 310-315 doi: 10.1007/s11684-014-0358-7

Abstract: This study describes the origin, concept, connotation, and value of studies regarding the scientific computation

Keywords： big data real world clinical research Chinese medicine medical computing

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Multiscale computation on feedforward neural network and recurrent neural network

Bin LI, Xiaoying ZHUANG

Frontiers of Structural and Civil Engineering 2020, Volume 14, Issue 6, Pages 1285-1298 doi: 10.1007/s11709-020-0691-7

Abstract: Computational homogenization methods for nonlinear material and implementation of offline multiscale computation

Keywords： multiscale method constitutive model feedforward neural network recurrent neural network

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Analytical model and finite element computation of braking torque in electromagnetic retarder

Lezhi YE,Guangzhao YANG,Desheng LI

Frontiers of Mechanical Engineering 2014, Volume 9, Issue 4, Pages 368-379 doi: 10.1007/s11465-014-0314-x

Abstract:

An analytical model has been developed for analyzing the braking torque in electromagnetic retarder by flux tube and armature reaction method. The magnetic field distribution in air gap, the eddy current induced in the rotor and the braking torque are calculated by the developed model. Two-dimensional and three-dimensional finite element models for retarder have also been developed. Results from the analytical model are compared with those from finite element models. The validity of these three models is checked by the comparison of the theoretical predictions and the measurements from an experimental prototype. The influencing factors of braking torque have been studied.

Keywords： electromagnetic retarder magnetic field distribution magnetic circuit finite element method

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Special issue on “Molecular Sensors and Molecular Logic Gates”

Luling Wu , Tony D. James

Frontiers of Chemical Science and Engineering 2022, Volume 16, Issue 1, Pages 1-3 doi: 10.1007/s11705-021-2134-y

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Design of bio-oil additives via molecular signature descriptors using a multi-stage computer-aided molecular

Frontiers of Chemical Science and Engineering 2022, Volume 16, Issue 2, Pages 168-182 doi: 10.1007/s11705-021-2056-8

Abstract: In this work, computer-aided molecular design tools were developed to design optimal solvents to upgradeAs different property prediction models consist different levels of structural information, molecularDue to the combinatorial nature of higher-order signatures, the complexity of a computer-aided molecular

Keywords： computer-aided molecular design bio-oil additives molecular signature descriptor

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Progress on molecular biomarkers and classification of malignant gliomas

Chuanbao Zhang, Zhaoshi Bao, Wei Zhang, Tao Jiang

Frontiers of Medicine 2013, Volume 7, Issue 2, Pages 150-156 doi: 10.1007/s11684-013-0267-1

Abstract: Great efforts have been made to incorporate new information about the molecular landscape of gliomas

Keywords： malignant glioma molecular biomarker IDH1 MGMT molecular classification

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Molecular classification and molecular targeted therapy of cancer

Miao Xu, Jianyong Shao, Yixin Zeng

Frontiers of Medicine 2013, Volume 7, Issue 2, Pages 147-149 doi: 10.1007/s11684-013-0274-2

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Incentive-Aware Blockchain-Assisted Intelligent Edge Caching and Computation Offloading for IoT Article

Qian Wang, Siguang Chen, Meng Wu

Engineering 2023, Volume 31, Issue 12, Pages 127-138 doi: 10.1016/j.eng.2022.10.014

Abstract: In this paper, we propose an incentive-aware blockchain-assisted intelligent edge caching and computation

Keywords： Computation offloading Caching Incentive Blockchain Federated deep reinforcement learning

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The study of hybrid model identification, computation analysis and fault location for nonlinear dynamic

XIE Hong, HE Yi-gang, ZENG Guan-da

Frontiers of Mechanical Engineering 2006, Volume 1, Issue 2, Pages 233-237 doi: 10.1007/s11465-006-0003-5

Abstract: In order to significantly reduce the computation cost for fault location, the paper presents a new fault

Keywords： block-pulse function nonlinear multiple diagnosis combination

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Title Author Date Type Operation

Information gathering and processing with fluorescent molecules

Brian DALY,Jue LING,A. Prasanna de SILVA

Journal Article

Computation of the protein molecular mechanism using adaptive dihedral angle increments

Mikel DIEZ, Victor PETUYA, Mónica URIZAR, Erik MACHO, Oscar ALTUZARRRA

Journal Article

Current Status and Future Development of Quantum Computation

Li Xiaowei, Fu Xiang, Yan Fei, Zhong Youpeng, Lu Chaoyang, Zhang Junhua, He Yu, Yu Shi, Lu Dawei, Xin Tao, Chen Jilei, Lin Benchuan, Zhang Zhensheng, Liu Song, Chen Yuanzhen, Yu Dapeng

Journal Article

HIGH-PERFORMANCE COMPUTATION AND ARTIFICIAL INTELLIGENCE IN PESTICIDE DISCOVERY: STATUS AND OUTLOOK

Journal Article

Spectral element modeling based structure piezoelectric impedance computation and damage identification

Zhigang GUO, Zhi SUN

Journal Article

Iteration framework for solving mixed lubrication computation problems

Journal Article

Scientific computation of big data in real-world clinical research

Guozheng Li,Xuewen Zuo,Baoyan Liu

Journal Article

Multiscale computation on feedforward neural network and recurrent neural network