Resource Type

Journal Article 189

Conference Videos 3

Year

2024 1

2023 15

2022 20

2021 17

2020 17

2019 10

2018 15

2017 14

2016 8

2015 13

2014 6

2013 9

2012 4

2011 6

2010 11

2009 4

2008 6

2007 8

2006 1

2002 1

open ︾

Keywords

molecular dynamics 9

molecular dynamics simulation 6

targeted therapy 4

China 3

Molecular dynamics simulation 3

molecular classification 3

molecular docking 3

molecular epidemiology 3

molecular markers 3

Alzheimer’s disease 2

Graphene 2

Lattice 2

Molecular dynamics 2

Synthesis 2

cancer 2

drug resistance 2

molecular 2

molecular dynamic 2

pyrolysis 2

open ︾

Search scope:

排序： Display mode:

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, molecularsignature descriptor was used as a common platform to formulate the design problem.Due 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    

HTML PDF Collect

An invariant descriptor for conjugate forced convection-conduction cooling of 3D protruding heaters in

Thiago ANTONINI ALVES,Paulo H. D. SANTOS,Murilo A. BARBUR

Frontiers of Mechanical Engineering 2015, Volume 10, Issue 3,   Pages 263-276 doi: 10.1007/s11465-015-0345-y

Abstract:

In this research, the temperatures of three-dimensional (3D) protruding heaters mounted on a conductive substrate in a horizontal rectangular channel with laminar airflow are related to the independent power dissipation in each heater by using a matrix G+ with invariant coefficients, which are dimensionless. These coefficients are defined in this study as the conjugate influence coefficients (g+) caused by the forced convection-conduction nature of the heaters’ cooling process. The temperature increase of each heater in the channel is quantified to clearly identify the contributions attributed to the self-heating and power dissipation in the other heaters (both upstream and downstream). The conjugate coefficients are invariant with the heat generation rate in the array of heaters when assuming a defined geometry, invariable fluid and flow rate, and constant substrate and heater conductivities. The results are numerically obtained by considering three 3D protruding heaters on a two-dimensional (2D) array by ANSYS/FluentTM 15.0 software. The conservation equations are solved by a coupled procedure within a single calculation domain comprising of solid and fluid regions and by considering a steady state laminar airflow with constant properties. Some examples are shown, indicating the effects of substrate thermal conductivity and Reynolds number on conjugate influence coefficients.

Keywords： conjugate forced convection-conduction cooling     conjugate influence coefficients     discrete heating     invariant descriptor    

HTML PDF Collect

Efficient identity-based signature over NTRU lattice

Jia XIE,Yu-pu HU,Jun-tao GAO,Wen GAO

Frontiers of Information Technology & Electronic Engineering 2016, Volume 17, Issue 2,   Pages 135-142 doi: 10.1631/FITEE.1500197

Abstract:

Identity-based signature has become an important technique for lightweight authentication as soonThereafter, identity-based signature schemes based on the integer factorization problem and discreteIn this study, an efficient identity-based signature scheme is presented over the number theory researchThe new scheme is more efficient than other lattice- and identity-based signature schemes.

Keywords： Identity     Signature     Lattice     Number theory research unit (NTRU)    

HTML PDF Collect

Certificateless broadcast multi-signature for network coding Research Article

Huifang YU, Zhewei QI

Frontiers of Information Technology & Electronic Engineering 2022, Volume 23, Issue 9,   Pages 1369-1377 doi: 10.1631/FITEE.2200271

Abstract: To solve these problems, the certificateless broadcast multi-signature for (NC-CLBMS) method is devised, where each source node user generates a multi-signature about the message vector, and the intermediateNC-CLBMS is a multi-source multi-signature method with anti-pollution and anti-forgery advantages; moreover, it has a fixed signature length and its computation efficiency is very high.

Keywords： Network coding     Certificateless multi-signature     Linear combination     Homomorphic hash function    

HTML PDF Collect

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

HTML PDF Collect

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    

HTML PDF Collect

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

HTML PDF Collect

Advances in Molecular Electronics: A Brief Review Review

Paven Thomas Mathew, Fengzhou Fang

Engineering 2018, Volume 4, Issue 6,   Pages 760-771 doi: 10.1016/j.eng.2018.11.001

Abstract:

The field of molecular electronics, also known as moletronics, deals with the assembly of molecularNovel research has been performed in developing electrical-equivalent molecular components.Since there is a need to reduce the size of the silicon chip, attaining such technology at the molecularAlthough the experimental verification and modeling of molecular devices present a daunting task, vitalThis article combines an overview of various molecular components, such as molecular transistors, diodes

Keywords： Moletronics     Molecular transistor     Molecular diode     Molecular capacitor     Molecular wire     Graphene    

HTML PDF Collect

Molecular size characterization of heavy oil fractions in vacuum and solution by molecular dynamic simulation

Wenpo REN, Honggang CHEN, Chaohe YANG, Honghong SHAN,

Frontiers of Chemical Science and Engineering 2010, Volume 4, Issue 3,   Pages 250-256 doi: 10.1007/s11705-009-0281-7

Abstract: According to the elemental analysis, molecular weight and H-NMR data, average molecular structures ofconformations of polycyclic aromatic and heavy resin in vacuum and toluene solution were obtained by moleculardynamic simulation, and the molecular size was gotten via the radius of gyration analysis.With molecular weight increasing, the molecular size in vacuum and toluene solution also increased.Thus, the molecular size in toluene solution was larger than that in vacuum.

Keywords： dynamic simulation     molecular dynamic     behavior     molecule     Adsorption Chromatography    

HTML PDF Collect

Machine learning modeling identifies hypertrophic cardiomyopathy subtypes with genetic signature

Frontiers of Medicine 2023, Volume 17, Issue 4,   Pages 768-780 doi: 10.1007/s11684-023-0982-1

Abstract: Previous studies have revealed that patients with hypertrophic cardiomyopathy (HCM) exhibit differences in symptom severity and prognosis, indicating potential HCM subtypes among these patients. Here, 793 patients with HCM were recruited at an average follow-up of 32.78 ± 27.58 months to identify potential HCM subtypes by performing consensus clustering on the basis of their echocardiography features. Furthermore, we proposed a systematic method for illustrating the relationship between the phenotype and genotype of each HCM subtype by using machine learning modeling and interactome network detection techniques based on whole-exome sequencing data. Another independent cohort that consisted of 414 patients with HCM was recruited to replicate the findings. Consequently, two subtypes characterized by different clinical outcomes were identified in HCM. Patients with subtype 2 presented asymmetric septal hypertrophy associated with a stable course, while those with subtype 1 displayed left ventricular systolic dysfunction and aggressive progression. Machine learning modeling based on personal whole-exome data identified 46 genes with mutation burden that could accurately predict subtype propensities. Furthermore, the patients in another cohort predicted as subtype 1 by the 46-gene model presented increased left ventricular end-diastolic diameter and reduced left ventricular ejection fraction. By employing echocardiography and genetic screening for the 46 genes, HCM can be classified into two subtypes with distinct clinical outcomes.

Keywords： machine learning methods     hypertrophic cardiomyopathy     genetic risk    

HTML PDF Collect

Novel efficient identity-based signature on lattices

Jiang-shan Chen, Yu-pu Hu, Hong-mei Liang, Wen Gao,JSChen@mnnu.edu.cn

Frontiers of Information Technology & Electronic Engineering 2021, Volume 22, Issue 2,   Pages 141-286 doi: 10.1631/FITEE.1900318

Abstract: With the rapid development of electronic information technology, digital signature has become an indispensableTo overcome this problem, we construct an IBS scheme on s by employing Lyubashevsky’s signature scheme

Keywords： Identity-based signature     Lattice     Strong unforgeability     Random oracle model    

HTML PDF Collect

Effect of / molecular structures on pyrolysis performance and heat sink of decalin isomers

Frontiers of Chemical Science and Engineering 2023, Volume 18, Issue 1, doi: 10.1007/s11705-023-2375-z

Abstract: Decalin is considered as an important compound of high-energy-density endothermic fuel, which is an ideal on-board coolant for thermal management of advanced aircraft. However, decalin contains two isomers with a tunable composition, and their effects on the pyrolysis performance, such as the heat sink and coking tendency have not been demonstrated. Herein, we investigated the pyrolysis of decalin isomers, i.e., cis-decalin, trans-decalin and their mixtures (denoted as mix-decalin), in order to clarify the effects of the cis-/trans-structures on the pyrolysis performance of decalin fuels. The pyrolysis results confirmed that conversion of the tested fuels (600–725 °C, 4 MPa) decreased in the order cis-decalin > mix-decalin > trans-decalin. Detailed analyses of the pyrolysis products were used to compare the product distributions from cis-decalin, mix-decalin and trans-decalin, and the yields of some typical components (such as cyclohexene, 1-methylcyclohexene, benzene and toluene) showed significant differences, which could be ascribed to deeper cracking of cis-decalin. Additionally, the heat sinks and coking tendencies of the decalins decreased in the order cis-decalin > mix-decalin > trans-decalin. This work demonstrates the relationship between the cis/trans structures and the pyrolysis performance of decalin, which provides a better understanding of the structure-activity relationships of endothermic hydrocarbon fuels.

Keywords： endothermic fuel     decalin     pyrolysis     heat sink     molecular structure    

HTML PDF Collect

Carcinogens that induce the A:T>T:A nucleotide substitutions in the genome

Guangbiao Zhou, Xinchun Zhao

Frontiers of Medicine 2018, Volume 12, Issue 2,   Pages 236-238 doi: 10.1007/s11684-017-0611-y

Abstract:

Recently, Ng . reported that the A:T>T:A substitutions, proposed to be a signature of aristolochicchloride and its reactive metabolites chloroethylene oxide, melphalan and chlorambucil, also cause this signature

Keywords： genomic signature     carcinogen     aristolochic acid     tobacco smoke     vinyl chloride     hepatocellular carcinoma    

HTML PDF Collect

Enhanced separation of tetrafluoropropanol from water via carbon nanotubes membranes: insights from molecular

Frontiers of Environmental Science & Engineering 2023, Volume 17, Issue 11, doi: 10.1007/s11783-023-1740-y

Abstract:

● MD simulations unveil the transport mechanism for TFP-water mixture through CNTs.

Keywords： Fluorinated alcohol     Carbon nanotube     Molecular simulation     Fluorine modified    

HTML PDF Collect

Effect of ligand chain length on hydrophobic charge induction chromatography revealed by molecular dynamics

Lin ZHANG, Yan SUN

Frontiers of Chemical Science and Engineering 2013, Volume 7, Issue 4,   Pages 456-463 doi: 10.1007/s11705-013-1357-y

Abstract: adsorption, desorption, and conformational transition of the proteins with CL2 and CL4 were examined using molecular

Keywords： adsorption     desorption     irreversibility     protein conformational transition     molecular dynamics simulation    

HTML PDF Collect

Title Author Date Type Operation

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

Journal Article

An invariant descriptor for conjugate forced convection-conduction cooling of 3D protruding heaters in

Thiago ANTONINI ALVES,Paulo H. D. SANTOS,Murilo A. BARBUR

Journal Article

Efficient identity-based signature over NTRU lattice

Jia XIE,Yu-pu HU,Jun-tao GAO,Wen GAO

Journal Article

Certificateless broadcast multi-signature for network coding

Huifang YU, Zhewei QI

Journal Article

Special issue on “Molecular Sensors and Molecular Logic Gates”

Luling Wu , Tony D. James

Journal Article

Progress on molecular biomarkers and classification of malignant gliomas

Chuanbao Zhang, Zhaoshi Bao, Wei Zhang, Tao Jiang

Journal Article

Molecular classification and molecular targeted therapy of cancer

Miao Xu, Jianyong Shao, Yixin Zeng

Journal Article

Advances in Molecular Electronics: A Brief Review

Paven Thomas Mathew, Fengzhou Fang

Journal Article

Molecular size characterization of heavy oil fractions in vacuum and solution by molecular dynamic simulation

Wenpo REN, Honggang CHEN, Chaohe YANG, Honghong SHAN,

Journal Article

Machine learning modeling identifies hypertrophic cardiomyopathy subtypes with genetic signature

Journal Article

Novel efficient identity-based signature on lattices

Jiang-shan Chen, Yu-pu Hu, Hong-mei Liang, Wen Gao,JSChen@mnnu.edu.cn

Journal Article

Effect of / molecular structures on pyrolysis performance and heat sink of decalin isomers

Journal Article

Carcinogens that induce the A:T>T:A nucleotide substitutions in the genome

Guangbiao Zhou, Xinchun Zhao

Journal Article

Enhanced separation of tetrafluoropropanol from water via carbon nanotubes membranes: insights from molecular

Journal Article

Effect of ligand chain length on hydrophobic charge induction chromatography revealed by molecular dynamics

Lin ZHANG, Yan SUN

Journal Article