Resource Type

Journal Article 962

Year

2024 2

2023 59

2022 73

2021 65

2020 45

2019 60

2018 54

2017 76

2016 43

2015 53

2014 42

2013 39

2012 29

2011 24

2010 33

2009 26

2008 33

2007 27

2006 16

2005 20

open ︾

Keywords

engineering management 39

engineering 37

innovation 12

engineering science and technology 10

molecular dynamics 9

system engineering 9

systems engineering 9

tissue engineering 9

China 8

2035 7

Machine learning 7

molecular dynamics simulation 6

technology foresight 6

development strategy 5

management 5

bridge engineering 4

engineering philosophy 4

informatization 4

review 4

open ︾

Search scope:

排序： Display mode:

Qian Xuesen and Materials Design

Yu Qiao

Strategic Study of CAE 2002, Volume 4, Issue 5,   Pages 1-6

Abstract:

A brief introduction of the ideas, theories, hierarchical structure, methods, and systems of materials design initiated and promoted actively by famous scientist Qian Xuesen in recent 20 years is presented in this paper. After a sustained effort contributed by the “863” Program expert team, materials design has been scheduled into the nation´s general new material development plan and encouraging progress has been made.

Keywords： Qian Xuesen     materials design     atom and molecular engineering     materials science and materials technology    

HTML PDF Collect

Real atom economy and its application for evaluation the green degree of a process

Weihan WANG, Jing Lü, Li ZHANG, Zhenhua LI

Frontiers of Chemical Science and Engineering 2011, Volume 5, Issue 3,   Pages 349-354 doi: 10.1007/s11705-010-1030-7

Abstract: Among the 12 principles of green chemistry, only atom economy and E factor can be expressed quantitativelyAtom economy was thought better than the traditional yield for evaluating the atom efficiency of rawIn this paper, we proposed the concept of real atom economy (RAE) as a metric.

Keywords： green chemistry     real atom economy     E factor     atom economy     yield    

HTML PDF Collect

Multiscale process systems engineering—analysis and design of chemical and energy systems from molecular

Frontiers of Chemical Science and Engineering 2022, Volume 16, Issue 2,   Pages 137-140 doi: 10.1007/s11705-021-2135-x

HTML PDF Collect

Promising approach for preparing metallic single-atom catalysts: electrochemical deposition

Frontiers in Energy 2022, Volume 16, Issue 4,   Pages 537-541 doi: 10.1007/s11708-022-0837-5

HTML PDF Collect

Molecular engineering of dendrimer nanovectors for siRNA delivery and gene silencing

Yu Cao, Xiaoxuan Liu, Ling Peng

Frontiers of Chemical Science and Engineering 2017, Volume 11, Issue 4,   Pages 663-675 doi: 10.1007/s11705-017-1623-5

Abstract: Dendrimers are appealing vectors for siRNA delivery by virtue of their well-defined molecular architecture

Keywords： gene therapy     RNAi therapeutics     dendrimer     nanovectors     gene silencing    

HTML PDF Collect

Investigation of the preparation methodologies of Pd-Cu single atom alloy catalysts for selective hydrogenation

Xinxiang Cao,Arash Mirjalili,James Wheeler,Wentao Xie,Ben W.-L. Jang

Frontiers of Chemical Science and Engineering 2015, Volume 9, Issue 4,   Pages 442-449 doi: 10.1007/s11705-015-1547-x

Abstract: transmission electron microscopy (HAADF-STEM) and H chemisorption results confirmed that Pd-Cu single-atomthat when the conversion of acetylene was above 99%, the selectivity of ethylene of these three single atomFurthermore, the single atom alloy catalyst prepared by sequential incipient wetness impregnation was

Keywords： H2 pulse chemisorption     palladium-copper bimetallic catalyst     single atom alloy     acetylene hydrogenation    

HTML PDF Collect

Integration of molecular dynamic simulation and free volume theory for modeling membrane VOC/gas separation

Bo Chen, Yan Dai, Xuehua Ruan, Yuan Xi, Gaohong He

Frontiers of Chemical Science and Engineering 2018, Volume 12, Issue 2,   Pages 296-305 doi: 10.1007/s11705-018-1701-3

Abstract: Although molecular dynamic (MD) simulation can mimic those complex effects, it cannot precisely predictThe proposed method provides an efficient tool for process engineering to simulate the membrane recovery

Keywords： membrane vapor separation     membrane process modeling     process engineering     free volume theory     volatile organic    

HTML PDF Collect

Precision Burn Trauma Medicine: Application for Molecular Engineering Science

Kristen Jakubowski, Michael Poellmann, Raphael C. Lee

Engineering 2015, Volume 1, Issue 3,   Pages 280-281 doi: 10.15302/J-ENG-2015073

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

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    

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 molecularIt is an interdisciplinary field that includes physics, chemistry, materials science, and engineeringNovel research has been performed in developing electrical-equivalent molecular components.Although 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

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

Title Author Date Type Operation

Qian Xuesen and Materials Design

Yu Qiao

Journal Article

Real atom economy and its application for evaluation the green degree of a process

Weihan WANG, Jing Lü, Li ZHANG, Zhenhua LI

Journal Article

Multiscale process systems engineering—analysis and design of chemical and energy systems from molecular

Journal Article

Promising approach for preparing metallic single-atom catalysts: electrochemical deposition

Journal Article

Molecular engineering of dendrimer nanovectors for siRNA delivery and gene silencing

Yu Cao, Xiaoxuan Liu, Ling Peng

Journal Article

Investigation of the preparation methodologies of Pd-Cu single atom alloy catalysts for selective hydrogenation

Xinxiang Cao,Arash Mirjalili,James Wheeler,Wentao Xie,Ben W.-L. Jang

Journal Article

Integration of molecular dynamic simulation and free volume theory for modeling membrane VOC/gas separation

Bo Chen, Yan Dai, Xuehua Ruan, Yuan Xi, Gaohong He

Journal Article

Precision Burn Trauma Medicine: Application for Molecular Engineering Science

Kristen Jakubowski, Michael Poellmann, Raphael C. Lee

Journal Article

Special issue on “Molecular Sensors and Molecular Logic Gates”

Luling Wu , Tony D. James

Journal Article

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

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

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

Journal Article