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water mist 13

water resources 13

drinking water 11

water 11

water quality 10

sustainable development 9

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Molecular Simulations of Water Transport Resistance in Polyamide RO Membranes: Interfacial and Interior Article

Yang Song, Mingjie Wei, Fang Xu, Yong Wang

Engineering 2020, Volume 6, Issue 5,   Pages 577-584 doi: 10.1016/j.eng.2020.03.008

Abstract:

Understanding the transport resistance of water molecules in polyamide (PA) reverse osmosis (RO) membranesof residual carboxyl groups in the PA layer leads to decreased interior resistance; therefore, the water

Keywords： Transport resistance     Reverse osmosis     Non-equilibrium molecular dynamics     Water molecule affinity     Modeling    

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Discovery of small molecule degraders for modulating cell cycle

Frontiers of Medicine   Pages 823-854 doi: 10.1007/s11684-023-1027-5

Abstract: The cell cycle is a complex process that involves DNA replication, protein expression, and cell division. Dysregulation of the cell cycle is associated with various diseases. Cyclin-dependent kinases (CDKs) and their corresponding cyclins are major proteins that regulate the cell cycle. In contrast to inhibition, a new approach called proteolysis-targeting chimeras (PROTACs) and molecular glues can eliminate both enzymatic and scaffold functions of CDKs and cyclins, achieving targeted degradation. The field of PROTACs and molecular glues has developed rapidly in recent years. In this article, we aim to summarize the latest developments of CDKs and cyclin protein degraders. The selectivity, application, validation and the current state of each CDK degrader will be overviewed. Additionally, possible methods are discussed for the development of degraders for CDK members that still lack them. Overall, this article provides a comprehensive summary of the latest advancements in CDK and cyclin protein degraders, which will be helpful for researchers working on this topic.

Keywords： PROTAC     molecular glue     degrader     cell cycle     CDK     cyclin    

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High-affinity T cell receptors redirect cytokine-activated T cells (CAT) to kill cancer cells

Synat Kang, Yanyan Li, Yifeng Bao, Yi Li

Frontiers of Medicine 2019, Volume 13, Issue 1,   Pages 69-82 doi: 10.1007/s11684-018-0677-1

Abstract: Herein, we demonstrate that NY-ESO-1157–165 HLA-A*02:01-specific high-affinity TCR (HAT)-transducedFurthermore, the high-affinity TCR-CATs delivered significantly better activation and cytotoxicity than

Keywords： cytokine-activated T cells     high-affinity T cell receptor     cancer immunotherapy     TCR-CAT    

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Near-infrared benzodiazoles as small molecule environmentally-sensitive fluorophores

Frontiers of Chemical Science and Engineering 2022, Volume 16, Issue 1,   Pages 128-135 doi: 10.1007/s11705-021-2080-8

Abstract: The development of fluorophores emitting in the near-infrared spectral window has gained increased attention given their suitable features for biological imaging. In this work, we have optimised a general and straightforward synthetic approach to prepare a small library of near-infrared-emitting C-bridged nitrobenzodiazoles using commercial precursors. C-bridged benzodiazoles have low molecular weight and neutral character as important features that are not common in most near-infrared dyes. We have investigated their fluorescence response in the presence of a wide array of 60 different biomolecules and identified compound 3i as a potential chemosensor to discriminate between Fe2+ and Fe3+ ions in aqueous media.

Keywords： fluorescence     probes     iron     screening     library    

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Recent advances of small-molecule fluorescent probes for detecting biological hydrogen sulfide

Frontiers of Chemical Science and Engineering 2022, Volume 16, Issue 1,   Pages 34-63 doi: 10.1007/s11705-021-2050-1

Abstract: It was recently revealed that H2S is also an endogenous signaling molecule that has important

Keywords： hydrogen sulfide     fluorescent probe     reducibility     nucleophilicity     copper sulfide precipitate     hydrogen polysulfides    

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A pseudocapacitive molecule-induced strategy to construct flexible high-performance asymmetric supercapacitors

Frontiers of Chemical Science and Engineering 2023, Volume 17, Issue 9,   Pages 1208-1220 doi: 10.1007/s11705-023-2304-1

Abstract: we present an “advantage-complementary strategy” using sodium lignosulfonate as a pseudocapacitive molecule

Keywords： molecular synergy     pseudocapacitive lignosulfonate     flexible electronic devices     asymmetric supercapacitor     wide voltage windows    

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Genetic biosensors for small-molecule products: Design and applications in high-throughput screening

Qingzhuo Wang,Shuang-Yan Tang,Sheng Yang

Frontiers of Chemical Science and Engineering 2017, Volume 11, Issue 1,   Pages 15-26 doi: 10.1007/s11705-017-1629-z

Abstract: Overproduction of small-molecule chemicals using engineered microbial cells has greatly reduced the productionSuch biosensors allow a high-throughput screening of the small-molecule products, and can be roughlyThis review summarizes the recent developments in the design and applications of biosensors for small-molecule

Keywords： biosensor     small molecule product     transcription factor     riboswitch     high-throughput screening    

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Calculation of collision frequency function for aerosol particles in free molecule regime in presence

Xiaowei LUO, Yannick BENICHOU, Suyuan YU

Frontiers in Energy 2013, Volume 7, Issue 4,   Pages 506-510 doi: 10.1007/s11708-013-0275-5

Abstract: The collision frequency function for aerosol particles has already been calculated for the free moleculecollision frequency in the case of particles much smaller than the mean free path of the gas (free molecule

Keywords： aerosol particles     collision frequency function     coagulation    

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Development of small-molecule viral inhibitors targeting various stages of the life cycle of emerging

Xiaohuan Wang, Peng Zou, Fan Wu, Lu Lu, Shibo Jiang

Frontiers of Medicine 2017, Volume 11, Issue 4,   Pages 449-461 doi: 10.1007/s11684-017-0589-5

Abstract: In this review, we summarize and discuss the latest progress in the development of small-molecule viralWe also discuss some general strategies for developing small-molecule viral inhibitors.

Keywords： emerging and re-emerging viruses     small-molecule inhibitor     coronavirus     Ebola virus     Zika virus     life cycle    

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Small-molecule anti-COVID-19 drugs and a focus on China’s homegrown mindeudesivir (VV116)

Frontiers of Medicine doi: 10.1007/s11684-023-1037-3

Abstract: So far, a few small-molecule antiviral drugs, including nirmatrelvir–ritonavir (Paxlovid), remdesivirregarding the pharmacological mechanism and therapeutic effects focusing on mindeudesivir and other small-molecule

Keywords： COVID-19     antiviral drugs     mindeudesivir    

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Atomistic characterization of binding modes and affinity of peptide inhibitors to amyloid-

Fufeng LIU,Wenjie DU,Yan SUN,Jie ZHENG,Xiaoyan DONG

Frontiers of Chemical Science and Engineering 2014, Volume 8, Issue 4,   Pages 433-444 doi: 10.1007/s11705-014-1454-6

Abstract: All inhibitors exhibit varied binding affinity to A , in which KLVFF has the highest binding affinity

Keywords： Alzheimer’s disease     amyloid β-protein     peptide inhibitors     protein-protein interaction     molecular dynamics simulation    

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LC/MS/MS and radioisotope method combined for recognizing the affinity between catalpol and OCT2 transporter

Zhiyu ZHANG, Changxiao LIU, Duanyun SI, Rong LU, Xiulin YI

Frontiers of Chemical Science and Engineering 2012, Volume 6, Issue 4,   Pages 436-442 doi: 10.1007/s11705-012-1222-4

Abstract: radioisotope method was used for the quantification of catalpol, a traditional Chinese medicine, to study the affinityThe results show that catalpol has a good affinity with OCT2-transfected S2 cells.

Keywords： catalpol     LC/MS/MS     OCT2    

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PtHAK5, a candidate for mediating high-affinity K

Haili YANG, Weidan ZHANG, Weiwei CHAI, Wenying WANG, Li GAO, Jing ZHANG, Yongping WANG, Suo-Min WANG

Frontiers of Agricultural Science and Engineering 2018, Volume 5, Issue 1,   Pages 108-117 doi: 10.15302/J-FASE-2018200

Abstract: results showed PtHAK5 consisted of 784 amino acids and shared over 80% homology with the identified high-affinityIn conclusion, PtHAK5 is a candidate for mediating high-affinity K uptake under low K conditions.

Keywords： K+ uptake     PtHAK5     Puccinellia tenuiflora     yeast complementation    

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Design of nanocarriers for efficient cellular uptake and endosomal release of small molecule and nucleic

Vaibhav Mundra, Ram I. Mahato

Frontiers of Chemical Science and Engineering 2014, Volume 8, Issue 4,   Pages 387-404 doi: 10.1007/s11705-014-1457-3

Abstract: There are many challenges in developing efficient and target specific delivery systems of small molecule

Keywords： nanocarrier     cellular uptake     endosomal release     nucleic acid drug    

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Calculation of Bond-length, Bond-energy and Force Constant of Hydrogen Molecule by Classical Mechanics

Chen Jing

Strategic Study of CAE 2003, Volume 5, Issue 6,   Pages 39-43

Abstract: belong in fact, to statistic regularity, and imply a macro-time scale is used, therefore in hydrogen moleculeBased on the overlap of electron cloud, the ground state hydrogen molecule structural parameters arecalculated with the classical mechanics, and the hydrogen molecule bond-length Re, bonding-energyIn this calculation, hydrogen molecule chemical bonding model is concise and has clear physical meaning

Keywords： hydrogen molecule     bond-length     bond-energy     force constant    

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Title Author Date Type Operation

Molecular Simulations of Water Transport Resistance in Polyamide RO Membranes: Interfacial and Interior

Yang Song, Mingjie Wei, Fang Xu, Yong Wang

Journal Article

Discovery of small molecule degraders for modulating cell cycle

Journal Article

High-affinity T cell receptors redirect cytokine-activated T cells (CAT) to kill cancer cells

Synat Kang, Yanyan Li, Yifeng Bao, Yi Li

Journal Article

Near-infrared benzodiazoles as small molecule environmentally-sensitive fluorophores

Journal Article

Recent advances of small-molecule fluorescent probes for detecting biological hydrogen sulfide

Journal Article

A pseudocapacitive molecule-induced strategy to construct flexible high-performance asymmetric supercapacitors

Journal Article

Genetic biosensors for small-molecule products: Design and applications in high-throughput screening

Qingzhuo Wang,Shuang-Yan Tang,Sheng Yang

Journal Article

Calculation of collision frequency function for aerosol particles in free molecule regime in presence

Xiaowei LUO, Yannick BENICHOU, Suyuan YU

Journal Article

Development of small-molecule viral inhibitors targeting various stages of the life cycle of emerging

Xiaohuan Wang, Peng Zou, Fan Wu, Lu Lu, Shibo Jiang

Journal Article

Small-molecule anti-COVID-19 drugs and a focus on China’s homegrown mindeudesivir (VV116)

Journal Article

Atomistic characterization of binding modes and affinity of peptide inhibitors to amyloid-

Fufeng LIU,Wenjie DU,Yan SUN,Jie ZHENG,Xiaoyan DONG

Journal Article

LC/MS/MS and radioisotope method combined for recognizing the affinity between catalpol and OCT2 transporter

Zhiyu ZHANG, Changxiao LIU, Duanyun SI, Rong LU, Xiulin YI

Journal Article

PtHAK5, a candidate for mediating high-affinity K

Haili YANG, Weidan ZHANG, Weiwei CHAI, Wenying WANG, Li GAO, Jing ZHANG, Yongping WANG, Suo-Min WANG

Journal Article

Design of nanocarriers for efficient cellular uptake and endosomal release of small molecule and nucleic

Vaibhav Mundra, Ram I. Mahato

Journal Article

Calculation of Bond-length, Bond-energy and Force Constant of Hydrogen Molecule by Classical Mechanics

Chen Jing

Journal Article