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Crystal-to-crystal transformation from the triclinic to the cubic crystal system by partial desolvation

Qianqian Guo, Irmgard Kalf, Ulli Englert

Frontiers of Chemical Science and Engineering 2018, Volume 12, Issue 3,   Pages 433-439 doi: 10.1007/s11705-018-1743-6

Abstract:

Diffusion reaction of the labile building block Mg(acacCN)2 (acacCN= 3-cyanoacetylacetonate) with silver salts leads to a series of solvated Mg/Ag bimetallic coordination polymers with composition [Mg(acacCN)3Ag]·solvent. Despite their common stoichiometry, the topology of these polymers depends on the solvent of crystallization. The two-dimensional coordination compound [Mg(acacCN)3Ag]·4CHCl3 in space group P1‾ is obtained as platelet-shaped crystals from a mixture of methanol and chloroform. When kept in the reaction mixture, these thin plates within one week convert to isometric tetrahedral crystals of the 3D network [Mg(acacCN)3Ag]·2CHCl3 in the cubic space group P213. The transformation reaction proceeds via dissolution and recrystallization. The co-crystallized solvent molecules play an important role for stabilizing the target structure: They subtend Cl···Cl contacts and interact via non-classical C–H···O hydrogen bonds with the coordination framework. In the new cubic coordination network, both Mg(II) and Ag(I) adopt octahedral coordination, with unprecedented face-sharing by bridging O atoms of three acetylacetonato moieties. Prolonged standing of [Mg(acacCN)3Ag]·2CHCl3 in the reaction medium leads to further degradation, under formation of [Ag(acacCN)].

Keywords： ditopic ligand     substituted acetylacetone     desolvation     diffraction    

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Surface modification by ligand growth strategy for dense copper bismuth film as photocathode to enhance

Frontiers in Energy doi: 10.1007/s11708-023-0893-5

Abstract: Herein, a straightforward sol-gel method with the ligand-induced growth strategy was employed to obtainthe nucleation and surface growth of CuBi2O4 layer induced by 2-methoxyethanol ligandThis surface modification by ligand growth strategy will shed light on the future design of advanced

Keywords： copper bismuthate     photocathode     ligand growth strategy     dense film     PEC    

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Highly selective detection of copper(II) by a “ligand-free” conjugated copolymer in nucleophilic solvents

Weixing Deng, Pengfei Sun, Quli Fan, Lei Zhang, Tsuyoshi Minami

Frontiers of Chemical Science and Engineering 2020, Volume 14, Issue 1,   Pages 105-111 doi: 10.1007/s11705-019-1791-6

Abstract: -cyclohexyl carbamate-attached fluorene- -phenylene copolymer (PFPNCC) and the use of PFPNCC as a “ligand-freestrategy for highly selective conjugated polymer-based chemosensors for various target analytes, albeit “ligand-free

Keywords： ligand-free     fluorescent chemosensor     copper     photo-induced electron transfer    

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Synthesis of vinylferrocene and the ligand-exchange reaction between its copolymer and carbon nanotubes

Ran SHI,Hai WANG,Ping TANG,Yuezhen BIN

Frontiers of Chemical Science and Engineering 2014, Volume 8, Issue 2,   Pages 171-178 doi: 10.1007/s11705-014-1428-8

Abstract: nanotubes (CNTs), poly(vinylferrocene- -styrene) (poly(Vf- -St)), was grafted onto the surface of CNTs by a ligand-exchange

Keywords： vinylferrocene     poly (Vf-co-St)     CNTs     dispersibility    

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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: The effect of the ligand chain length on protein behavior in HCIC was studied.The ligand chain length has a significant effect on both the probability and the irreversibility of theThe simulation results elucidated the effect of the ligand chain length, which is beneficial for the

Keywords： adsorption     desorption     irreversibility     protein conformational transition     molecular dynamics simulation    

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BGB-A445, a novel non-ligand-blocking agonistic anti-OX40 antibody, exhibits superior immune activation

Frontiers of Medicine doi: 10.1007/s11684-023-0996-8

Abstract: The ligation of OX40 to its sole ligand OX40L potentiates T cell expansion, differentiation, and activationHere, we discovered that BGB-A445, a non-ligand-competitive agonistic anti-OX40 antibody currently underOX40 knock-in mice, BGB-A445 demonstrated robust and dose-dependent antitumor efficacy, whereas the ligand-competitive

Keywords： BGB-A445     OX40     agonistic antibody     OX40L noncompetitive    

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Fabrication of recyclable Fe chelated aminated polypropylene fiber for efficient clean-up of phosphate wastewater

Frontiers of Chemical Science and Engineering 2023, Volume 17, Issue 7,   Pages 840-852 doi: 10.1007/s11705-022-2253-0

Abstract: Herein, a Fe3+-loaded aminated polypropylene fiber has been reported as an efficient phosphate adsorbent. The remarkable phosphate removal ability of the fiber is due to Fe3+ immobilization, and it demonstrates a maximum adsorption capacity of 33.94 mg·P·g–1. Adsorption experiments showed that the fiber is applicable over a wide pH range from 2 to 9. Furthermore, the adsorption kinetics and isotherm data were consistent with the pseudo-second-order and Langmuir adsorption models, respectively. The adsorption equilibrium of the fiber for phosphate was reached within 60 min, indicating an efficient monolayer chemisorption process. Moreover, the adsorbent maintained prominent phosphate removal in the presence of competitive ions such as NO3– and Cl–, exhibiting high selectivity. More importantly, the fiber demonstrated excellent reusability (5 times) and low adsorption limit below 0.02 mg·P·g–1. In addition, the phosphate removal efficiency of the fiber can exceed 99% under continuous flow conditions. The adsorption mechanism was studied by X-ray photoelectron spectroscopy, showing that the adsorption of phosphate on the fiber mainly depended on the chemical adsorption of the modified Fe3+. Overall, this study proves that the fiber possesses many advantages for phosphate removal, including high adsorption efficiency, lower treatment limit, good recyclability, and environmental friendliness.

Keywords： phosphate adsorption     aminated polypropylene fiber     Fe3+     ligand exchange     reusability    

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The Application of Artificial Intelligence Accelerates G Protein-Coupled Receptor Ligand Discovery Review

Wei Chen,Chi Song,Liang Leng,Sanyin Zhang,Shilin Chen

Engineering 2024, Volume 32, Issue 1,   Pages 19-29 doi: 10.1016/j.eng.2023.09.011

Abstract: However, traditional approaches to GPCR ligand discovery are time-consuming and resource-intensive.The emergence of artificial intelligence (AI) methods has revolutionized the field of GPCR ligand discoveryIn this study, we provide guidelines for effectively utilizing AI methods for GPCR ligand discovery,First, the online resources that are instrumental in GPCR ligand discovery were summarized, includingdatabases and repositories that contain valuable GPCR-related information and ligand data.

Keywords： G protein-coupled receptor     Ligand     Artificial intelligence     Multi-omics     Drug discovery    

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4-1BBL expressed by eukaryotic cells activates immune cells and suppresses the progression of murine tumor

Hui QIU, Hui ZHANG, Zuohua FENG

Frontiers of Medicine 2009, Volume 3, Issue 1,   Pages 20-25 doi: 10.1007/s11684-009-0006-9

Abstract: The interaction by co-stimulatory molecules 4-1BB and 4-1BB ligand (4-1BBL) plays an important role in

Keywords： 4-1BB ligand     tumor immunotherapy     tumor microenvironment    

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A mini review on strategies for heterogenization of rhodium-based hydroformylation catalysts

Cunyao Li, Wenlong Wang, Li Yan, Yunjie Ding

Frontiers of Chemical Science and Engineering 2018, Volume 12, Issue 1,   Pages 113-123 doi: 10.1007/s11705-017-1672-9

Abstract: such a catalyst for the hydrofromylation: immobilized catalysts on solid support and porous organic ligandlinear regioselectivity could be achieved through the copolymerization of vinyl functionalized bidentate ligand(vinyl biphephos) and monodentate ligand (3vPPh ) into the catalyst framework.

Keywords： hydroformylation     porous organic ligand (POL)-supported catalysts     heterogeneous catalysis     high stability    

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Effects of ancillary ligands in acceptorless benzyl alcohol dehydrogenation mediated by phosphine-free cobalt complexes

Frontiers of Chemical Science and Engineering 2023, Volume 17, Issue 3,   Pages 314-325 doi: 10.1007/s11705-022-2219-2

Abstract: synthesized a phosphine-free η5-C5Me5-Co complex by using the metal–ligandThe results showed that the redox-active ligand has a significant influence on the η5-C5-C5Me5 ligand playedThis work identified the roles of vital ligand components to boost catalytic performance and offeredrationales for designing metal–ligand cooperative nonprecious metal complexes.

Keywords： acceptorless alcohol dehydrogenation     η5-C5Me5-Co     metal–ligand cooperation    

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Simultaneous removal of arsenate and fluoride from water by Al-Fe (hydr)oxides

Junlian QIAO, Zimin CUI, Yuankui SUN, Qinghai HU, Xiaohong GUAN

Frontiers of Environmental Science & Engineering 2014, Volume 8, Issue 2,   Pages 169-179 doi: 10.1007/s11783-013-0533-0

Abstract: adsorption of arsenate and fluoride by Al-Fe (hydr)oxides was realized primarily through quantitative ligand

Keywords： Al-Fe (hydr)oxides     groundwater     adsorption     hydroxyl group     ligand exchange    

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Putative Mode of Action of the Monoterpenoids Linalool, Methyl Eugenol, Estragole, and Citronellal on Ligand-Gated Article

Amy S. Li, Akimasa Iijima, Junhao Huang, Qing X. Li, Yongli Chen

Engineering 2020, Volume 6, Issue 5,   Pages 541-545 doi: 10.1016/j.eng.2019.07.027

Abstract:

Essential oil has been used as sedatives, anticonvulsants, and local anesthetics in traditional medical remedies; as preservatives for food, fruit, vegetable, and grain storage; and as bio-pesticides for food production. Linalool (LL), along with a few other major components such as methyl eugenol (ME), estragole (EG), and citronellal, are the active chemicals in many essential oils such as basil oil. Basil oil and the aforementioned monoterpenoids are potent against insect pests. However, the molecular mechanism of action of these chemical constituents is not well understood. It is well-known that the γ-aminobutyric acid type A receptors (GABAARs) and nicotinic acetylcholine receptor (nAChR) are primary molecular targets of the synthetic insecticides used in the market today. Furthermore, GABAAR-targeted therapeutics have been used in clinics for many decades, including barbiturates and benzodiazepines, to name just a few. In this research, we studied the electrophysiological effects of LL, ME, EG, and citronellal on GABAAR and nAChR to further understand their versatility as therapeutic agents in traditional remedies and as insecticides. Our results revealed that LL inhibits both GABAAR and nAChR, which may explain its insecticidal activity. LL is a concentration-dependent, non-competitive inhibitor on GABAAR, as the half-maximal effective concentration values of γ-aminobutyric acid (GABA) for the rat α1β3γ2L GABAAR were not affected by LL: (36.2 ± 7.9) µmol·L−1 and (36.1 ± 23.8) µmol·L−1 in the absence and presence of 5 mmol·L−1 LL, respectively. The half-maximal inhibitory concentration (IC50) of LL on GABAAR was approximately 3.2 mmol·L−1. Considering that multiple monoterpenoids are found within the same essential oil, it is likely that LL has a synergistic effect with ME, which has been previously characterized as both a GABAAR agonist and a positive allosteric modulator, and with other monoterpenoids, which offers a possible explanation for the sedative and anticonvulsant effects and the insecticidal activities of LL.

Keywords： Essential oil     γ-aminobutyric acid type A receptor     Linalool     Monoterpenoid     Nicotinic acetylcholine receptor    

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Title Author Date Type Operation

Crystal-to-crystal transformation from the triclinic to the cubic crystal system by partial desolvation

Qianqian Guo, Irmgard Kalf, Ulli Englert

Journal Article

Surface modification by ligand growth strategy for dense copper bismuth film as photocathode to enhance

Journal Article

Highly selective detection of copper(II) by a “ligand-free” conjugated copolymer in nucleophilic solvents

Weixing Deng, Pengfei Sun, Quli Fan, Lei Zhang, Tsuyoshi Minami

Journal Article

Synthesis of vinylferrocene and the ligand-exchange reaction between its copolymer and carbon nanotubes

Ran SHI,Hai WANG,Ping TANG,Yuezhen BIN

Journal Article

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

Lin ZHANG, Yan SUN

Journal Article

BGB-A445, a novel non-ligand-blocking agonistic anti-OX40 antibody, exhibits superior immune activation

Journal Article

Fabrication of recyclable Fe chelated aminated polypropylene fiber for efficient clean-up of phosphate wastewater

Journal Article

The Application of Artificial Intelligence Accelerates G Protein-Coupled Receptor Ligand Discovery

Wei Chen,Chi Song,Liang Leng,Sanyin Zhang,Shilin Chen

Journal Article

4-1BBL expressed by eukaryotic cells activates immune cells and suppresses the progression of murine tumor

Hui QIU, Hui ZHANG, Zuohua FENG

Journal Article

A mini review on strategies for heterogenization of rhodium-based hydroformylation catalysts

Cunyao Li, Wenlong Wang, Li Yan, Yunjie Ding

Journal Article

Effects of ancillary ligands in acceptorless benzyl alcohol dehydrogenation mediated by phosphine-free cobalt complexes

Journal Article

Simultaneous removal of arsenate and fluoride from water by Al-Fe (hydr)oxides

Junlian QIAO, Zimin CUI, Yuankui SUN, Qinghai HU, Xiaohong GUAN

Journal Article

Putative Mode of Action of the Monoterpenoids Linalool, Methyl Eugenol, Estragole, and Citronellal on Ligand-Gated

Amy S. Li, Akimasa Iijima, Junhao Huang, Qing X. Li, Yongli Chen

Journal Article