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Qian, Z., Li, X., Yuan, T., Huang, X., Wang, Q., Agren, H. & Tian, H. (2018). Divalent Pseudorotaxane with Polarized Plug-Socket and Padlock Functions. Organic Letters, 20(6), 1487-1490
Open this publication in new window or tab >>Divalent Pseudorotaxane with Polarized Plug-Socket and Padlock Functions
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2018 (English)In: Organic Letters, ISSN 1523-7060, E-ISSN 1523-7052, Vol. 20, no 6, p. 1487-1490Article in journal (Refereed) Published
Abstract [en]

A dual-pore structured host composed of one 24-crown-8 and one 34-crown-10, and a "U"-shaped guest consisting of two different recognition units, one dibenzylammonium and one viologen, were synthesized and bound 1:1 into a divalent pseudorotaxane P1. P1 can mimic the inserting and pulling out functions of a polarized plug-socket system under solvent driven stimulus and can also realize the locking and unlocking actions of a padlock under pH stimulus.

Place, publisher, year, edition, pages
AMER CHEMICAL SOC, 2018
National Category
Chemical Sciences
Identifiers
urn:nbn:se:kth:diva-225718 (URN)10.1021/acs.orglett.7b03867 (DOI)000428003600003 ()29488384 (PubMedID)2-s2.0-85044078009 (Scopus ID)
Note

QC 20180411

Available from: 2018-04-11 Created: 2018-04-11 Last updated: 2018-04-11Bibliographically approved
Wang, J., Li, X., Zhang, J. & Tian, H. (2018). Modulating a D-Π-A type diarylethene for on-demand Cu2+ check via photo-switchable detection range and sensitivity. Sensors and actuators. B, Chemical, 257, 77-86
Open this publication in new window or tab >>Modulating a D-Π-A type diarylethene for on-demand Cu2+ check via photo-switchable detection range and sensitivity
2018 (English)In: Sensors and actuators. B, Chemical, ISSN 0925-4005, E-ISSN 1873-3077, Vol. 257, p. 77-86Article in journal (Refereed) Published
Abstract [en]

Detection range and sensitivity are two important parameters in a sensing system. Unfortunately, in common sensory systems, wide detection range always suffers from low sensitivity and vice versa. Thus, it becomes more and more desirable to design sensors with both wide detection range and high sensitivity. Here, we report a sensory system based on a photo-switchable D-π-A type diarylethene (SDE), which presents both wide detection range and high sensitivity under alternate light modulation. The D-π-A structure endows the sensor with high energy level of HOMO, which enabled the oxidation of both photoisomer SDEo/SDEc by Cu2+. While the discrepancy in energy levels of oxidation potentials in SDE photoisomers leads to their different reactivity, or in another word, sensitivity towards Cu2+. The inherent oxidative cycloreversion of SDEc to SDEo, on the other hand, provides a possibility that two photoisomers would detect Cu2+ in different working concentrations. The open form was employed for the detection of Cu2+ in a wider concentration range (0–13.0 equivalent) with relatively lower sensitivity (6.4 × 10−7 M). While the closed form was able to probe Cu2+ in lower concentration (0–3.0 equivalent) with higher sensitivity (6.6 × 10−9 M). Based on this photo-switchable sensing activity, a molecular multimeter of variable detection range for Cu2+ was then constructed.

Place, publisher, year, edition, pages
Elsevier, 2018
Keywords
Copper sensors, D-π-A diarylethene, Molecular multimeter, Photo-switchable detection range and sensitivity, Radical cations
National Category
Analytical Chemistry
Identifiers
urn:nbn:se:kth:diva-218908 (URN)10.1016/j.snb.2017.10.099 (DOI)000418868700010 ()2-s2.0-85032899414 (Scopus ID)
Note

QC 20171201

Available from: 2017-12-01 Created: 2017-12-01 Last updated: 2018-01-29Bibliographically approved
Zhang, Q., Rao, S.-J., Xie, T., Li, X., Xu, T.-Y., Li, D.-W., . . . Tian, H. (2018). Muscle-like Artificial Molecular Actuators for Nanoparticles. CHEM, 4(11), 2670-2684
Open this publication in new window or tab >>Muscle-like Artificial Molecular Actuators for Nanoparticles
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2018 (English)In: CHEM, ISSN 2451-9294, Vol. 4, no 11, p. 2670-2684Article in journal (Refereed) Published
Abstract [en]

Muscle tissue performs crucial contraction/extension motions that generate mechanical force and work by consuming chemical energy. Inspired by this naturally created biomolecular machine, artificial molecular muscles are designed and synthesized to undertake linear actuation functions. However, most of these muscle-like actuators are performed at large ensembles, while to realize the nanoscale actuation at the single-to few-molecule level remains challenging. Herein, we developed an artificial muscle-like molecular actuator that can reversibly control the proximity of the attached nano-objects, gold nanoparticles, within the single-molecule length level by its stimuli-responsive muscle-like linear contraction/extension motion. The molecular actuation motion is accompanied by an optical signal output resulting from the plasmonic resonance properties of gold nanoparticles. Meanwhile, the thermal noise of the muscle-like molecular actuator can be overcome by integrating the optical signal over a sufficiently long period.

Place, publisher, year, edition, pages
Cell Press, 2018
National Category
Physiology
Identifiers
urn:nbn:se:kth:diva-239474 (URN)10.1016/j.chempr.2018.08.030 (DOI)000449667900016 ()
Note

QC 20181126

Available from: 2018-11-26 Created: 2018-11-26 Last updated: 2018-11-26Bibliographically approved
Liang, L. & Li, X. (2018). Theoretical insights into aggregation-induced helicity modulation of a perylene bisimide derivative. Journal of Molecular Modeling, 24(3), Article ID 51.
Open this publication in new window or tab >>Theoretical insights into aggregation-induced helicity modulation of a perylene bisimide derivative
2018 (English)In: Journal of Molecular Modeling, ISSN 1610-2940, E-ISSN 0948-5023, Vol. 24, no 3, article id 51Article in journal (Refereed) Published
Abstract [en]

Formation of helical chiroptical self-assemblies via noncovalent interaction is a widely observed phenomenon in nature, the mechanism of which remains insufficiently understood. Employing an amphiphilic perylene-sugar dyad molecule (PBI-HAG) as an example, we report that the modulatable supramolecular helicity may emerge from an aggregating process that is dominated by competition between two types of noncovalent interaction: hydrogen bonding and pi-pi stacking. The interplay between these two driving forces, which is greatly affected by the solvent environment, determines the morphology the supramolecular assembly of PBI-HAGs. In particular, a non-layered supramolecular structure was formed in octane owing to stabilization effects of intermolecular hydrogen bonds, whereas a layered supramolecular structure was formed in water because of energetically favorable pi-pi stacking of aromatic rings. The formation of distinct supramolecular architectures in different solvents was reinforced by simulated circular dichroism spectra, which show opposite signals consistent with experimental observations. The results of this study could help us understand aggregation-induced supramolecular chirality of noncovalent self-assemblies.

Place, publisher, year, edition, pages
Springer, 2018
Keywords
Supramolecular helicity, Aggregation-induced chirality, Self-assembly, Circular dichroism, Exciton model
National Category
Biochemistry and Molecular Biology
Identifiers
urn:nbn:se:kth:diva-224685 (URN)10.1007/s00894-018-3591-1 (DOI)000426730900007 ()29435668 (PubMedID)2-s2.0-85042265877 (Scopus ID)
Note

QC 20180326

Available from: 2018-03-26 Created: 2018-03-26 Last updated: 2018-03-26Bibliographically approved
Chen, S., Li, W., Li, X. & Zhu, W.-H. -. (2017). Aggregation-controlled photochromism based on a dithienylethene derivative with aggregation-induced emission. Journal of Materials Chemistry C, 5(10), 2717-2722
Open this publication in new window or tab >>Aggregation-controlled photochromism based on a dithienylethene derivative with aggregation-induced emission
2017 (English)In: Journal of Materials Chemistry C, ISSN 2050-7526, E-ISSN 2050-7534, Vol. 5, no 10, p. 2717-2722Article in journal (Refereed) Published
Abstract [en]

We report novel aggregation-induced emission (AIE) characteristics involving aggregation-controlled photochromism properties of a dithienylethene derivative, BTE-EQ, where two quinolinemalononitrile (EQ) units are covalently attached to a dithienylethene core. The typical AIE effect of BTE-EQ has been found to originate from the AIE character of the EQ units with respect to the reference compound BTE, which does not contain an EQ unit. The photochromism study, together with density functional theory calculations, reveals that the photochromic activity of BTE-EQ can be reversibly switched off and on by controlling the aggregation state during the AIE process, which provides a novel route to controlling the photochromism of diarylethenes.

Place, publisher, year, edition, pages
Royal Society of Chemistry, 2017
Keywords
Density functional theory, Photochromism, Aggregation state, Aggregation-induced emissions, Diarylethenes, Dithienylethene, Novel route, Reference compounds, Agglomeration
National Category
Chemical Engineering
Identifiers
urn:nbn:se:kth:diva-207440 (URN)10.1039/C7TC00023E (DOI)000396293400028 ()2-s2.0-85014897544 (Scopus ID)
Note

Funding details: PCSIRT_IRT_16R49, MOE, Ministry of Education; Funding details: NSFC, National Natural Science Foundation of China; Funding text: This work was supported by the National key Research and Development Program (No. 2016YFA0200300), NSFC for Creative Research Groups (21421004) and Distinguished Young Scholars (21325625), NSFC/China, Ministry of Education of China (PCSIRT_IRT_16R49), Shanghai Sci. & Tech. and Edu. Committee (14YF1409200 and 15XD1501400), the Oriental Scholarship, Programme of Introducing Talents of Discipline to Universities (B16017), and the Fundamental Research Funds for the Central Universities (WJ1416005). We also thank the Swedish National Infrastructure for Computing (SNIC) for providing computational resources for project SNIC 2015-16/10.

QC 20170523

Available from: 2017-05-23 Created: 2017-05-23 Last updated: 2017-05-23Bibliographically approved
Bu, L., Chen, J., Wei, X., Li, X., Ågren, H. & Xie, Y. (2017). An AIE and ICT based NIR florescent probe for cysteine and homocysteine. Dyes and pigments, 136, 724-731
Open this publication in new window or tab >>An AIE and ICT based NIR florescent probe for cysteine and homocysteine
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2017 (English)In: Dyes and pigments, ISSN 0143-7208, E-ISSN 1873-3743, Vol. 136, p. 724-731Article in journal (Refereed) Published
Abstract [en]

A combination of aggregation-induced emission and intramolecular charge transfer was achieved by using a triphenylamine analogue and a dicyanovinyl moiety as the electron donating and accepting units, respectively. Hence, we designed and synthesized a probe with a D-π-A framework as a near-infrared fluorescence turn-on probe for biothiols (cysteine and homocysteine). Owing to the remarkable intramolecular charge transfer effect as well as intramolecular rotations associated with the donor moiety, the probe exhibits extremely weak fluorescence, which becomes a good starting point for developing fluorescence “turn-on” probes. Upon reaction with cysteine or homocysteine utilizing the dicyanovinyl moiety, the intramolecular charge transfer character was weakened, and the reacting products were observed to aggregate in aqueous solutions, resulting in the aggregation-induced emission effect with red fluorescence at 651 and 656 nm, respectively. Hence, the probe could be used as a fluorescence “turn-on” sensor for cysteine and homocysteine, with the sensing time of less than 4 min and the detection limits of 8.4 μM and 5.7 μM towards cysteine and homocysteine, respectively. The probe could distinguish cysteine and homocysteine from glutathione. The sensing mechanism was systematically investigated by employing high resolution mass spectrometry, 1H NMR and density functional theory calculations as well as checking the solvent viscosity dependent fluorescence, and thus the nucleophilic addition products, the intramolecular charge transfer character, and the aggregation-induced emission behaviour were clearly elucidated. It is noteworthy that the low cytotoxicity, the intrinsic aggregation-induced emission nature and near-infrared emissions enable the application of the probe in living cell imaging. © 2016 Elsevier Ltd

Keywords
AIE, Biothiols, Cell imaging, Fluorescent probes, ICT, Addition reactions, Amino acids, Charge transfer, Density functional theory, Fluorescence, Infrared devices, Lanthanum compounds, Mass spectrometry, Solutions, Aggregation-induced emissions, High resolution mass spectrometry, Intra-molecular charge transfer, Near-infrared emissions, Near-infrared fluorescence, Probes
National Category
Chemical Sciences
Identifiers
urn:nbn:se:kth:diva-195127 (URN)10.1016/j.dyepig.2016.09.032 (DOI)000387837200087 ()2-s2.0-84988524950 (Scopus ID)
Note

Funding Details: 91227201, NSFC, National Natural Science Foundation of China. QC 20161107

Available from: 2016-11-07 Created: 2016-11-02 Last updated: 2017-11-29Bibliographically approved
Shi, L., Li, X., Zhou, M., Muhammad, F., Ding, Y. & Wei, H. (2017). An arylboronate locked fluorescent probe for hypochlorite. The Analyst, 142(12), 2104-2108
Open this publication in new window or tab >>An arylboronate locked fluorescent probe for hypochlorite
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2017 (English)In: The Analyst, ISSN 0003-2654, E-ISSN 1364-5528, Vol. 142, no 12, p. 2104-2108Article in journal (Refereed) Published
Abstract [en]

An unusual arylboronate based fluorescent probe R1 was synthesized for the selective and sensitive detection of ClO-. A detailed mechanistic study revealed that R1 reacted with ClO- through an oxidation to chlorination mechanism, and the arylboronate moiety in R1 acted as a "lock" to eliminate the effects of pH fluctuations. With this design strategy, R1 was successfully used to detect as low as 6.4 nM of ClO- over other ROS species in a wide pH range from 4.5 to 9.0.

Place, publisher, year, edition, pages
ROYAL SOC CHEMISTRY, 2017
National Category
Chemical Sciences
Identifiers
urn:nbn:se:kth:diva-210345 (URN)10.1039/c7an00467b (DOI)000403318300005 ()2-s2.0-85021722937 (Scopus ID)
Note

QC 20170704

Available from: 2017-07-04 Created: 2017-07-04 Last updated: 2018-09-19Bibliographically approved
Song, H., Li, X., Ågren, H. & Xie, Y. (2017). Branched and linear alkoxy chains-wrapped push-pull porphyrins for developing efficient dye-sensitized solar cells. Dyes and pigments, 137, 421-429
Open this publication in new window or tab >>Branched and linear alkoxy chains-wrapped push-pull porphyrins for developing efficient dye-sensitized solar cells
2017 (English)In: Dyes and pigments, ISSN 0143-7208, E-ISSN 1873-3743, Vol. 137, p. 421-429Article in journal (Refereed) Published
Abstract [en]

Four alkoxy-wrapped push-pull porphyrin dyes containing the phenothiazine derived donor and the ethynylbenzoic acid acceptor have been designed, synthesized and used as sensitizers for fabricating efficient dye-sensitized solar cells (DSSCs). Branched or linear alkoxy chains were introduced to the ortho-positions of the meso-phenyl moieties to suppress the dye aggregation and charge recombination. The effect of alkoxy chains were investigated in the absence and presence of an additional electron withdrawing benzothiadiazole unit. In the former cases, almost identical photovoltaic efficiencies of similar to 8.3% were achieved for both the branched and the linear alkoxy chains, while in the latter cases, the planar benzothiadiazole unit induces serious dye aggregation and charge recombination, resulting in lower efficiencies of 6.46% and 7.50% for the linear and branched chains, respectively, even though broader absorption was achieved. The relatively higher efficiency achieved for the dyes with branched chains may be related to the better effect of suppressing the dye aggregation and charge recombination. Furthermore, the coadsorption approach was employed, and a highest efficiency of 9.62% was achieved for the dye that features branched chains and the benzothiadiazole unit. These results compose a novel approach for developing efficient DSSCs by combining the coadsorbent with a porphyrin dye containing both the additional benzothiadiazole acceptor and branched alkoxy chains.

Keywords
Dye-sensitized solar cells, Porphyrin, Sensitizer, Push-pull structure, Branched chains
National Category
Chemical Sciences
Identifiers
urn:nbn:se:kth:diva-199725 (URN)10.1016/j.dyepig.2016.10.041 (DOI)000390182700049 ()2-s2.0-85002694348 (Scopus ID)
Note

QC 20170126

Available from: 2017-01-26 Created: 2017-01-16 Last updated: 2017-11-29Bibliographically approved
Wang, S., Li, X., Zhao, W., Chen, X., Zhang, J., Ågren, H., . . . Chen, W. (2017). Cu2+-Selectivity gated photochromism in Schiff-modified diarylethenes with a star-shaped structure. Journal of Materials Chemistry C, 5(2), 282-289
Open this publication in new window or tab >>Cu2+-Selectivity gated photochromism in Schiff-modified diarylethenes with a star-shaped structure
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2017 (English)In: Journal of Materials Chemistry C, ISSN 2050-7526, E-ISSN 2050-7534, Vol. 5, no 2, p. 282-289Article in journal (Refereed) Published
Abstract [en]

A great deal of effort has been devoted to developing gated photochromic systems due to their advantages in the smart materials and opto-electronic fields, whereas the gating function through certain ions has rarely been addressed. Since the photochromic materials gated by ions can be readily further processed into a multi-functional molecular switch and probe, we herein designed and conveniently synthesized a star-shaped Schiff-based diarylethene derivative showing typical photochromic properties in solution. This compound possesses two response channels (colorimetric and fluorogenic) to Cu2+ ions with photoswitching characteristics, making it a viable photochromic probe. It is noteworthy that its photochromic reactivity can be locked when Cu2+ ions are introduced into the solution. Moreover, the photoinactive and photoactive states can be interchanged reversibly by binding Cu2+ ions and unbinding Cu2+ ions using EDTA, which shows promise for application in multi-controlled molecular switches and smart materials. The mechanism of the photochromic properties locked by Cu2+ ions is reasonably proposed by theoretical simulations. These results could be valuable for the further development of molecular switching systems with multiple stimuli responses.

National Category
Materials Chemistry
Identifiers
urn:nbn:se:kth:diva-202647 (URN)10.1039/c6tc04756d (DOI)000392813800005 ()2-s2.0-85009063841 (Scopus ID)
Note

QC 20170307

Available from: 2017-03-07 Created: 2017-03-07 Last updated: 2017-11-29Bibliographically approved
Yang, G., Tang, Y., Li, X., Ågren, H. & Xie, Y. (2017). Efficient Solar Cells Based on Porphyrin Dyes with Flexible Chains Attached to the Auxiliary Benzothiadiazole Acceptor: Suppression of Dye Aggregation and the Effect of Distortion. ACS Applied Materials and Interfaces, 9(42), 36875-36885
Open this publication in new window or tab >>Efficient Solar Cells Based on Porphyrin Dyes with Flexible Chains Attached to the Auxiliary Benzothiadiazole Acceptor: Suppression of Dye Aggregation and the Effect of Distortion
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2017 (English)In: ACS Applied Materials and Interfaces, ISSN 1944-8244, E-ISSN 1944-8252, Vol. 9, no 42, p. 36875-36885Article in journal (Refereed) Published
Abstract [en]

Donor-pi-acceptor-type porphyrin dyes have been widely used for the fabrication of efficient dye-sensitized solar cells (DSSCs) owing to their strong absorption in the visible region and the ease of modifying their chemical structures and photovoltaic behavior. On the basis of our previously reported efficient porphyrin dye XW11, which contains a phenothiazine-based electron donor, a pi-extending ethynylene unit, and an auxiliary benzothiadiazole acceptor, we herein report the syntheses of novel porphyrin dyes XW26- XW28 by introducing one or two alkyl/alkoxy chains into the auxiliary acceptor. The introduced chains can effectively suppress dye aggregation. As a result, XW26 XW28 show excellent photovoltages of 700, 701, and 711 mV, respectively, obviously higher than 645 mV obtained for XW11. Nevertheless, the optimized structures of XW26 and XW27 exhibit severe distortion, showing large dihedral angles of 57.2(circle) and 44.0(circle), respectively, between the benzothiadiazole and benzoic acid units, resulting from the steric hindrance between the benzoic acid unit and the neighboring alkyl/alkoxy chain on the benzothiadiazole unit, and thus blue-shifted absorption, decreased photocurrents. and low efficiencies of 5.19% and 6.42% were observed for XW26 and XW27, respectively. Interestingly, XW26 exhibits a more blue -shifted absorption spectrum relative to XW27, indicating that the steric hindrance of the alkyl/alkoxy chains has a more pronounced effect than the electronic effect. Different from XW26 and XW27, XW28 contains only one alkyl chain neighboring the ethynylene unit, which does not induce obvious steric hindrance with the benzoic acid unit, and thus distortion of the molecule is not seriously aggravated compared with XW11. Hence, its absorption spectrum and photocurrent are similar to those of XW11. As a result, a higher efficiency of 9.12% was achieved for XW28 because of its suppressed dye aggregation and higher photovoltage. It is worth noting that a high efficiency of 10.14% was successfully achieved for XW28 upon coadsorption with CD CA, which is also higher than the corresponding efficiency obtained for XW11. These results provide a novel approach for developing efficient porphyrin dyes by introducing chains into the suitable position of the auxiliary benzothiadiazolyl moiety to suppress dye aggregation, without seriously aggravating distortion of the dye molecules.

Place, publisher, year, edition, pages
AMER CHEMICAL SOC, 2017
Keywords
dye-sensitized solar cells, porphyrin, benzothiadiazole, dye aggregation, molecular distortion
National Category
Biological Sciences
Identifiers
urn:nbn:se:kth:diva-217751 (URN)10.1021/acsami.7b12066 (DOI)000414115700042 ()28972788 (PubMedID)2-s2.0-85032882558 (Scopus ID)
Note

QC 20171122

Available from: 2017-11-22 Created: 2017-11-22 Last updated: 2017-11-22Bibliographically approved
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ORCID iD: ORCID iD iconorcid.org/0000-0001-6508-8355

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