| 1. |
- Ding, Shaozhen, et al.
(författare)
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novoPathFinder: a webserver of designing novel-pathway with integrating GEM-model
- 2020
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Ingår i: Nucleic Acids Research. - : Oxford University Press (OUP). - 0305-1048 .- 1362-4962. ; 48:W1, s. W477-W487
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Tidskriftsartikel (refereegranskat)abstract
- To increase the number of value-added chemicals that can be produced by metabolic engineering and synthetic biology, constructing metabolic space with novel reactions/pathways is crucial. However, with the large number of reactions that existed in the metabolic space and complicated metabolisms within hosts, identifying novel pathways linking two molecules or heterologous pathways when engineering a host to produce a target molecule is an arduous task. Hence, we built a user-friendly web server, novoPathFinder, which has several features: (i) enumerate novel pathways between two specified molecules without considering hosts; (ii) construct heterologous pathways with known or putative reactions for producing target molecule within Escherichia coli or yeast without giving precursor; (iii) estimate novel pathways with considering several categories, including enzyme promiscuity, Synthetic Complex Score (SCScore) and LD50 of intermediates, overall stoichiometric conversions, pathway length, theoretical yields and thermodynamic feasibility. According to the results, novoPathFinder is more capable to recover experimentally validated pathways when comparing other rule-based web server tools. Besides, more efficient pathways with novel reactions could also be retrieved for further experimental exploration. novoPathFinder is available at http://design.rxnfinder.org/novopathfinder/.
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| 2. |
- Han, Mengying, et al.
(författare)
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ChemHub: a knowledgebase of functional chemicals for synthetic biology studies
- 2021
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Ingår i: Bioinformatics. - : Oxford University Press (OUP). - 1367-4803 .- 1367-4811 .- 1460-2059. ; 37:22, s. 4275-4276
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Tidskriftsartikel (refereegranskat)abstract
- The field of synthetic biology lacks a comprehensive knowledgebase for selecting synthetic target molecules according to their functions, economic applications and known biosynthetic pathways. We implemented ChemHub, a knowledgebase containing >90 000 chemicals and their functions, along with related biosynthesis information for these chemicals that was manually extracted from >600 000 published studies by more than 100 people over the past 10 years.
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| 3. |
- Ji, Yanan, et al.
(författare)
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Huge upconversion luminescence enhancement by a cascade optical field modulation strategy facilitating selective multispectral narrow-band near-infrared photodetection
- 2020
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Ingår i: Light. - : SPRINGERNATURE. - 2095-5545 .- 2047-7538. ; 9:1
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Tidskriftsartikel (refereegranskat)abstract
- Since selective detection of multiple narrow spectral bands in the near-infrared (NIR) region still poses a fundamental challenge, we have, in this work, developed NIR photodetectors (PDs) using photon upconversion nanocrystals (UCNCs) combined with perovskite films. To conquer the relatively high pumping threshold of UCNCs, we designed a novel cascade optical field modulation strategy to boost upconversion luminescence (UCL) by cascading the superlensing effect of dielectric microlens arrays and the plasmonic effect of gold nanorods, which readily leads to a UCL enhancement by more than four orders of magnitude under weak light irradiation. By accommodating multiple optically active lanthanide ions in a core-shell-shell hierarchical architecture, developed PDs on top of this structure can detect three well-separated narrow bands in the NIR region, i.e., those centered at 808, 980, and 1540 nm. Due to the large UCL enhancement, the obtained PDs demonstrate extremely high responsivities of 30.73, 23.15, and 12.20 A W-1 and detectivities of 5.36, 3.45, and 1.91 x 10(11) Jones for 808, 980, and 1540 nm light detection, respectively, together with short response times in the range of 80-120 ms. Moreover, we demonstrate for the first time that the response to the excitation modulation frequency of a PD can be employed to discriminate the incident light wavelength. We believe that our work provides novel insight for developing NIR PDs and that it can spur the development of other applications using upconversion nanotechnology. Cascade amplified upconversion luminescence: Applied in narrow band NIR photodetection Selective detection of multiple narrow spectral bands in the near-infrared (NIR) region is still a challenge. Recently, Hongwei Song and Wen Xu at Jilin University/China, Haichun Liu at KTH Royal Institute of Technology/Sweden, and their co-workers have successfully fabricated a novel multiple NIR bands photo-detectors (PDs) by combining multiple-excitation-bands core-shell upconversion nanocrystals (UCNCs) with MAPbI(3) perovskite photoelectric conversion layer. Through a cascade optical field modulation strategy, a combination of microlenses and gold plasmon nanocrystals, the emission intensity of the UCNCs and the photoelectric signal of the PDs can be enhanced four orders of magnitude. Moreover, the excitation frequency of the PD has been employed to discriminate the wavelength of incident light for the first time. This work provides a novel insight for developing multiple bands NIR PDs, and for applications of upconversion nanotechnology.
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| 4. |
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| 5. |
- Sun, Ya-Nan, et al.
(författare)
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Synergetic contribution of nitrogen and fluorine species in porous carbons as metal-free and bifunctional oxygen electrocatalysts for zinc-air batteries
- 2021
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Ingår i: Applied Catalysis B. - : Elsevier BV. - 0926-3373 .- 1873-3883. ; 297
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Tidskriftsartikel (refereegranskat)abstract
- High-efficient bifunctional catalysts for oxygen reduction reaction (ORR) and oxygen evolution reaction (OER) are critical to the practical application of zinc–air batteries. Herein, a comprehensive investigation on the synergetic contribution of nitrogen (N) and fluorine (F) species in porous carbon for ORR/OER catalyses is firstly conducted. The metal-free N, F co-doped porous carbon (NFPC) possesses appealing catalytic activities in zinc–air batteries and is superior to many other catalysts. Combined with the careful exploration of N and F dopants, seventeen optimized carbon cluster structures with all possible co-doping of N and F species are considered for density functional theory calculations. It can be inferred that the F doping with graphitic and pyridinic N triggers active paramagnetic centers. The co-doping of covalent F and graphitic N especially gives the lowest free energy barrier for both ORR/OER, which could account for the notable performance of NFPC catalysts in zinc–air batteries.
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| 6. |
- Xu, Wen, et al.
(författare)
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Localized surface plasmon resonances in self-doped copper chalcogenide binary nanocrystals and their emerging applications
- 2020
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Ingår i: Nano Today. - : Elsevier BV. - 1748-0132 .- 1878-044X. ; 33, s. 100892-
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Forskningsöversikt (refereegranskat)abstract
- Owing to their extraordinary surface plasmon and semiconductor properties, copper chalcogenide nanocrystals (NCs) have experienced a steeply increased interest for various types of applications since the first discovery of their plasmonic property in 2009. This article critically and comprehensively reviews the decade long research effort devoted to doped plasmonic copper chalcogenide binary NCs with respect to their synthesis methods, their theoretical description and various applications. In particular, we focus on factors that impact their localized surface plasmon resonances (LSPRs) and on methods used for tuning the LSPRs. We emphasize the underlying mechanisms of LSPR generation and the unique roles and advantages of the copper chalcogenide NCs with respect to the commonly attended plasmonic metal nanoparticles. Finally, we review current challenges in the field of copper chalcogenide NCs and give a perspective for further research. We believe that this review provides a timely and concise summary of the field of plasmonic copper chalcogenide NCs for the benefit and inspiration of its rapid and formulated development.
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| 7. |
- Zhang, Dachuan, et al.
(författare)
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FRCD: A comprehensive food risk component database with molecular scaffold, chemical diversity, toxicity, and biodegradability analysis
- 2020
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Ingår i: Food Chemistry. - : Elsevier BV. - 0308-8146 .- 1873-7072. ; 318
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Tidskriftsartikel (refereegranskat)abstract
- The presence of natural toxins, pesticide residues, and illegal additives in food products has been associated with a range of potential health hazards. However, no systematic database exists that comprehensively includes and integrates all research information on these compounds, and valuable information remains scattered across numerous databases and extensive literature reports. Thus, using natural language processing technology, we curated 12,018 food risk components from 152,737 literature reports, 12 authoritative databases, and numerous related regulatory documents. Data on molecular structures, physicochemical properties, chemical taxonomy, absorption, distribution, metabolism, excretion, toxicity properties, and physiological targets within the human body were integrated to afford the comprehensive food risk component database (FRCD, http://www.rxnfinder.org/frcd/). We also analyzed the molecular scaffold and chemical diversity, in addition to evaluating the toxicity and biodegradability of the food risk components. The FRCD could be considered a highly promising tool for future food safety studies.
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| 8. |
- Zhang, Xin, et al.
(författare)
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Enhancing the Photovoltaic Performance of Triplet Acceptors Enabled by Side-Chain Engineering
- 2021
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Ingår i: Solar RRL. - : WILEY-V C H VERLAG GMBH. - 2367-198X. ; 5:10
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Tidskriftsartikel (refereegranskat)abstract
- Triplet excitons have both longer lifetimes and diffusion lengths than singlet excitons due to the nature of triplet excitons, which is expected to increase the photocurrent and further improve the performance of organic solar cells (OSCs). However, the working mechanism of triplet excitons in OSCs is not clearly clarified. Therefore, it is urgent to develop new triplet acceptors for in-depth understanding. Herein, a series of acceptors (BTn-4Cl) are synthesized by fine-tuning of the side-chain branch positions. The generation of triplet excitons of BTn-4Cl is confirmed by the time-resolved photoluminescence (TRPL) spectra, magnetophotocurrent (MPC) experiment, and electron paramagnetic resonance (EPR) spectra. The effects of side-chain engineering on the optoelectronic properties, packing behaviors, energy losses, charge transport properties, spin lifetimes of triplet polarons, and blend film morphologies are systematically studied. These results show that D18:BT3-4Cl-based OSCs possess the best power conversion efficiency (PCE) of 17.31% due to lower energy losses, less recombination losses, more balanced charge carrier mobilities, longer spin-lattice (T-1) relaxation time, and more favorable morphology. This work enhances the understanding of the structure-property relationship for high-performance triplet acceptors.
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