| 1. |
- Beal, Jacob, et al.
(författare)
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Robust estimation of bacterial cell count from optical density
- 2020
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Ingår i: Communications Biology. - : Springer Science and Business Media LLC. - 2399-3642. ; 3:1
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Tidskriftsartikel (refereegranskat)abstract
- Optical density (OD) is widely used to estimate the density of cells in liquid culture, but cannot be compared between instruments without a standardized calibration protocol and is challenging to relate to actual cell count. We address this with an interlaboratory study comparing three simple, low-cost, and highly accessible OD calibration protocols across 244 laboratories, applied to eight strains of constitutive GFP-expressing E. coli. Based on our results, we recommend calibrating OD to estimated cell count using serial dilution of silica microspheres, which produces highly precise calibration (95.5% of residuals <1.2-fold), is easily assessed for quality control, also assesses instrument effective linear range, and can be combined with fluorescence calibration to obtain units of Molecules of Equivalent Fluorescein (MEFL) per cell, allowing direct comparison and data fusion with flow cytometry measurements: in our study, fluorescence per cell measurements showed only a 1.07-fold mean difference between plate reader and flow cytometry data.
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| 2. |
- Pang, Kanglei, 1993-, et al.
(författare)
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Redirecting configuration of atomically dispersed selenium catalytic sites for efficient hydrazine oxidation
- 2024
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Ingår i: Matter. - 2590-2393 .- 2590-2385. ; 7:2, s. 655-667
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Tidskriftsartikel (refereegranskat)abstract
- Understanding the reconstruction of surface sites is crucial for gaining insights into the true active sites and catalytic mechanisms. While extensive research has been conducted on reconstruction behaviors of atomically dispersed metallic catalytic sites, limited attention has been paid to non-metallic ones despite their potential catalytic activity comparable or even superior to their noble-metal counterpart. Herein, we report a carbonaceous, atomically dispersed non-metallic selenium catalyst that displayed exceptional catalytic activity in the hydrazine oxidation reaction (HzOR) in alkaline media, outperforming the noble-metal Pt catalysts. In situ X-ray absorption spectroscopy (XAS) and Fourier transform infrared spectroscopy revealed that the pristine SeC4 site pre-adsorbs an ∗OH ligand, followed by HzOR occurring on the other side of the OH–SeC4. Theoretical calculations proposed that the pre-adsorbed ∗OH group pulls electrons from the Se site, resulting in a more positively charged Se and a higher polarity of Se–C bonds, thereby enhancing surface reactivity toward HzO/R.
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| 3. |
- Han, Ning, et al.
(författare)
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Lowering the kinetic barrier via enhancing electrophilicity of surface oxygen to boost acidic oxygen evolution reaction
- 2024
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Ingår i: Matter. - 2590-2393 .- 2590-2385. ; 7:3, s. 1330-1343
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Tidskriftsartikel (refereegranskat)abstract
- The acidic oxygen evolution reaction (OER) is essential for many renewable energy conversion and storage technologies. However, the high energy required to break the strong covalent O-H bond of H2O in acidic media results in sluggish OER kinetics. Here, we report the critical role of iron in a new family of iron-containing yttrium ruthenate (Y2-xFexRu2O7-δ) electrocatalysts in highly increasing the electrophilicity of surface oxygen, leading to a significant reduction of the kinetics barrier by 33%, thus an exceptional OER mass activity of 1,021 A· up to 12.4 and 7.7 times that of Y2Ru2O7-δ and RuO2, respectively. Introducing iron reduces the Mulliken atomic charge on the O sites in the generated Ru-O-Fe structure, thereby facilitating the acid-base nucleophilic assault from H2O and reducing the free energy on the rate-determining step of OER. This work provides an effective strategy to reduce the kinetics barrier to achieve highly efficient and economic OER in acidic conditions.
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| 4. |
- Wang, Yuming, et al.
(författare)
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Origins of the open-circuit voltage in ternary organic solar cells and design rules for minimized voltage losses
- 2023
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Ingår i: Nature Energy. - : NATURE PORTFOLIO. - 2058-7546. ; 8:9, s. 978-988
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Tidskriftsartikel (refereegranskat)abstract
- The power conversion efficiency of ternary organic solar cells (TOSCs), consisting of one host binary blend and one guest component, remains limited by large voltage losses. The fundamental understanding of the open-circuit voltage (V-OC) in TOSCs is controversial, limiting rational design of the guest component. In this study, we systematically investigate how the guest component affects the radiative and non-radiative related parts of V-OC of a series of TOSCs using the detailed balanced principle. We highlight that the thermal population of charge-transfer and local exciton states provided by the guest binary blend (that is, the guest-component-based binary blend) has a significant influence on the non-radiative voltage losses. Ultimately, we provide two design rules for enhancing the V-OC in TOSCs: high emission yield for the guest binary blend and similar charge-transfer-state energies for host/guest binary blends; high miscibility of the guest component with the low gap component in the host binary blend. The performance of ternary organic solar cells is limited by voltage losses. Using the detailed balance principle, Wang et al. show how the third component of the blend affects the open-circuit voltage and delineate molecular design rules.
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| 5. |
- Wu, Jingnan, 1994, et al.
(författare)
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On the Conformation of Dimeric Acceptors and Their Polymer Solar Cells with Efficiency over 18 %
- 2023
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Ingår i: Angewandte Chemie International Edition. - : John Wiley & Sons. - 1433-7851 .- 1521-3773. ; 62:45
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Tidskriftsartikel (refereegranskat)abstract
- The determination of molecular conformations of oligomeric acceptors (OAs) and their impact on molecular packing are crucial for understanding the photovoltaic performance of their resulting polymer solar cells (PSCs) but have not been well studied yet. Herein, we synthesized two dimeric acceptor materials, DIBP3F-Se and DIBP3F-S, which bridged two segments of Y6-derivatives by selenophene and thiophene, respectively. Theoretical simulation and experimental 1D and 2D NMR spectroscopic studies prove that both dimers exhibit O-shaped conformations other than S- or U-shaped counter-ones. Notably, this O-shaped conformation is likely governed by a distinctive "conformational lock" mechanism, arising from the intensified intramolecular & pi;-& pi; interactions among their two terminal groups within the dimers. PSCs based on DIBP3F-Se deliver a maximum efficiency of 18.09 %, outperforming DIBP3F-S-based cells (16.11 %) and ranking among the highest efficiencies for OA-based PSCs. This work demonstrates a facile method to obtain OA conformations and highlights the potential of dimeric acceptors for high-performance PSCs.
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| 6. |
- 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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| 7. |
- 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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| 8. |
- Hultmark, Sandra, 1994, et al.
(författare)
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Suppressing Co-Crystallization of Halogenated Non-Fullerene Acceptors for Thermally Stable Ternary Solar Cells
- 2020
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Ingår i: Advanced Functional Materials. - : Wiley. - 1616-3028 .- 1616-301X. ; 30:48
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Tidskriftsartikel (refereegranskat)abstract
- While photovoltaic blends based on non-fullerene acceptors are touted for their thermal stability, this type of acceptor tends to crystallize, which can result in a gradual decrease in photovoltaic performance and affects the reproducibility of the devices. Two halogenated indacenodithienothiophene-based acceptors that readily co-crystallize upon mixing are studied, which indicates that the use of an acceptor mixture alone does not guarantee the formation of a disordered mixture. The addition of the donor polymer to the acceptor mixture readily suppresses the crystallization, which results in a fine-grained ternary blend with nanometer-sized domains that do not coarsen due to a high Tg ≈ 200 °C. As a result, annealing at temperatures of up to 170 °C does not markedly affect the photovoltaic performance of ternary devices, in contrast to binary devices that suffer from acceptor crystallization in the active layer. The results indicate that the ternary approach enables the use of high-temperature processing protocols, which are needed for upscaling and high-throughput fabrication of organic solar cells. Further, ternary devices display a stable photovoltaic performance at 130 °C for at least 205 h, which indicates that the use of acceptor mixtures allows to fabricate devices with excellent thermal stability.
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| 9. |
- Wu, Jingnan, 1994, et al.
(författare)
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Modulating the nanoscale morphology on carboxylate-pyrazine containing terpolymer toward 17.8% efficiency organic solar cells with enhanced thermal stability
- 2022
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Ingår i: Chemical Engineering Journal. - : Elsevier BV. - 1385-8947. ; 446
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Tidskriftsartikel (refereegranskat)abstract
- It had been commonly accepted in the organic photovoltaic (OPV) community that subtle variations in the molecular structure of active layer materials would cause profound impacts on their aggregating structure and blend morphology and therefore the performance of such polymer solar cells (PSCs). Herein, we employed an electron-deficient building block 3,6-dithiophenyl-2-carboxylate pyrazine (DTCPz) for constructing one series of promising donor terpolymers of PMZ1, PMZ2, and PMZ3, respectively, gaining their relatively lower-lying highest occupied molecular orbital (HOMO) energy levels, more closed π-π stacking and enhanced crystallinity in thin films, and lower miscibility with acceptor Y6, in comparison with their parent polymer counterpart (namely PM6). Reaching DTCPz moieties up to 20% (mol/mol%) in its terpolymer composition, the resulting polymer (PMZ2) achieved more favorable phase separation with improved exciton dissociation, and charge transport and extraction. As a result, an outstanding fill factor of 77.2% and a promising power conversion efficiency of 17.8 % was achieved. Moreover, the corresponding device shows better thermal stability over the PM6-based one. This work suggests a facile method for significantly improving the thin film morphology of the active-layer materials via fine-tuning the chemical structure of electron-deficient units on the backbone of the wide bandgap donor polymer, therefore achieving enhanced photovoltaic performance and thermal stability for practical applications.
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| 10. |
- 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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