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| 2. |
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| 3. |
- Bravo, L, et al.
(författare)
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- 2021
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swepub:Mat__t
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| 4. |
- Tabiri, S, et al.
(författare)
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- 2021
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swepub:Mat__t
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| 5. |
- Glasbey, JC, et al.
(författare)
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- 2021
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swepub:Mat__t
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| 6. |
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| 9. |
- Liu, DJ, et al.
(författare)
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Schizophrenia risk conferred by rare protein-truncating variants is conserved across diverse human populations
- 2023
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Ingår i: Nature genetics. - : Springer Science and Business Media LLC. - 1546-1718 .- 1061-4036. ; 55:3, s. 369-
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Tidskriftsartikel (refereegranskat)abstract
- Schizophrenia (SCZ) is a chronic mental illness and among the most debilitating conditions encountered in medical practice. A recent landmark SCZ study of the protein-coding regions of the genome identified a causal role for ten genes and a concentration of rare variant signals in evolutionarily constrained genes1. This recent study—and most other large-scale human genetics studies—was mainly composed of individuals of European (EUR) ancestry, and the generalizability of the findings in non-EUR populations remains unclear. To address this gap, we designed a custom sequencing panel of 161 genes selected based on the current knowledge of SCZ genetics and sequenced a new cohort of 11,580 SCZ cases and 10,555 controls of diverse ancestries. Replicating earlier work, we found that cases carried a significantly higher burden of rare protein-truncating variants (PTVs) among evolutionarily constrained genes (odds ratio = 1.48; P = 5.4 × 10−6). In meta-analyses with existing datasets totaling up to 35,828 cases and 107,877 controls, this excess burden was largely consistent across five ancestral populations. Two genes (SRRM2 and AKAP11) were newly implicated as SCZ risk genes, and one gene (PCLO) was identified as shared by individuals with SCZ and those with autism. Overall, our results lend robust support to the rare allelic spectrum of the genetic architecture of SCZ being conserved across diverse human populations.
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| 11. |
- Bethlehem, RAI, et al.
(författare)
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Brain charts for the human lifespan
- 2022
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Ingår i: Nature. - : Springer Science and Business Media LLC. - 1476-4687 .- 0028-0836. ; 604:79057906, s. 525-
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Tidskriftsartikel (refereegranskat)abstract
- Over the past few decades, neuroimaging has become a ubiquitous tool in basic research and clinical studies of the human brain. However, no reference standards currently exist to quantify individual differences in neuroimaging metrics over time, in contrast to growth charts for anthropometric traits such as height and weight1. Here we assemble an interactive open resource to benchmark brain morphology derived from any current or future sample of MRI data (http://www.brainchart.io/). With the goal of basing these reference charts on the largest and most inclusive dataset available, acknowledging limitations due to known biases of MRI studies relative to the diversity of the global population, we aggregated 123,984 MRI scans, across more than 100 primary studies, from 101,457 human participants between 115 days post-conception to 100 years of age. MRI metrics were quantified by centile scores, relative to non-linear trajectories2 of brain structural changes, and rates of change, over the lifespan. Brain charts identified previously unreported neurodevelopmental milestones3, showed high stability of individuals across longitudinal assessments, and demonstrated robustness to technical and methodological differences between primary studies. Centile scores showed increased heritability compared with non-centiled MRI phenotypes, and provided a standardized measure of atypical brain structure that revealed patterns of neuroanatomical variation across neurological and psychiatric disorders. In summary, brain charts are an essential step towards robust quantification of individual variation benchmarked to normative trajectories in multiple, commonly used neuroimaging phenotypes.
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| 16. |
- 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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| 17. |
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| 18. |
- Shoji, Y., et al.
(författare)
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An Element-Substituted Cyclobutadiene Exhibiting High-Energy Blue Phosphorescence
- 2021
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Ingår i: Angewandte Chemie International Edition. - : John Wiley and Sons Inc. - 1433-7851 .- 1521-3773. ; 60:40, s. 21817-21823
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Tidskriftsartikel (refereegranskat)abstract
- 1,3,2,4-Diazadiboretidine, an isoelectronic heteroanalogue of cyclobutadiene, is an interesting chemical species in terms of comparison with the carbon system, whereas its properties have never been investigated experimentally. According to Baird's rule, Hückel antiaromatic cyclobutadiene acquires aromaticity in the lowest triplet state. Here we report experimental and theoretical studies on the ground- and excited-state antiaromaticity/aromaticity as well as the photophysical properties of an isolable 1,3,2,4-diazadiboretidine derivative. The crystal structure of the diazadiboretidine derivative revealed that the B2N2 ring adopts a planar rhombic geometry in the ground state. Yet, theoretical calculations showed that the B2N2 ring turns to a square geometry with a nonaromatic character in the lowest triplet state. Notably, the diazadiboretidine derivative has the lowest singlet and triplet states lying at close energy levels and displays blue phosphorescence.
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| 19. |
- Mkrtchyan, Satenik, et al.
(författare)
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Mechanochemical Defluorinative Acylation of ortho-Hydroxyarylenaminones by CF3-Compounds: Synthesis of 3-Acylchromones
- 2023
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Ingår i: Advanced Synthesis and Catalysis. - : Wiley. - 1615-4150 .- 1615-4169. ; 365:12, s. 2026-2035
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Tidskriftsartikel (refereegranskat)abstract
- An alternative strategy for the mechanochemical defluorinative acylation of ortho-hydroxyarylenaminones has been developed to synthesise 3-acylchromones utilizing CF3-compounds via activation of the C−F bound of the trifluoromethyl group in the presence of ytterbia (Yb2O3). The current protocol tolerated a wide range of coupling substrates to access a library of diversely substituted 3-acylchromones under the mechanochemically induced domino cyclisation mode. This is the first report for the deflourinative transformation of the inert CF3 group to the corresponding carbonyl functionality under the mechanochemical conditions.
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| 20. |
- Mkrtchyan, Satenik, et al.
(författare)
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Metal-Free Supramolecular Reduction of Nitro Compounds into the Cucurbit[7]uril Cavity : Testing the Enabling Technique in Aqueous Media
- 2023
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Ingår i: ACS Sustainable Chemistry and Engineering. - : American Chemical Society (ACS). - 2168-0485. ; 11:23, s. 8406-8412
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Tidskriftsartikel (refereegranskat)abstract
- This protocol describes metal-free supramolecular reductionof nitroarenes into the cucurbit[7]-uril cavity under the blue lightirradiation (390 nm). A metal-free strategy for the supramolecular reductionof nitroarenesin a cucurbit[7]-uril (CB[7]) cavity has been developed under bluelight (390 nm) irradiation using a mixture of aqueous sodium chloride/dichloromethaneas the reaction media. The protocol was found to be simple, efficient,and environmentally benign to obtain diversely substituted anilines,including heterocyclic and aliphatic amines with excellent yields.This is the first ever report describing the blue light-driven supramolecularreduction of nitroarenes into a CB[7] cavity. The mechanism of thistransformation was simulated by the DFT method.
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| 21. |
- Mushtaq, I, et al.
(författare)
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A unique amphiphilic triblock copolymer, nontoxic to human blood and potential supramolecular drug delivery system for dexamethasone
- 2021
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Ingår i: Scientific reports. - : Springer Science and Business Media LLC. - 2045-2322. ; 11:1, s. 21507-
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Tidskriftsartikel (refereegranskat)abstract
- The drug delivery system (DDS) often causes toxicity, triggering undesired cellular injuries. Thus, developing supramolecules used as DDS with tunable self-assembly and nontoxic behavior is highly desired. To address this, we aimed to develop a tunable amphiphilic ABA-type triblock copolymer that is nontoxic to human blood cells but also capable of self-assembling, binding and releasing the clinically used drug dexamethasone. We synthesized an ABA-type amphiphilic triblock copolymer (P2L) by incorporating tetra(aniline) TANI as a hydrophobic and redox active segment along with monomethoxy end-capped polyethylene glycol (mPEG2k; Mw = 2000 g mol−1) as biocompatible, flexible and hydrophilic part. Cell cytotoxicity was measured in whole human blood in vitro and lung cancer cells. Polymer-drug interactions were investigated by UV–Vis spectroscopy and computational analysis. Our synthesized copolymer P2L exhibited tuned self-assembly behavior with and without external stimuli and showed no toxicity in human blood samples. Computational analysis showed that P2L can encapsulate the clinically used drug dexamethasone and that drug uptake or release can also be triggered under oxidation or low pH conditions. In conclusion, copolymer P2L is nontoxic to human blood cells with the potential to carry and release anticancer/anti-inflammatory drug dexamethasone. These findings may open up further investigations into implantable drug delivery systems/devices with precise drug administration and controlled release at specific locations.
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| 22. |
- Papadakis, Raffaello, et al.
(författare)
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Metal-free photochemical silylations and transfer hydrogenations of benzenoid hydrocarbons and graphene
- 2016
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Ingår i: Nature Communications. - : Nature Publishing Group. - 2041-1723. ; 7
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Tidskriftsartikel (refereegranskat)abstract
- The first hydrogenation step of benzene, which is endergonic in the electronic ground state (S 0), becomes exergonic in the first triplet state (T 1). This is in line with Baird's rule, which tells that benzene is antiaromatic and destabilized in its T 1 state and also in its first singlet excited state (S 1), opposite to S 0, where it is aromatic and remarkably unreactive. Here we utilized this feature to show that benzene and several polycyclic aromatic hydrocarbons (PAHs) to various extents undergo metal-free photochemical (hydro)silylations and transfer-hydrogenations at mild conditions, with the highest yield for naphthalene (photosilylation: 21%). Quantum chemical computations reveal that T 1-state benzene is excellent at H-atom abstraction, while cyclooctatetraene, aromatic in the T 1 and S 1 states according to Baird's rule, is unreactive. Remarkably, also CVD-graphene on SiO 2 is efficiently transfer-photohydrogenated using formic acid/water mixtures together with white light or solar irradiation under metal-free conditions. © The Author(s) 2016.
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| 23. |
- Raheel, A., et al.
(författare)
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Synthesis, antimicrobial activity, urease inhibition and molecular docking studies of new proline linked thiourea derivatives
- 2020
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Ingår i: Revue roumaine de chimie. - : Editura Academiei Romane. - 0035-3930. ; 65:9, s. 783-788
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Tidskriftsartikel (refereegranskat)abstract
- A series of new thiourea based carboxylic acids (Ia-Ie) were synthesized and characterized by elemental analysis, FTIR and NMR (1H and 13C) spectroscopy. They were preliminary bioassayed for their antibacterial, anifungal and urease inhibition activities. Molecular docking simulations were carried out to determine the probable binding mode of the synthesized compounds. The bioassay results showed that some of titled compounds exhibited encouraging results.
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| 24. |
- Raheel, A., et al.
(författare)
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Synthesis, Characterization and DFT Study of Bioactive 2-[(2-Methylpropanoyl)amino]propanoic Acid and Its Polymeric Tributyltin(IV) Derivative
- 2019
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Ingår i: ChemistrySelect. - : Wiley-Blackwell. - 2365-6549. ; 4:29, s. 8638-8644
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Tidskriftsartikel (refereegranskat)abstract
- Tributyltin(IV) derivative (1) was synthesized by reacting the ligand (A1) {2-[(2-methylpropanoyl)amino]propanoic acid} with tributyltin(IV)chloride in presence of potassium hydroxide. The compounds were characterized by elemental analysis, FTIR and multinuclear (1H, 13C and 119Sn) NMR spectroscopy. The 119Sn NMR data for (1) suggest that tin is five coordinated having trigonal bipyramidal molecular geometry. Molecular structures for (1) and (A1) were determined by single crystal X-ray analysis. Some new and novel structural features of the compounds, are reported first time. Tributyltin(IV) complex has distorted trigonal bipyramidal molecular geometry around tin in the solid state exhibiting single chain tetramer which may be ascribed as tetra-nuclear cage structure that is constructed from four tributyltin units and four ligand moieties. The tributyltin(IV) entities are bridged by one oxygen of the carboxylic group of one ligand and another oxygen of the amidic carbonyl of next ligand. The nature of Sn…O bond was analyzed with the help of natural bond orbital (NBO) analysis. The compounds were also screened in vitro for their anti-microbial and urease inhibition activities, and found some encouraging results.
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| 25. |
- Shoji, Yoshiaki, et al.
(författare)
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Inside Cover : An Element-Substituted Cyclobutadiene Exhibiting High-Energy Blue Phosphorescence (Angew. Chem. Int. Ed. 40/2021)
- 2021
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Ingår i: Angewandte Chemie International Edition. - : John Wiley & Sons. - 1433-7851 .- 1521-3773. ; 60:40, s. 21598-21598
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Tidskriftsartikel (refereegranskat)abstract
- The ground- and excited-state properties of a diazadiboretidine (DADBT) derivative, an isoelectronic heterocyclic analogue of cyclobutadiene, are reported by Henrik Ottosson, Hiromi Nakai, Tadaaki Ikoma, Takanori Fukushima, and co-workers in their Research Article on page 21817. While the B2N2 ring of the DADBT derivative adopts a rhombic geometry in the ground state, it turns to a square geometry with a nonaromatic character in the lowest triplet state. Notably, the DADBT derivative displays blue phosphorescence in solution, providing insight into the photophysical properties of heterocyclic pi-systems.+
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