A5023551308- Mosquito-borne diseases and control
- Protein Structure and Dynamics
- NMR spectroscopy and applications
- DNA and Nucleic Acid Chemistry
- HIV Research and Treatment
- Biochemical and Molecular Research
- Molecular spectroscopy and chirality
- RNA and protein synthesis mechanisms
- Advanced MRI Techniques and Applications
- Computational Drug Discovery Methods
- SARS-CoV-2 and COVID-19 Research
- Viral Infections and Vectors
- Advanced Nanomaterials in Catalysis
- Metabolomics and Mass Spectrometry Studies
- Viral Infections and Outbreaks Research
- Neonatal Health and Biochemistry
- Enzyme Structure and Function
- Spectroscopy and Chemometric Analyses
- HIV/AIDS drug development and treatment
- Advanced biosensing and bioanalysis techniques
- Pneumonia and Respiratory Infections
- Analytical Chemistry and Chromatography
- Mass Spectrometry Techniques and Applications
- Endoplasmic Reticulum Stress and Disease
- Nanoparticles: synthesis and applications
Swedish University of Agricultural Sciences
2019-2025
Swedish Species Information Centre
2024
University of Tartu
2023
KTH Royal Institute of Technology
2023
Uppsala University
1993-2023
Medivir (Sweden)
2008-2019
Integrated Cardio Metabolic Centre
2016-2017
University of Florence
2009
Nuclear magnetic resonance (NMR) spectroscopy serves as an indispensable tool in chemistry and biology but often suffers from long experimental times. We present a proof-of-concept of the application deep learning neural networks for high-quality, reliable, very fast NMR spectra reconstruction limited data. show that network training can be achieved using solely synthetic signals, which lifts prohibiting demand large volume realistic data usually required approach.
The activity of small non-photoactive titania nanoparticles against corona viruses emerges due most probably to direct membrane disruption via complexation with phospholipid molecules and their subsequent removal.
Alphaviruses are widely distributed in both hemispheres and circulate between mosquitoes amplifying vertebrate hosts. Geographically separated alphaviruses have adapted to replication particular organisms. The accumulating data suggest that this adaptation is determined not only by changes their glycoproteins but also the amino acid sequence of hypervariable domain (HVD) alphavirus nsP3 protein. We performed a detailed investigation chikungunya virus (CHIKV) HVD interactions with host...
Improvements to the DP4 computational structure elucidation method have led a 2-fold reduction in structural uncertainty and 7-fold improvement of statistical confidence.
What computational methods should be used to achieve the most reliable result in structure elucidation? A study on effect of quality and quantity geometries NMR elucidation performance is reported.
The nonuniform sampling (NUS) is a powerful approach to enable fast acquisition but requires sophisticated reconstruction algorithms. Faithful from partially sampled exponentials highly expected in general signal processing and many applications. Deep learning (DL) has shown astonishing potential this field, existing problems, such as lack of robustness explainability, greatly limit its In work, by combining the merits sparse model-based optimization method data-driven DL, we propose DL...
Abstract Nuclear magnetic resonance (NMR) spectroscopy serves as an indispensable tool in chemistry and biology but often suffers from long experimental times. We present a proof‐of‐concept of the application deep learning neural networks for high‐quality, reliable, very fast NMR spectra reconstruction limited data. show that network training can be achieved using solely synthetic signals, which lifts prohibiting demand large volume realistic data usually required approach.
Replication of the severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) strongly affects cellular metabolism and results in rapid development cytopathic effect (CPE). The hallmarks virus-induced modifications are inhibition translation mRNAs redirection translational machinery to synthesis virus-specific proteins. multifunctional nonstructural protein 1 (nsp1) SARS-CoV-2 is a major virulence factor key contributor shutoff. In this study, we applied wide range virological structural...
Per- and polyfluoroalkyl substances (PFAS) are very stable ubiquitously distributed in terrestrial aquatic environments, treatment remediation techniques for the removal of PFAS urgently needed. In this study, mesoporous silica matrix SBA-15 grafted with alkyl amino groups was used to remove perfluorooctanoate (PFOA) from aqueous solutions. The were onto by condensation silanes. synthesized adsorbents studied SEM, TEM, IR, low-temperature nitrogen sorption, XRD. solid-state liquid 19F NMR...
One of the crucial metabolic processes for both plant and animal kingdoms is oxidation amino acid tryptophan (TRP) that regulates growth controls hunger sleeping patterns in animals. Here, we report revolutionary insights into how this process can be crucially affected by interactions with metal oxide nanoparticles (NPs), creating a toolbox plethora important biomedical agricultural applications. Molecular mechanisms TRP–NP were revealed NMR optical spectroscopy ceria titania X-ray...
The DP4 parameter, which provides a confidence level for NMR assignment, has been widely used to help assign the structures of many stereochemically-rich molecules.
Serine proteases are one of the largest groups enzymes, found in both eukaryotes and prokaryotes, responsible for many different functions. The detailed information about hydrogen-bonds catalytic triad (Asp…His…Ser) these enzymes is importance order to fully understand mechanism action. aspartate hydrogen bonded histidine but exact nature this bond has been under discussion some time. It either a common short ionic (SIHB) or delocalized low barrier (LBHB) were shorter. So far, evidence LBHB...
A new deep neural network based on the WaveNet architecture (WNN) is presented, which designed to grasp specific patterns in NMR spectra. When trained at a fixed non-uniform sampling (NUS) schedule, WNN benefits from pattern recognition of corresponding point spread function (PSF) produced by each spectral peak resulting highest quality and robust reconstruction NUS spectra as demonstrated simulations exemplified this work 2D 1H-15N correlation three representative globular proteins with...
Conformational heterogeneity is critical for protein function, but the validation of dynamic ensembles remains a challenge. In this study, we introduced an approach that integrates free MD simulations, using AlphaFold-generated structure as starting point, with experimental relaxation data to identify biologically relevant conformational ensembles. For extracellular region Streptococcus pneumoniae PsrSp, found only certain segments long trajectory aligned well data. The defined revealed two...
Metal oxide species interact with biologically relevant molecules, which are crucial to the life cycle of plants and animals. oxides can also act as catalysts in various reactions required for proper plant development. In this study, we investigated hydrolysis inorganic Ce(IV) precursors presence carboxylic acids, leading formation oligonuclear cerium oxo-complexes. The structure was obtained by X-ray single-crystal studies found be hexanuclear, composition...
Alphavirus nsP3 proteins contain long, intrinsically disordered, hypervariable domains, HVD, which serve as hubs for interaction with many cellular proteins. Here, we have deciphered the mechanism and function of HVD host factors in alphavirus replication. Using NMR spectroscopy, show that CHIKV contains two SH3 domain-binding sites. an innovative chemical shift perturbation signature approach, demonstrate CD2AP is mediated by its SH3-A SH3-C this leaves SH3-B domain available other...
The ongoing world-wide Severe Acute Respiratory Syndrome coronavirus 2 (SARS-CoV-2) pandemic shows the need for new potential sensing and therapeutic means against CoV viruses. SARS-CoV-2 nsp1 protein is important, both replication pathogenesis, making it an attractive target intervention. In this study we investigated interaction of with two types titania nanoparticles by NMR discovered that while lactate capped particles essentially did not interact chain, aminoalcohol-capped ones showed...
Biocatalytic degradation with the use of enzymes has gained great attention in past few years due to its advantages high efficiency and environmental friendliness. Novel, cost-effective, green nanoadsorbents were produced this study, using natural silicates as an enzyme host matrix for core-shell immobilization technique. With silicate a core silica layer shell, it was possible encapsulate two different enzymes: horseradish peroxidase (HRP) laccase, removal three pharmaceuticals: diclofenac...
Decades of insufficient control have resulted in unprecedented spread chikungunya virus (CHIKV) around the globe, and millions suffered from highly debilitating disease. Nevertheless, current understanding CHIKV-host interactions adaptability to replication mosquitoes mammalian hosts is still elusive. Our new study shows that four-and-a-half LIM domain protein (FHL1) one host factors interact with hypervariable (HVD) CHIKV nsP3. Unlike G3BPs, FHL1 not a prerequisite replication, many...
Cellular proteins play critical roles in the assembly of alphavirus replication complexes (vRCs). Their recruitment is determined by viral nonstructural protein 3 (nsP3).
Abstract The dengue protease NS2B/NS3pro has been reported to adopt either an ‘open’ or a ‘closed’ conformation. We have developed conformational filter that combines NMR with MD simulations identify ensembles dominate in solution. Experimental values derived from relaxation parameters for the backbone and methyl side chains were compared corresponding back-calculated of different obtained free simulations. Our results demonstrate high prevalence ensemble while conformation is absent,...