A5049601494- Carbohydrate Chemistry and Synthesis
- Glycosylation and Glycoproteins Research
- Escherichia coli research studies
- Protein Structure and Dynamics
- Bacteriophages and microbial interactions
- Microbial Metabolites in Food Biotechnology
- Molecular spectroscopy and chirality
- Advanced NMR Techniques and Applications
- Enzyme Structure and Function
- NMR spectroscopy and applications
- Enzyme Production and Characterization
- Bacterial Genetics and Biotechnology
- X-ray Diffraction in Crystallography
- Crystallization and Solubility Studies
- Polysaccharides and Plant Cell Walls
- Probiotics and Fermented Foods
- Monoclonal and Polyclonal Antibodies Research
- Viral gastroenteritis research and epidemiology
- Polysaccharides Composition and Applications
- Lipid Membrane Structure and Behavior
- Spectroscopy and Quantum Chemical Studies
- Genomics and Phylogenetic Studies
- Pneumonia and Respiratory Infections
- Legume Nitrogen Fixing Symbiosis
- Proteoglycans and glycosaminoglycans research
Stockholm University
2016-2025
University of Padua
2020
Center for Biologics Evaluation and Research
1991-2011
Swedish University of Agricultural Sciences
2002-2010
Uppsala University
2010
University of Glasgow
2010
University of Maryland, Baltimore
2010
University of Cape Town
2004-2008
Centre for High Performance Computing
2008
Russian Academy of Sciences
2005
Glycolipids (such as glycoglycerolipids, glycosphingolipids, and glycosylphosphatidylinositol) lipoglycans lipopolysaccharides (LPS), lipooligosaccharides (LOS), mycobacterial lipoarabinomannan, mycoplasma lipoglycans) are typically found on the surface of cell membranes play crucial roles in various cellular functions. Characterizing their structure dynamics at molecular level is essential to understand biological roles, but systematic generation glycolipid lipoglycan structures challenging...
Abstract Streptococcus mutans , the causative agent of human dental caries, expresses a cell wall attached Serotype c- specific Carbohydrate (SCC) that is critical for viability. SCC consists polyrhamnose backbone →3)α-Rha(1 → 2)α-Rha(1→ repeats with glucose (Glc) side-chains and glycerol phosphate (GroP) decorations. This study reveals has one predominant two more minor Glc modifications. The modification, α-Glc, to position 2 3-rhamnose, installed by SccN SccM glycosyltransferases site...
Experimental and theoretical methods have been used to correlate 2JHH 3JHH values within the exocyclic hydroxymethyl groups (CH2OH) of saccharides with specific molecular parameters, new equations are proposed assist in structural interpretation these couplings. depends mainly on C−C torsion angle (ω) as expected, Karplus derived from J-couplings computed density functional theory (DFT) a model aldopyranosyl ring excellent agreement experimental couplings predicted previously reported...
BackgroundThe brucellae are facultative intracellular bacteria that cause brucellosis, one of the major neglected zoonoses. In endemic areas, vaccination is only effective way to control this disease. Brucella melitensis Rev 1 a vaccine against brucellosis sheep and goat caused by B. melitensis, commonest source human infection. However, carries smooth lipopolysaccharide with an O-polysaccharide elicits antibodies interfering in serodiagnosis, problem eradication campaigns. Because this,...
Hydrogen mass repartitioning (HMR) that permits time steps of all-atom molecular dynamics simulation up to 4 fs by increasing the hydrogen atoms has been used in protein and phospholipid bilayers simulations improve conformational sampling. Molecular input generation via CHARMM-GUI now supports HMR for diverse programs. In addition, considering ambiguous pH at bacterial outer membrane surface, different protonation states, either −2e or −1e, phosphate groups lipopolysaccharides (LPS) are...
The increased interest in using monoclonal antibodies (mAbs) as a platform for biopharmaceuticals has led to the need new analytical techniques that can precisely assess physicochemical properties of these large and very complex drugs purpose correctly identifying quality attributes (QA). One QA, higher order structure (HOS), is unique essential establishing consistency biopharmaceutical manufacturing, detecting process-related variations from manufacturing changes comparability between...
The EUROCarbDB project is a design study for technical framework, which provides sophisticated, freely accessible, open-source informatics tools and databases to support glycobiology glycomic research. relational database containing glycan structures, their biological context and, when available, primary interpreted analytical data from high-performance liquid chromatography, mass spectrometry nuclear magnetic resonance experiments. Database content can be accessed via web-based user...
CarbBuilder is a portable software tool for producing three‐dimensional molecular models of carbohydrates from the simple text specification primary structure. can generate wide variety carbohydrate structures, ranging monosaccharides to large, branched polysaccharides. Version 2.0 software, described in this article, supports both mammalian and bacterial origin range substituents derivatization individual sugar residues. This improved version has sophisticated building algorithm explore...
Summary The macromolecular conformation of the constituent polysaccharides in lignocellulosic biomass influences their supramolecular interactions, and therefore function plants performance technical products. flexibility glycosidic linkages from backbone hemicelluloses was studied by evaluating conformational freedom φ ψ dihedral angles using molecular dynamic simulations, additionally selected molecules were correlated with experimental data nuclear magnetic resonance spectroscopy. Three...
Carbohydrate structure can be elucidated or confirmed by using NMR spectroscopy as the prime technique. Prediction of 1H and 13C chemical shifts computational approaches makes this assignment process more efficient program CASPER perform task rapidly. It does so relying on shift data mono-, di-, trisaccharides. In order to improve accuracy quality these predictions we have assigned 30 monosaccharides, 17 disaccharides, 10 trisaccharides one tetrasaccharide; in total 58 compounds. Due...
We provide evidence for CH-based nonconventional hydrogen bonds (H-bonds) 10 Lewis antigens and two of their rhamnose analogues. also characterize the thermodynamics kinetics H-bonds in these molecules present a plausible explanation presence antigens. Using an alternative method to simultaneously fit series temperature-dependent fast exchange nuclear magnetic resonance (NMR) spectra, we determined that H-bonded conformation is favored by ∼1 kcal/mol over non-H-bonded conformation....