TEM β-lactamase confers bacteria with resistance to many antibiotics and rapidly evolves activity against new drugs. However, functional changes are not easily explained by differences in crystal structures. We employ Markov state models to identify hidden conformations and explore their role in determining TEM's specificity. We integrate these models with existing drug-design tools to create a...

In this study, an immunoproteomic approach was used to identify immunodominant proteins from Mycoplasma mycoides subsp. capri isolates. Membrane proteins, extracted through TX-114 phase partitioning, were separated using mono- and two-dimensional electrophoresis and detected by Western blotting with pooled sera from naturally infected goats. A total of 27 immunoreactive spots, corresponding to ...

Results a) Problems: young MSMs & TGs engage in unprotected anal intercourse (80.9%), risk sex with people unknown of their HIV status (66%), drug and tobacco (59.6%) and alcohol consumption (55.3%). All participants perceived that MSM & TGs don’t use condoms consistently. They also experience mental health problems like anxiety and depression (80.9%). b) Associated factors: QDA outlined follow...

Members of a family of catecholate siderophores, called salmochelins, were isolated by reversed-phase HPLC from Salmonella enterica serotype Typhimurium and structurally characterized by Fourier transform ion cyclotron resonance-MSMS and GC-MS. The tentative structure of salmochelin 1 contained two 2,3- dihydroxybenzoylserine moieties bridged by a glucose residue, bound to the serine hydroxyl g...

Markov state models (MSMs) have become one of the preferred methods for analysis and interpretation molecular dynamics (MD) simulations conformational transitions in biopolymers. While there is great variation terms implementation, a well-defined workflow involving multiple steps often adopted. Typically, coordinates are first subjected to dimensionality reduction then clustered into small “mic...

Abstract Leaf compounds may contribute to plant defense against Cronartium rusts. Secondary are either natural or induced in leaves. We studied the variation of leaves six alternate hosts pini and two C. ribicola that represented susceptible resistant species these Extracts from were analyzed using LC-MSMS (liquid chromatography tandem mass spectrometry) compared between same genera identify si...

Abstract We describe an analytical method for the identification, mapping and relative quantitation of glycopeptides from SARS-CoV-2 Spike protein. The may be executed using a LC-TOF mass spectrometer, requires no specialized knowledge glycan analysis exploits differential resolving power reverse phase HPLC. While this separation technique resolves peptides with high efficiency, glycans are res...

The objective of this study was to evaluate the analytical performance of the Abbott ARCHITECT Cyclosporine (CsA) immunoassay in 7 clinical laboratories in comparison to liquid chromatography/tandem mass spectrometry (LC/MS/MS), Abbott TDx, Cobas Integra 800, and the Dade Dimension Xpand immunoassay. The ARCHITECT assay uses a whole blood specimen, a pretreatment step with organic reagents to p...