Statistical analysis of the unique characteristics of secondary structures in proteins.

Protein folding is a complex process influenced by the primary sequence of amino acids. Early studies focused on understanding whether the specificity or the conservation of properties of amino acids was crucial for folding into secondary structures such as α-helices, β-sheets, turns, and coils. However, with the advent of artificial intelligence (AI) and machine learning (ML), the emphasis has shifted towards the precise nature and occurrence of specific amino acids.

Advanced computational approaches to understand protein aggregation.

Protein aggregation is a widespread phenomenon implicated in debilitating diseases like Alzheimer's, Parkinson's, and cataracts, presenting complex hurdles for the field of molecular biology. In this review, we explore the evolving realm of computational methods and bioinformatics tools that have revolutionized our comprehension of protein aggregation. Beginning with a discussion of the multifaceted challenges associated with understanding this process and emphasizing the critical need for precise predictive tools, we highlight how computational techniques have become indispensable for understanding protein aggregation.

Molecular Insights into the Inhibitory Role of α-Crystallin against γD-Crystallin Aggregation.

Cataracts, a major cause of global blindness, contribute significantly to the overall prevalence of blindness. The opacification of the lens, resulting in cataract formation, primarily occurs due to the aggregation of crystallin proteins within the eye lens. Despite the high concentration of these crystallins, they remarkably maintain the lens transparency and refractive index.

Effect of mutations on the folding and stability of D-crystallin protein.

Interprotein interactions between the partially unfolded states of D-crystallin (D-crys) protein are known to cause cataracts. Therefore, understanding the unfolding pathways of native D-crys is extremely crucial to delineate their aggregation mechanism. In this study, we have performed extensive all-atom Molecular Dynamics simulations with explicit solvent to understand the role of the critical residues that drive the stability of the motifs and domains of D-crys in its wild type and mutant forms.

Case Series on DRESS: An Unpredictable Adverse Drug Reaction.

Drug rash with eosinophilia and systemic symptoms syndrome (DRESS) is a potentially life-threatening, drug-induced, multi-organ system reaction. The most frequently involved organ is the liver, followed by the kidneys and lungs. Early detection and diagnosis followed by withdrawal of the offending agent is vital to minimise the associated morbidity and mortality, and a detailed drug history is vital to identify the causative drugs.

Hydrophobicity─A Single Parameter for the Accurate Prediction of Disordered Regions in Proteins.

The prediction of disordered regions in proteins is crucial for understanding their functions, dynamics, and interactions. Intrinsically disordered proteins (IDPs) play a key role in many biological processes like cell signaling, recognition, and regulation, but experimentally determining these regions can be challenging due to their high mobility. To address this challenge, we present an algorithm called HydroDisPred (HDP).

Tuning Electrostatic Interactions To Control Orientation of GFP Protein Adsorption on Silica Surface.

The adsorption of green fluorescent protein (GFP) on silica surfaces has been the subject of growing interest due to its potential applications in various fields, including biotechnology and biomedicine. In this study, we used all-atom molecular dynamics simulations to investigate the charge-driven adsorption of wild type GFP and its supercharged variants on silica surfaces. The results showed that the positively charged variant of GFP adsorbed on the negatively charged silica surface with minimal loss in its secondary structure.

Leflunomide Induced Atypical DRESS: A Case Report and Literature Review.

Drug rash with eosinophilia and systemic symptoms syndrome (DRESS syndrome) is a potentially life-threatening, drug-induced, multi-organ system reaction, the most frequently involved organ is liver, followed by the kidneys and lungs. Early detection and diagnosis followed by withdrawal of the offending agent is vital to minimise the associated morbidity and mortality. A detailed drug history is vital to identify the causative drugs.

Understanding the helical stability of charged peptides.

Cationic helical peptides play a crucial role in applications such as anti-microbial and anticancer activity. The activity of these peptides directly correlates with their helicity. In this study, we have performed extensive all-atom molecular dynamics simulations of 25 Lysine-Leucine co-polypeptide sequences of varying charge density ( ) and patterns.

Understanding asymmetry effects at low grafting density on the self-assembly of polyion grafted nanoparticles.

Grafting of spherical nanoparticles (NPs) with polymeric ligands has been an effective way of controlling the dispersion state of NPs either in the matrix or in solution. Despite the fast evolving synthesis techniques, it is still experimentally difficult to precisely control the position of tethers on the surface of NPs. At low grafting density, due to the surface anisotropy, a wide range of assemblies could be achieved depending on the position of the tethers on the NP surface.

Understanding the stimuli responsive behavior of polyion grafted nanoparticles in the presence of salt and polyelectrolytes.

The design of nanoparticles (NPs) that respond to external stimuli like pH, temperature, and electric or magnetic fields has found immense interest in various fields of nanotechnology like nanomedicine, drug delivery, and cancer therapy. Nanoparticles grafted with polymeric ligands have been extensively used as building blocks in the directed self assembly of nanoparticles. These moieties not only assemble into various morphologies but also respond to a wide range of external stimuli.

Controlled 3D assembly and stimuli responsive behavior of DNA and peptide functionalized gold nanoparticles in solutions.

DNA mediated directed self assembly of gold nanoparticles (AuNPs) has garnered immense interest due to its ability to precisely control supramolecular assemblies. Most experimental works have relied on utilizing the complementary interactions between the DNA strands to drive the self assembly of AuNPs grafted with DNA strands. In the present work, we have leveraged DNA-peptide interactions to tune the self assembly and stimuli responsive behavior of AuNPs grafted with single stranded DNA (ssDNA) and poly-L-lysine (PLL) chains.

Charge-Driven Self-Assembly of Polyelectrolyte-Grafted Nanoparticles in Solutions.

Nanoparticle self-assembly in solution has gained immense interest due to the enhanced optical, chemical, magnetic, and electrical properties which manifest at the macroscale. Material properties in bulk are a direct consequence of the morphology of these nanoparticles in solutions. Precise control on the orientation, spatial arrangement, shape, size, composition, and control over the interactions of individual nanoparticles play a key role in enhancing their properties.

Understanding the role of hydrophobic patches in protein disaggregation.

Protein folding is a very complex process and, so far, the mechanism of folding still intrigues the research community. Despite a large conformational space available (O(10) for a 100 amino acid residue), most proteins fold into their native state within a very short time. While small proteins fold relatively fast (a few microseconds) large globular proteins may take as long as several milliseconds to fold.

Mitochondrial Impairment by Cyanine-Based Small Molecules Induces Apoptosis in Cancer Cells.

Mitochondrion, the powerhouse of the cells, has emerged as one of the unorthodox targets in anticancer therapy due to its involvement in several cellular functions. However, the development of small molecules for selective mitochondrial damage in cancer cells remained limited and less explored. To address this, in our work, we have synthesized a natural product inspired cyanine-based 3-methoxy pyrrole small molecule library by a concise strategy.

Interventional pain management for chronic pain: a survey of physicians in Canada.

Purpose: The use of interventional pain management (IPM) modalities to alleviate chronic pain is increasing despite the lack of high-quality evidence. We undertook this survey to explore patterns, training, and attributes of IPM practice.

Methods: We administered a 32-item survey via seven Canadian physician member organizations, whose members were engaged in the management of chronic pain.

Surface Patterning for Enhanced Protein Stability: Insights from Molecular Simulations.

Reduced activity of enzymes upon immobilization is a major challenge for the industrial use of enzymes. Enzyme-surface interactions and interactions between the immobilized enzymes are thought of as primary reasons for the reduced activity. In the current paper, we study the thermal and structural stability of proteins on a patterned hydrophobic surface in the framework of a hydrophobic-polar lattice model.

Role of confinement, molecular connectivity and flexibility in entropic driven surface segregation of polymer-colloid mixtures.

Relative surface affinity between polymers and colloids is leveraged in many applications like filtration, adhesion, bio-sensing, etc. The surface affinity is governed by both enthalpic (relative interactions between the species and surface) and entropic (excluded volume) effects. Neglecting enthalpic effects, i.

Effect of silver diamine fluoride-potassium iodide and 2% chlorhexidine gluconate cavity cleansers on the bond strength and microleakage of resin-modified glass ionomer cement.

Background: Disinfection of the prepared cavity can be a crucial step in the longevity of restorations. The objective of this study was to compare the antimicrobial action (AMA) of silver diamine fluoride-potassium iodide combination (SDF-KI) with 2% chlorhexidine gluconate (CHX) and to compare the alteration in bond strength and microleakage while using SDF-KI and CHX as cavity cleansers in resin-modified glass ionomer cement (RMGIC) restorations.

Materials And Methods: Samples were grouped as follows: Group 1: Polyacrylic acid (PAA), Group 2: CHX, Group 3: SDF-KI, and Group 4: Distilled water (CTRL).

Hydrazide-Hydrazone Small Molecules as AIEgens: Illuminating Mitochondria in Cancer Cells.

Aggregation-induced-emission luminogens (AIEgens) have gained considerable attention as interesting tools for several biomedical applications, especially for bioimaging due to their brightness and photostability. Numerous AIEgens have been developed for lighting up the subcellular organelles to understand their forms and functions not only healthy but also unhealthy states, such as in cancer cells. However, there is lack of easily synthesizable, biocompatible small molecules for illuminating mitochondria (powerhouses) inside cells.

A Systematic Review of the Utility of the Hoffmann Sign for the Diagnosis of Degenerative Cervical Myelopathy.

Study Design: Systematic review.

Objective: To determine the validity of the Hoffmann sign for the detection of degenerative cervical myelopathy (DCM) for patients presenting with cervical complaints.

Summary Of Background Data: While physical examination maneuvers are often used to diagnose DCM, no previous review has synthesized diagnostic accuracy data.

A "turn-off" red-emitting fluorophore for nanomolar detection of heparin.

A simple fluorophore bearing a diethylaminocoumarin donor and a pyridinium acceptor was synthesized and utilized for the ultra-sensitive detection of heparin. The synthesized dicationic push-pull coumarin derivative emits strongly in the red-region (665 nm) and detects nanomolar concentrations (14.8 nM to 148 nM) of heparin in HEPES buffer and FBS serum solutions.