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Glycoprotein Analysis

Glycoproteins are central to numerous cellular processes and are among the most structurally complex biomolecules in nature. This unique complexity stems from variability in complex oligosaccharides that are located throughout the protein, a feature that is profoundly important for regulating biomolecular interactions but also makes glycoproteins difficult to study. As such, glycoprotein analysis entails a range of techniques to bridge the knowledge gap between glycoprotein structure and biological function. This book serves as an authoritative guide to glycoprotein analysis, written by internationally recognised experts in the field and discussed in the context of real-world applications across the life sciences. It provides a wide-ranging assessment of the modern methods, from those used to characterise glycoprotein structure, to approaches proficient in uncovering the molecular mechanisms by which they function as well as those capable of measuring structural dynamics and macromolecular assembly. These methods differ to a large extent and include mass spectrometry, glycan/lectin arrays, nuclear magnetic resonance, infrared spectroscopy, scanning probe microscopy and high-performance liquid chromatography. Equally important are computational techniques, including molecular dynamics and bioinformatics, which are also covered and discussed in the wider context of glycoprotein analysis. Glycobiology is indeed a rapidly growing field and the development of advanced tools for glycoproteins analysis has been enabled by researchers from different backgrounds working to overcome long-standing analytical challenges and biological questions involving glycosylation. This book is intended to aid academic and professional researchers at various levels of their career to gain a deeper appreciation of cutting-edge methods in glycoprotein analysis and their applications in biomolecular research, biotherapeutic development, structural biology and biophysical chemistry.

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Parameterization of a Fluctuating Charge Model for Complexes Containing 3d Transition Metals.

Metalloproteins widely exist in biology, playing pivotal roles in diverse life processes. Meanwhile, molecular dynamics (MD) simulations based on classical force fields has emerged as an important tool in scientific research. Partial charges are critical parameters within classical force fields and usually derived from quantum mechanical (QM) calculations. However, QM calculations are often time-consuming and prone to basis set dependence. Alternatively, fluctuating charge (FQ) models offer another avenue for partial charge derivation, which has significant speed advantages and can be used for large-scale screening. Building upon our previous work, which introduced an FQ model for zinc-containing complexes, herein we extend this model to include additional 3d transition metals which are important to the life sciences, namely chromium, manganese, iron, cobalt, and nickel. Employing CM5 charges as target for parametrization, our FQ model accurately reproduces partial charges for 3d metal complexes featuring biologically relevant ligands. Furthermore, by using atomic charges derived by our FQ model, MD simulations have been performed. These charges showed excellent performance in simulating proteomic metal sites housing multiple metal ions, specifically, a metalloprotein containing an iron-sulfur cluster and another containing a dimanganese metal site, showcasing comparable performance to those of RESP charges. We anticipate that our study can accelerate the parametrization of atomic charges for metalloproteins featuring 3d transition metals, thereby facilitating simulations of relevant systems.

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A Scientific Program in Regenerative Engineering (ASPIRE): A Prospective Program Aimed at Tackling Health Disparities in the USA.

The continued low numbers of Blacks in STEMM (Science, Technology, Engineering, Mathematics, and Medicine) represent an American crisis that threatens growing awareness and efforts to effectively address health disparities that affect the Black population. Regenerative engineering is an emerging STEMM field that seeks to combine principles from engineering, life sciences, physics, and medicine to develop new technologies for repairing and regenerating damaged tissues and organs. We believe that regenerative engineering has the potential to address some of the root causes of health disparities by developing new approaches that are more accessible and affordable, particularly for low-income communities and people living in rural areas. We have developed a new education program targeting to K-12 groups "A Scientific Program in Regenerative Engineering (ASPIRE)" that supports the mentoring and education of Black K-12 students to enter successfully and thrive as professionals in STEMM particularly in the area of regenerative engineering. We have been collaborating with several public-school systems in Connecticut, especially among the regions with health disparities to implement the program. We believe our new educational K-12 program would serve as a vehicle to reduce health disparities in the region.

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Utilizing Fuzzy TOPSIS for Sustainable Development: A Case Study in Selection of Airport Location

In recent years, most countries have seen an increased focus on the concept of sustainable development in decisions regarding transportation infrastructure where environmental and social criteria are considered on par with economic criteria. This is particularly important in decisions to build new airports or expand their capacity with long-term implications for economic growth, welfare and regional development processes.The fuzzy TOPSIS (Technique for Order Preference by Similarity to the Ideal Solution) method is distinguished from the other methods of the multi-criteria decision making (MCDM) in that it arranges the available alternatives according to their proximity to the optimal solution. In real life, alternatives are observed in relation to the criteria and the weights of the criteria with fuzzy numbers. In such a case, the crisp traditional methods that solve the problems of multi-criteria decision-making are considered to be of weak effectiveness. The aim of this paper is to solve the problem of choosing a new hub airport for a hypothetical European Union airline, by applying the fuzzy TOPSIS method based on alpha level sets as it was applied to a selected data set from the available alternatives (candidate airports). The criteria for expressing the performance of these airports are defined and evaluated by the decision maker. The objective of the practical application of the studied problem is to show the usefulness of the method used as a tool that helps the decision maker to determine which of the alternatives represents the best solution in an environment with fuzzy data.

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