The crystallation of estrogen-binding protein from Candida albicans

In the past decade scientists have discovered that the pathogenic fungus Candida albicans contains a highly specific estrogen-binding protein (EBP). Since it is known that the use of estrogen-containing compounds causes one to be more prone to infection by this organism, it is hypothesized that this estrogen system may have a role in infection. Understanding the structure and function of EBP would be helpful in developing treatments for infection by C. albicans. One way to approach the structure and function question of any protein is to crystallize the protein and solve its structure using X-ray diffraction. In the past few months, crystal~ of EBP have been produced using the hanging drop method of vapor diffusion. These crystals are yellow and spiky in appearance and grow as clusters within two weeks at 4°C in a solution containing the following: 0.1 M sodium cacodylate, pH 6.5; 0.1 M sodium acetate; and 25% polyethylene glycol (PEG) 8000. Crystals of similar appearance have been grown in less than one week using the technique of microseeding. Because neither the unseeded nor the seeded crystals grow singly, they cannot be subjected to X-ray diffraction in order for structural data to be taken. Since the jagged appearance of these crystals may be due to some microheterogeneity in the T.BP sample used, I believe that the future work on this project include an attempt to grow diffraction-grade EBP crystals with a more homogeneous EBP sample. Additionally, since other conditions have been found in which EBP crystalizes, I believe that these conditions should be explored to determine whether or not sharper crystals can be grown

Fostering Emotion Regulation in Lower Elementary Children through Practical Life Exercises

This action research investigated how integrating practical life exercises and self-regulation lessons could foster emotion regulation in lower elementary children. Twenty First and Second grade students in a public Montessori school participated in this four-week study. Quantitative data tools included students’ feelings self assessments, parent questionnaire, feelings check-in, and tallies of student behavior. Qualitative tools included students’ feeling journals, my observation journal, and children’s practical life reflection. Data analysis indicated that teaching children to identify their feelings and offering choices of calm down activities in the practical life area gave children the tools to recalibrate themselves. By the end of the study, an increasing number of children checked in daily as feeling happy, calm, and focused. Introducing social emotional lessons in September alongside classroom rules, routines, and expectations along with calm down tools equips children with a preventative rather than remedial repertoire of tools to emotionally regulate themselves to be successful learners for life

Investigation of Structural Dynamics of Enzymes and Protonation States of Substrates Using Computational Tools.

This review discusses the use of molecular modeling tools, together with existing experimental findings, to provide a complete atomic-level description of enzyme dynamics and function. We focus on functionally relevant conformational dynamics of enzymes and the protonation states of substrates. The conformational fluctuations of enzymes usually play a crucial role in substrate recognition and catalysis. Protein dynamics can be altered by a tiny change in a molecular system such as different protonation states of various intermediates or by a significant perturbation such as a ligand association. Here we review recent advances in applying atomistic molecular dynamics (MD) simulations to investigate allosteric and network regulation of tryptophan synthase (TRPS) and protonation states of its intermediates and catalysis. In addition, we review studies using quantum mechanics/molecular mechanics (QM/MM) methods to investigate the protonation states of catalytic residues of β-Ketoacyl ACP synthase I (KasA). We also discuss modeling of large-scale protein motions for HIV-1 protease with coarse-grained Brownian dynamics (BD) simulations

A Comparative Study of Grades 9-12 Students’ Perceptions of Teaching Effectiveness in Music Class According to Gender, Years of Enrollment, and Music Instrument Played at The American School of Bangkok, Green Valley Campus

 The aims of this study were to identify Grades 9-12 students’ perceptions on teaching effectiveness of teachers in music class at the American School of Bangkok, Green Valley campus, and to determine whether there was a significant difference among these students’ perceptions according to their gender, years of enrollment, and music instrument played. This study focused on 81 Grades 9-12 students who enrolled music class at the American School of Bangkok, Green Valley campus, during the academic year 2016-2017. The students answered a questionnaire after learning to play and perform an instrument for at least a nine-month period. The research findings revealed that there was no significant difference among students’ perceptions according to all three demographic categories, gender, years of enrollment, and music instrument played, and suggested that Grades 9-12 students, regardless of their demographic differences, perceived teaching effectiveness of music class as very effective. Based on the findings, recommendations for students, teachers, administrators and future researchers were provided.

Mechanism of PhosphoThreonine/Serine Recognition and Specificity for Modular Domains from All-atom Molecular Dynamics

<p>Abstract</p> <p>Background</p> <p>Phosphopeptide-binding domains mediate many vital cellular processes such as signal transduction and protein recognition. We studied three well-known domains important for signal transduction: BRCT repeats, WW domain and forkhead-associated (FHA) domain. The first two recognize both phosphothreonine (pThr) and phosphoserine (pSer) residues, but FHA has high specificity for pThr residues. Here we used molecular dynamics (MD) simulations to reveal how FHA exclusively chooses pThr and how BRCT and WW recognize both pThr/pSer. The work also investigated the energies and thermodynamic information of intermolecular interactions.</p> <p>Results</p> <p>Simulations carried out included wide-type and mutated systems. Through analysis of MD simulations, we found that the conserved His residue defines dual loops feature of the FHA domain, which creates a small cavity reserved for only the methyl group of pThr. These well-organized loop interactions directly response to the pThr binding selectivity, while single loop (the 2nd phosphobinding site of FHA) or in combination with α-helix (BRCT repeats) or β-sheet (WW domain) fail to differentiate pThr/pSer.</p> <p>Conclusions</p> <p>Understanding the domain pre-organizations constructed by conserved residues and the driving force of domain-phosphopeptide recognition provides structural insight into pThr specific binding, which also helps in engineering proteins and designing peptide inhibitors.</p

A Comparison of Agent-Oriented Software Engineering Frameworks and Methodologies

Agent-oriented software engineering (AOSE) covers issues on developing systems with software agents. There are many techniques, mostly agent-oriented and object-oriented, ready to be chosen as building blocks to create agent-based systems. There have been several AOSE methodologies proposed intending to show engineers guidelines on how these elements are constituted in having agents achieve the overall system goals. Although these solutions are promising, most of them are designed in ad-hoc manner without truly obeying software developing life-cycle fully, as well as lacking of examinations on agent-oriented features. To address these issues, we investigated state-of-the-art techniques and AOSE methodologies. By examining them in different respects, we commented on the strength and weakness of them. Toward a formal study, a comparison framework has been set up regarding four aspects, including concepts and properties, notations and modeling techniques, process, and pragmatics. Under these criteria, we conducted the comparison in both overview and detailed level. The comparison helped us with empirical and analytical study, to inspect the issues on how an ideal agent-based system will be formed