Physical Sciences and Mathematics Commons^™

Contributions Of Vibrational Spectroscopy To Virology: A Review, Iqra Chaudhary, Naomi Jackson, Denise Denning, Luke O'Neill, Hugh Byrne

Articles

Vibrational spectroscopic techniques, both infrared absorption and Raman scattering, are high precision, label free analytical techniques which have found applications in fields as diverse as analytical chemistry, pharmacology, forensics and archeometrics and, in recent times, have attracted increasing attention for biomedical applications. As analytical techniques, they have been applied to the characterisation of viruses as early as the 1970s, and, in the context of the coronavirus disease 2019 (COVID-19) pandemic, have been explored in response to the World Health Organisation as novel methodologies to aid in the global efforts to implement and improve rapid screening of viral infection. This review …

Combining Pharmacokinetics And Vibrational Spectroscopy: Mcr-Als Hard-And-Soft Modelling Of Drug Uptake In Vitro Using Tailored Kinetic Constraints, David Perez-Guaita, Guillermo Quintas, Zeineb Farhane, Roma Tauler, Hugh Byrne

Articles

Raman microspectroscopy is a label-free technique which is very suited for the investigation of pharmacokinetics of cellular uptake, mechanisms of interaction, and efficacies of drugs in vitro. However, the complexity of the spectra makes the identification of spectral patterns associated with the drug and subsequent cellular responses difficult. Indeed, multivariate methods that relate spectral features to the inoculation time do not normally take into account the kinetics involved, and important theoretical information which could assist in the elucidation of the relevant spectral signatures is excluded. Here, we propose the integration of kinetic equations in the modelling of drug uptake and …

Monitoring And Modelling The Dynamics Of The Cellular Glycolysis Pathway: A Review And Future Perspectives, Nitin Patil, Hugh Byrne, Orla L. Howe, Paul A. Cahill

Articles

Background

The dynamics of the cellular glycolysis pathway underpin cellular function and dysfunction, and therefore ultimately health, disease, diagnostic and therapeutic strategies. Evolving our understanding of this fundamental process and its dynamics remains critical.

Scope of review

This paper reviews the medical relevance of glycolytic pathway in depth and explores the current state of the art for monitoring and modelling the dynamics of the process. The future perspectives of label free, vibrational microspectroscopic techniques to overcome the limitations of the current approaches are considered.

Major conclusions

Vibrational microspectroscopic techniques can potentially operate in the niche area of limitations of other …

Biofabrication Of Magnetic Nanoparticles And Their Use As Carriers For Pectinase And Xylanase, Shady S. Hassan, Brendan Duffy, Gwilym A. Williams, Amit Jaiswal

Articles

In this study, superparamagnetic iron oxide nanoparticles (MNPs) were synthesized via exposure of fungal cell filtrate from Aspergillus flavus to aqueous iron ions. The extracellular synthesis of MNPs was monitored by UV–Vis spectrophotometry and showed an absorption peak at 310 nm. The morphology of MNPs was found to be flake-like, as confirmed by Field Emission Scanning Electron Microscopy (FESEM), while the average crystallite size was ∼16 nm, as determined by X-ray diffraction (XRD). Energy dispersive X-ray (EDX) analysis was performed to confirm the presence of elemental Fe in the sample. Pectinase and xylanase were covalently immobilized on MNPs with efficiencies …

Sure 2022 Undergraduate Science Conference Booklet, Sure Network

Group Reports

The SURE 2022 Conference was the fifth series of Science Undergraduate Research Experience (SURE) Conferences. The conference took place on Friday, 14th October, 2022, co-hosted by SETU – Carlow campus and TU Dublin as a live Face2Face event running simultaneously in both venues on the same day. Students from throughout Ireland completing their Final Year Project in a science discipline in 2021-22 presented their undergraduate research work to this conference.

The aims of each of the SURE conferences are to:

• Provide current students with an opportunity to gain an understanding of the work which has been undertaken by recent graduates, …

Advancing Competency In Managing Risk And Knowledge: Steps Toward Operationalisation Of The Risk-Knowledge Infinity Cycle (Rki Cycle) - Part 1: Improving Effectiveness Of Risk-Based Decision Making (Rbdm), Martin Lipa, Paige Kane, Anne Green

Articles

To date, literature on the Risk-Knowledge Infinity Cycle (RKI Cycle) has mainly been theoretical. This paper series intent is to focus on the operationalisation of the RKI Cycle by describing a series of steps – the “How to” – for RKI Cycle deployment, to help move the RKI Cycle from theory to practice. The first paper in this series focuses on how the RKI Cycle can support effective Risk-Based Decision Making (RBDM).

Neuromatch Academy: A 3-Week, Online Summer School In Computational Neuroscience, Bernard Marius 'T Hart, Titipat Achakulvisut, Ayoade Adeyemi, Athena Akrami, Bradly Alicea, Alicia Alonso-Andres, Diego Alzate-Correa, Arash Ash, Jesus J. Ballesteros, Aishwarya Balwani, Eleanor Batty, Ulrik Beierholm, Ari S. Benjamin, Upinder Bhalla, Gunnar Blohm, Joachim C. H. Blohm, Kathryn Bonnen, Marco Brigham, Bingni W. Brunton, John Butler, Brandon Caie, N Alex Cayco Gajic, Sharbatanu Chatterjee, Spyridon Chavlis, Ruidong Chen, You Cheng, H. M. Chow, Raymond Chua, Yunwei Dai, Isaac David, Eric E. J. Dewitt, Julien Denis, Alish Dipani, Arianna Dorschel, Jan Drugowitsch, Kshitij Dwivedi, Sean Escola, Haoxue Fan, Roozbeh Farhoodi, Yicheng Fei, Pierre-Étienne Fiquet, Lorenzo Fontolan, Jeremy Forest, Yuki Fujishima, Byron V. Galbraith, Mario Galdamez, Richard Gao, Julijana Gjorgjieva, Alexander Gonzalez, Qinglong Gu, Yueqi Guo, Ziyi Guo, Pankaj K. Gupta, Busra Tugce Gurbuz, Caroline Haimerl, Jordan B. Harrod, Alexandre Hyafil, Martin Irani, Daniel Jacobson, Michelle Johnson, Ilenna Simone Jones, Gili Karni, Robert E. Kass, Hyosub Edward Kim, Andreas M. Kist, Randal Koene, Konrad Kording, Matthew R. Krause, Arvind Kumar, Norma K. Kühn, Ray Lc, Matthew L. Laporte, Junseok Lee, Songting Li, Sikun Lin, Yang Lin, Shuze Liu, Tony Liu, Jesse A. Livezey, Linlin Lu, Jakob H. Macke, Kelly Mahaffy, A. Lucas Martins, Nicolás Martorell, Manolo Martínez, Marcelo G. Mattar, Jorge Aurelio Menendez, Kenneth D. Miller, Patrick J. Mineault, Nosratullah Mohammadi, Yalda Mohsenzadeh, Elenor Morgenroth, Taha Morshedzadeh, Alice Claudia Mosberger, Madhuvanthi Muliya, Marieke Mur, John D. Murray, Yashas Nd, Richard Naud, Prakriti Nayak, Anushka Oak, Itzel Olivos Castillo, Seyedmehdi Orouji, Jorge Otero-Millan, Marius Pachitariu, Biraj Pandey, Renato Paredes, Jesse Parent, Il Memming Park, Megan A. K. Peters, Xaq Pitkow, Panayiota Poirazi, Haroon Popal, Sandhya Prabhakaran, Tian Qiu, Srinidhi Ragunathan, Raul Rodriguez-Cruces, David Rolnick, Ashish Kumar Sahoo, Saeed Salehinajafabadi, Cristina Savin, Shreya Saxena, Paul Schrater, Karen Schroeder, Alice C. Schwarze, Madineh Sedigh-Sarvestani, K. Yuvaraj Sekhar, Reza Shadmehr, Maryam M. Shanechi, Siddhant Sharma, Eric Shea-Brown, Krishna V. Shenoy, Carolina L. Shimabukuro, Sergey Shuvaev, Man Ching Alison Sin, Maurice Smith, Nicholas A. Steinmetz, Karolina Stosio, Elizabeth Straley, Gabrielle Strandquist, Carsen Stringer, Rimjhim Tomar, Ngoc Tran, Sofia Triantafillou, Lawrence Udeigwe, Davide Valeriani, Vincent Valton, Maryam Vaziri-Pashkam, Peter Vincent, Gal Vishne, Pascal Wallisch, Peiyuan Wang, Claire Ward, Michael Waskom, Kunlin Wei, Anqi Wu, Zhengwei Wu, Brad Wyble, Lei Zhang, Daniel Zysman, Federico D’Oleire Uquillas, Tara Van Viegen

Articles

No abstract provided.

Copper(Ii) And Silver(I)‑1,10‑Phenanthroline‑5,6‑Dione Complexes Interact With Double‑Stranded Dna: Further Evidence Of Their Apparent Multi‑Modal Activity Towards Pseudomonas Aeruginosa, Anna Clara Milesi Galdino, Lívia Viganor, Matheus Mendonça Pereira, Michael Devereux, Malachy Mccann, Marta Helena Branquinha, Zara Molphy, Sinéad O'Carroll, Conor Bain, Georgia Menounou, Andrew Kellett, André Luis Souza Dos Santos

Articles

Tackling microbial resistance requires continuous efforts for the development of new molecules with novel mechanisms of action and potent antimicrobial activity. Our group has previously identified metal-based compounds, [Ag(1,10-phenanthroline-5,6-dione)2]ClO4 (Ag-phendione) and [Cu(1,10-phenanthroline-5,6-dione)3](ClO4)2.4H2O (Cu-phendione), with efficient antimicrobial action against multidrug-resistant species. Herein, we investigated the ability of Ag-phendione and Cu-phendione to bind with double-stranded DNA using a combination of in silico and in vitro approaches. Molecular docking revealed that both phendione derivatives can interact with the DNA by hydrogen bonding, hydrophobic and electrostatic interactions. Cu-phendione exhibited the highest binding affinity to either major (− 7.9 kcal/mol) or minor (− 7.2 kcal/mol) …