Andrew Abell

Front Cover: Rational Design of a 310‐Helical PIP‐Box Mimetic Targeting PCNA, the Human Sliding Clamp (Chem. Eur. J. 44/2018)

Publisher: Wiley

Date: 19-07-2018

DOI: 10.1002/CHEM.201803279

Mechanically Induced Switching between Two Discrete Conductance States: A Potential Single-Molecule Variable Resistor

Publisher: American Chemical Society (ACS)

Date: 19-11-2021

DOI: 10.1021/ACSAMI.1C12151

Discovery of an ʟ-amino acid ligase implicated in Staphylococcal sulfur amino acid metabolism

Publisher: Elsevier BV

Date: 10-2022

DOI: 10.1016/J.JBC.2022.102392

Unique Metal Cation Recognition via Crown Ether-Derivatized Oligo(phenyleneethynylene) Molecular Junction

Publisher: American Chemical Society (ACS)

Date: 04-2020

DOI: 10.1021/ACS.JPCC.9B11908

Engineering of Solid-State Random Lasing in Nanoporous Anodic Alumina Photonic Crystals

Publisher: American Chemical Society (ACS)

Date: 10-08-2022

DOI: 10.1021/ACSANM.2C02574

Inhibition of Mycobacterium tuberculosis Dethiobiotin Synthase (MtDTBS): Toward Next-Generation Antituberculosis Agents

Publisher: American Chemical Society (ACS)

Date: 17-09-2021

DOI: 10.1021/ACSCHEMBIO.1C00491

Halogenation of Biotin Protein Ligase Inhibitors Improves Whole Cell Activity against Staphylococcus aureus

Publisher: American Chemical Society (ACS)

Date: 16-11-2018

DOI: 10.1021/ACSINFECDIS.7B00134

Abstract: We report the synthesis and evaluation of 5-halogenated-1,2,3-triazoles as inhibitors of biotin protein ligase from Staphylococcus aureus. The halogenated compounds exhibit significantly improved antibacterial activity over their nonhalogenated counterparts. Importantly, the 5-fluoro-1,2,3-triazole compound 4c displays antibacterial activity against S. aureus ATCC49775 with a minimum inhibitory concentration (MIC) of 8 μg/mL.

Engineering of Surface Chemistry for Enhanced Sensitivity in Nanoporous Interferometric Sensing Platforms

Publisher: American Chemical Society (ACS)

Date: 06-03-2017

DOI: 10.1021/ACSAMI.7B01116

Abstract: We explore new approaches to engineering the surface chemistry of interferometric sensing platforms based on nanoporous anodic alumina (NAA) and reflectometric interference spectroscopy (RIfS). Two surface engineering strategies are presented, namely (i) selective chemical functionalization of the inner surface of NAA pores with amine-terminated thiol molecules and (ii) selective chemical functionalization of the top surface of NAA with dithiol molecules. The strong molecular interaction of Au

Structure–Activity Relationship of 2,4-Dichloro-N-(3,5-dichloro-4-(quinolin-3-yloxy)phenyl)benzenesulfonamide (INT131) Analogs for PPARγ-Targeted Antidiabetics

Publisher: American Chemical Society (ACS)

Date: 22-05-2017

DOI: 10.1021/ACS.JMEDCHEM.6B01727

Light-Confining Nanoporous Anodic Alumina Microcavities by Apodized Stepwise Pulse Anodization

Publisher: American Chemical Society (ACS)

Date: 28-08-2018

DOI: 10.1021/ACSANM.8B00494

Structural tailoring of nanoporous anodic alumina optical microcavities for enhanced resonant recirculation of light

Publisher: Royal Society of Chemistry (RSC)

Date: 2018

DOI: 10.1039/C8NR04263B

Abstract: A study about the structural engineering of high quality nanoporous anodic alumina optical microcavities (NAA-μCVs) fabricated by rationally designed anodisation strategies to enhance the light-confining capabilities of these photonic crystal (PC) structures is presented.

Rational Design of a 3₁₀‐Helical PIP‐Box Mimetic Targeting PCNA, the Human Sliding Clamp

Publisher: Wiley

Date: 19-07-2018

DOI: 10.1002/CHEM.201801734

Abstract: The human sliding cl (PCNA) controls access to DNA for many proteins involved in DNA replication and repair. Proteins are recruited to the PCNA surface by means of a short, conserved peptide motif known as the PCNA-interacting protein box (PIP-box). Inhibitors of these essential protein-protein interactions may be useful as cancer therapeutics by disrupting DNA replication and repair in these highly proliferative cells. PIP-box peptide mimetics have been identified as a potentially rapid route to potent PCNA inhibitors. Here we describe the rational design and synthesis of the first PCNA peptidomimetic ligands, based on the high affinity PIP-box sequence from the natural PCNA inhibitor p21. These mimetics incorporate covalent i,i+4 side-chain/side-chain lactam linkages of different lengths, designed to constrain the peptides into the 3

Exploring Photoswitchable Binding Interactions with Small‐Molecule‐ and Peptide‐Based Inhibitors of Trypsin

Publisher: Wiley

Date: 04-09-2023

DOI: 10.1002/CBIC.202300453

Abstract: The ability to photochemically activate a drug, both when and where needed, requires optimisation of the difference in biological activity between each isomeric state. As a step to this goal, we report small molecule and peptide‐based inhibitors of the same protease – trypsin – to better understand how photoswitchable drugs interact with their biological target. The best peptidic inhibitor displayed a ‐fold difference in inhibitory activity between isomeric states, whereas the best small molecule inhibitor only showed a 3.4‐fold difference. Docking and molecular modelling suggests this result is due to a large change in 3D structure in the key binding residues of the peptidic inhibitor upon isomerisation, which is not observed for the small molecule inhibitor. Hence, we demonstrate that significant structural changes in critical binding motifs upon irradiation are essential for maximising the difference in biological activity between isomeric states. This is an important consideration in the design of future photoswitchable drugs for clinical applications.

Understanding the Intrinsic Rectification Properties of Nanoporous Anodic Alumina by Selective Chemical Etching

Publisher: American Chemical Society (ACS)

Date: 18-09-2023

DOI: 10.1021/ACSAMI.3C08745

A controllable mechanistic transition of charge transfer in helical peptides: from hopping to superexchange

Publisher: Royal Society of Chemistry (RSC)

Date: 2017

DOI: 10.1039/C7RA07753J

Abstract: A controllable mechanistic transition of charge transfer in helical peptides is demonstrated as a direct result of side-bridge gating.

Approaches to Introduce Helical Structure in Cysteine‐Containing Peptides with a Bimane Group

Publisher: Wiley

Date: 23-06-2021

DOI: 10.1002/CBIC.202100241

Abstract: An i−i +4 or i−i +3 bimane‐containing linker was introduced into a peptide known to target Estrogen Receptor alpha (ERα), in order to stabilise an α‐helical geometry. These macrocycles were studied by CD and NMR to reveal the i−i +4 constrained peptide adopts a 3 10 ‐helical structure in solution, and an α‐helical conformation on interaction with the ERα coactivator recruitment surface in silico . An acyclic bimane‐modified peptide is also helical, when it includes a tryptophan or tyrosine residue but is significantly less helical with a phenylalanine or alanine residue, which indicates such a bimane modification influences peptide structure in a sequence dependent manner. The fluorescence intensity of the bimane appears influenced by peptide conformation, where helical peptides displayed a fluorescence increase when TFE was added to phosphate buffer, compared to a decrease for less helical peptides. This study presents the bimane as a useful modification to influence peptide structure as an acyclic peptide modification, or as a side‐chain constraint to give a macrocycle.

Role of Spectral Resonance Features and Surface Chemistry in the Optical Sensitivity of Light-Confining Nanoporous Photonic Crystals

Publisher: American Chemical Society (ACS)

Date: 18-03-2021

DOI: 10.1021/ACSAMI.1C00914

Lasing from Narrow Bandwidth Light-Emitting One-Dimensional Nanoporous Photonic Crystals

Publisher: American Chemical Society (ACS)

Date: 09-03-2022

DOI: 10.1021/ACSPHOTONICS.1C01689

A Silk‐Based Functionalization Architecture for Single Fiber Imaging and Sensing

Publisher: Wiley

Date: 29-03-2022

DOI: 10.1002/ADFM.202010713

Abstract: A new fiber functionalization architecture for single‐fiber imaging and sensing is presented. 5(6)Carboxy‐seminaphthorhodafluor‐2 (a fluorescent pH sensor) is attached to a silk‐binding peptide and the complex added to aqueous silk fibroin protein. These bind with a K d of 36 µM as determined by a fluorescence polarization assay. The fiber is dip‐coated into the silk and peptide mixture, and scanning electron microscopy images reveal a uniform silk coating on the fiber tip. The coating is stable to repeated washes and does not affect the imaging light emitted from the fiber, which allows concurrent optical coherence tomography (OCT) imaging and pH sensing. Oocytes are metabolically stimulated with CoCl 2 to produce lactic acid, and a pH reduction of 0.04 is measured using the probe. The distance between fiber tip and oocyte is monitored by simultaneous OCT acquisitions to precisely position the probe. Lastly, OCT imaging of an ovary revealed the presence/absence of an oocyte within a follicle, an important step toward improving patient outcomes during in vitro fertilization, by limiting the number of invasive follicle punctures required. These results demonstrate the utility of this new coating to enable simultaneous OCT imaging and sensing, which provides significant insight into complex biological systems.

Backbone-Constrained Peptides: Temperature and Secondary Structure Affect Solid-State Electron Transport.

Publisher: American Chemical Society (ACS)

Date: 28-11-2019

DOI: 10.1021/ACS.JPCB.9B07753

Abstract: The primary sequence and secondary structure of a peptide are crucial to charge migration, not only in solution (electron transfer, ET), but also in the solid-state (electron transport, ETp). Hence, understanding the charge migration mechanisms is fundamental to the development of biomolecular devices and sensors. We report studies on four Aib-containing helical peptide analogues: two acyclic linear peptides with one and two electron-rich alkene-based side chains, respectively, and two peptides that are further rigidified into a macrocycle by a side bridge constraint, containing one or no alkene. ETp was investigated across Au eptide/Au junctions, between 80 and 340 K in combination with the molecular dynamic (MD) simulations. The results reveal that the helical structure of the peptide and electron-rich side chain both facilitate the ETp. As temperature increases, the loss of helical structure, change of monolayer tilt angle, and increase of thermally activated fluctuations affect the conductance of peptides. Specifically, room temperature conductance across the peptide monolayers correlates well with previously observed ET rate constants, where an interplay between backbone rigidity and electron-rich side chains was revealed. Our findings provide new means to manipulate electronic transport across solid-state peptide junctions.

Control of Molecular Recognition via Modulation of the Nanoenvironment

Publisher: American Chemical Society (ACS)

Date: 15-11-2018

DOI: 10.1021/ACSAMI.8B16161

Abstract: Many biological processes are driven by the interaction of a host with a guest molecule. We show such interactions can be modulated by carefully defining the local molecular environment to give a specific chemical outcome. Particularly, the selectivity of a host toward two different ions (Ca

Unravelling Structural Dynamics within a Photoswitchable Single Peptide: A Step Towards Multimodal Bioinspired Nanodevices

Publisher: Wiley

Date: 12-10-2020

DOI: 10.1002/ANIE.202004701

Abstract: The majority of the protein structures have been elucidated under equilibrium conditions. The aim herein is to provide a better understanding of the dynamic behavior inherent to proteins by fabricating a label‐free nanodevice comprising a single‐peptide junction to measure real‐time conductance, from which their structural dynamic behavior can be inferred. This device contains an azobenzene photoswitch for interconversion between a well‐defined cis , and disordered trans isomer. Real‐time conductance measurements revealed three distinct states for each isomer, with molecular dynamics simulations showing each state corresponds to a specific range of hydrogen bond lengths within the cis isomer, and specific dihedral angles in the trans isomer. These insights into the structural dynamic behavior of peptides may rationally extend to proteins. Also demonstrated is the capacity to modulate conductance which advances the design and development of bioinspired electronic nanodevices.

Photopharmacological Control of Cyclic Antimicrobial Peptides

Publisher: Wiley

Date: 15-11-2018

DOI: 10.1002/CBIC.201800618

Abstract: Gramicidin S is a naturally occurring antimicrobial cyclic peptide. Herein, we present a series of cyclic peptides based on gramicidin S that contain an azobenzene photoswitch to reversibly control secondary structure and, hence, antimicrobial activity.

Engineering the Slow Photon Effect in Photoactive Nanoporous Anodic Alumina Gradient-Index Filters for Photocatalysis

Publisher: American Chemical Society (ACS)

Date: 25-06-2018

DOI: 10.1021/ACSAMI.8B05946

Abstract: In this study, we explore for the first time the capabilities of nanoporous anodic alumina gradient-index filters (NAA-GIFs) functionalized with titanium dioxide (TiO

Mechanistic insight into the non-hydrolytic sol–gel process of tellurite glass films to attain a high transmission

Publisher: Royal Society of Chemistry (RSC)

Date: 2020

DOI: 10.1039/C9RA10731B

Abstract: This work develops a high-transparency amorphous film with a wide transmission window and high refractive index, which can potentially meet the strong demand of integrating functional nanoparticles for the next-generation hybrid optoelectronic films.

Rational Management of Photons for Enhanced Photocatalysis in Structurally-Colored Nanoporous Anodic Alumina Photonic Crystals

Publisher: American Chemical Society (ACS)

Date: 08-01-2019

DOI: 10.1021/ACSAEM.8B01721

Structural Engineering of the Barrier Oxide Layer of Nanoporous Anodic Alumina for Iontronic Sensing

Publisher: American Chemical Society (ACS)

Date: 29-04-2022

DOI: 10.1021/ACSAMI.2C02369

Abstract: The hemispherical barrier oxide layer (BOL) closing the bottom tips of hexagonally distributed arrays of cylindrical nanochannels in nanoporous anodic alumina (NAA) membranes is structurally engineered by anodizing aluminum substrates in three distinct acid electrolytes at their corresponding self-ordering anodizing potentials. These nanochannels display a characteristic ionic current rectification (ICR) signal between high and low ionic conduction states, which is determined by the thickness and chemical composition of the BOL and the pH of the ionic electrolyte solution. The rectification efficiency of the ionic current associated with the flow of ions across the anodic BOL increases with its thickness, under optimal pH conditions. The inner surface of the nanopores in NAA membranes was chemically modified with thiol-terminated functional molecules. The resultant NAA-based iontronic system provides a model platform to selectively detect gold metal ions (Au

Targeting PCNA with Peptide Mimetics for Therapeutic Purposes

Publisher: Wiley

Date: 15-10-2020

DOI: 10.1002/CBIC.201900275

Abstract: Proliferating cell nuclear antigen (PCNA) is an excellent inhibition target to shut down highly proliferative cells and thereby develop a broad-spectrum cancer therapeutic. It interacts with a wide variety of proteins through a conserved motif referred to as the PCNA-interacting protein (PIP) box. There is large sequence ersity between high-affinity PCNA binding partners, but with conservation of the binding structure-a well-defined 3

Sulfonamide-Based Inhibitors of Biotin Protein Ligase as New Antibiotic Leads

Publisher: American Chemical Society (ACS)

Date: 13-08-2019

DOI: 10.1021/ACSCHEMBIO.9B00463

Abstract: Here, we report the design, synthesis, and evaluation of a series of inhibitors of

A biophotonic approach to measure pH in small volumes in vitro: Quantifiable differences in metabolic flux around the cumulus‐oocyte‐complex (COC)

Publisher: Wiley

Date: 04-12-2019

DOI: 10.1002/JBIO.201960038

Abstract: Unfertilised eggs (oocytes) release chemical biomarkers into the medium surrounding them. This provides an opportunity to monitor cell health and development during assisted reproductive processes if detected in a non-invasive manner. Here we report the measurement of pH using an optical fibre probe, OFP1, in 5 μL drops of culture medium containing single mouse cumulus oocyte complexes (COCs). This allowed for the detection of statistically significant differences in pH between COCs in culture medium with no additives and those incubated with either a chemical (cobalt chloride) or hormonal treatment (follicle stimulating hormone) both of which serve to induce the release of lactic acid into the medium immediately surrounding the COC. Importantly, OFP1 was shown to be cell-safe with no inherent cell toxicity or light-induced phototoxicity indicated by negative DNA damage staining. Pre-measurement photobleaching of the probe reduced fluorescence signal variability, providing improved measurement precision (0.01-0.05 pH units) compared to previous studies. This optical technology presents a promising platform for the measurement of pH and the detection of other extracellular biomarkers to assess cell health during assisted reproduction.

Drug targeting to sites of oxidative stress using the Baeyer-Villiger reaction

Publisher: Cold Spring Harbor Laboratory

Date: 06-09-2021

DOI: 10.1101/2021.09.03.458872

Abstract: The antioxidant nuclear factor erythroid 2-related factor 2 (Nrf2) is a desirable therapeutic target for a broad range of pathologies, including chronic diseases of the lung and liver, and autoimmune, neurodegenerative, and cardiovascular disorders. However, current Nrf2 activators are limited by unwanted effects due to non-specificity, and systemic distribution and action. Here we report that a 1,2-dicarbonyl moiety masks the electrophilic reactivity of the Nrf2 activator monomethyl fumarate (MMF), otherwise responsible for its non-specific effects. The 1,2-dicarbonyl compound is highly susceptible to Baeyer-Villiger oxidation, with generation of MMF specifically on exposure to pathological levels of hydrogen peroxide or peroxynitrite. Oral treatment with the MMF generating 1,2-dicarbonyl compound reversed chronic neuropathic and osteoarthritis pain in mice, and selectively activated Nrf2 at sites of oxidative stress. This 1,2-dicarbonyl platform may be used to treat additional disorders of oxidative stress, and to selectively target other therapeutics to sites of redox imbalance.

Protein detection enabled using functionalised silk-binding peptides on a silk-coated optical fibre

Publisher: Royal Society of Chemistry (RSC)

Date: 2021

DOI: 10.1039/D1RA03584C

Abstract: We report a new approach to functionalise optical fibres to enable protein sensing, which controls the sensor molecule location either within the fibre tip coating or isolated to its exterior. This control dictates suitability for protein sensing.

Nanoporous photonic crystals with tailored surface chemistry for ionic copper sensing

Publisher: Royal Society of Chemistry (RSC)

Date: 2019

DOI: 10.1039/C9TC04438H

Abstract: We present a study on optical and surface chemistry engineering of nanoporous photonic crystals as sensing platforms for detection of ionic copper.

Harnessing Slow Light in Optoelectronically Engineered Nanoporous Photonic Crystals for Visible Light-Enhanced Photocatalysis

Publisher: American Chemical Society (ACS)

Date: 11-10-2021

DOI: 10.1021/ACSCATAL.1C03320

Designing Fluorescent Nuclear Permeable Peptidomimetics to Target Proliferating Cell Nuclear Antigen

Publisher: American Chemical Society (ACS)

Date: 25-07-2023

DOI: 10.1021/ACS.JMEDCHEM.3C00471

Real-Time Binding Monitoring between Human Blood Proteins and Heavy Metal Ions in Nanoporous Anodic Alumina Photonic Crystals

Publisher: American Chemical Society (ACS)

Date: 25-07-2018

DOI: 10.1021/ACS.ANALCHEM.8B02732

Abstract: This study reports on the real-time binding assessment between heavy metal ions and blood proteins immobilized onto nanoporous anodic alumina photonic crystals (NAA-PCs) by reflectometric interference spectroscopy (RIfS). The surface of NAA-PCs is chemically functionalized with γ-globulin (GG), transferrin (TFN), and serum albumin (HSA), the major proteins present in human blood plasma. Protein-modified NAA-PC platforms are exposed to analytical solutions of mercury ions of different concentrations. Dynamic changes in the effective optical thickness of protein-modified NAA-PCs in response to heavy metal ions are assessed in real time to evaluate the binding kinetics, affinity, and mechanism. Protein molecules undergo conformational changes upon exposure to mercury ions, with HSA exhibiting the strongest affinity. The combination of protein-modified NAA-PCs with RIfS allows real-time monitoring of protein-heavy metal ions interactions under dynamic flow conditions. This system is capable of detecting dynamic conformational changes in these proteins upon exposure to heavy metal ions. Our results provide new insights into these binding events, which could enable new methodologies to study the toxicity of heavy metal ions and other biomolecular interactions.

Light-confining semiconductor nanoporous anodic alumina optical microcavities for photocatalysis

Publisher: Royal Society of Chemistry (RSC)

Date: 2019

DOI: 10.1039/C9TA08585H

Abstract: An extensive study on the structural engineering of titanium dioxide-functionalized nanoporous anodic alumina optical microcavities (TiO 2 -NAA-μQVs) for photocatalysis enhanced by light confinement is presented.

Fortuitousin vitrocompound degradation produces a tractable hit againstMycobacterium tuberculosisdethiobiotin synthetase: a cautionary tale of what goes in, does not always come out

Publisher: Cold Spring Harbor Laboratory

Date: 27-03-2023

DOI: 10.1101/2023.03.26.531482

Abstract: We previously reported potent ligands and inhibitors of Mycobacterium tuberculosis dethiobiotin synthetase ( Mt DTBS), a promising target for antituberculosis drug development (Schumann et al., ACS Chem Biol. 2021, 16, 2339-2347) here the unconventional origin of the fragment compound they were derived from is described for the first time. Compound 1 (9b-hydroxy-6b,7,8,9,9a,9b-hexahydrocyclopenta[3,4]cyclobuta[1,2-c]chromen-6(6a H )-one), identified by in silico fragment screen, was subsequently shown by surface plasmon resonance to have dose-responsive binding ( K D 0.6 mM). Clear electron density was revealed in the DAPA substrate binding pocket, when 1 was soaked into Mt DTBS crystals, but the density was inconsistent with the structure of 1 . Here we show the lactone of 1 hydrolyses to carboxylic acid 2 under basic conditions, including those of the crystallography soak, with subsequent ring-opening of the component cyclobutane ring to form cyclopentylacetic acid 3 . Crystals soaked directly with authentic 3 produced electron density that matched that of crystals soaked with presumed 1 , confirming the identity of the bound ligand. The synthetic utility of fortuitously formed 3 enabled subsequent compound development into nanomolar inhibitors. Our findings represent an ex le of chemical modification within drug discovery assays and demonstrate the value of high-resolution structural data in the fragment hit validation process. A molecule flagged in an in silico docking screen against Mt DTBS, was inadvertently hydrolysed in the crystal conditions used for hit validation. The resulting fragment-sized molecule bound to the DAPA substrate binding pocket of the target enzyme ( Mt DTBS) with millimolar affinity, as measured by surface plasmon resonance, but was later modified to a highly potent (nanomolar) ligand and promising lead for the development of novel tuberculosis treatments.

Fortuitous In Vitro Compound Degradation Produces a Tractable Hit against Mycobacterium tuberculosis Dethiobiotin Synthetase: A Cautionary Tale of What Goes In Does Not Always Come Out

Publisher: American Chemical Society (ACS)

Date: 31-08-2023

DOI: 10.1021/ACSCHEMBIO.3C00215

Tailor-engineered plasmonic single-lattices: harnessing localized surface plasmon resonances for visible-NIR light-enhanced photocatalysis

Publisher: Royal Society of Chemistry (RSC)

Date: 2020

DOI: 10.1039/C9CY02561H

Abstract: A platform material composed of 2D gold (Au) nanodot plasmonic single-lattices (Au-nD-PSLs) featuring tailor-engineered geometric features for visible-NIR light-driven enhanced photocatalysis is presented.

Enhancing Forbidden Light Propagation in Nanoporous Anodic Alumina Gradient-Index Filters by Alcohol Additives

Publisher: American Chemical Society (ACS)

Date: 08-12-2020

DOI: 10.1021/ACSANM.0C02615

Unravelling Structural Dynamics within a Photoswitchable Single Peptide: A Step Towards Multimodal Bioinspired Nanodevices

Publisher: Wiley

Date: 12-10-2020

DOI: 10.1002/ANGE.202004701

Abstract: The majority of the protein structures have been elucidated under equilibrium conditions. The aim herein is to provide a better understanding of the dynamic behavior inherent to proteins by fabricating a label‐free nanodevice comprising a single‐peptide junction to measure real‐time conductance, from which their structural dynamic behavior can be inferred. This device contains an azobenzene photoswitch for interconversion between a well‐defined cis , and disordered trans isomer. Real‐time conductance measurements revealed three distinct states for each isomer, with molecular dynamics simulations showing each state corresponds to a specific range of hydrogen bond lengths within the cis isomer, and specific dihedral angles in the trans isomer. These insights into the structural dynamic behavior of peptides may rationally extend to proteins. Also demonstrated is the capacity to modulate conductance which advances the design and development of bioinspired electronic nanodevices.

PPARγ Corepression Involves Alternate Ligand Conformation and Inflation of H12 Ensembles

Publisher: American Chemical Society (ACS)

Date: 05-05-2023

DOI: 10.1021/ACSCHEMBIO.2C00917

Engineering of Broadband Nanoporous Semiconductor Photonic Crystals for Visible-Light-Driven Photocatalysis

Publisher: American Chemical Society (ACS)

Date: 10-12-2020

DOI: 10.1021/ACSAMI.0C16914

Spectral Engineering of Tamm Plasmon Resonances in Dielectric Nanoporous Photonic Crystal Sensors

Publisher: American Chemical Society (ACS)

Date: 19-10-2021

DOI: 10.1021/ACSAMI.1C14949

Nanoporous anodic alumina-based iontronics: fundamentals and applications

Publisher: Royal Society of Chemistry (RSC)

Date: 2023

DOI: 10.1039/D3TC01735D

Abstract: An overview of structural, chemical, and iontronic properties of nanoporous anodic alumina (NAA) with proof-of-principle demonstrations of state-of-the-art iontronic applications such as ionic diodes, sensors, and osmotic energy generators.

An Inherently Fluorescent Peptide Constraint to Define Secondary Structure: Moving Away from Auxiliary Tags

Publisher: CSIRO Publishing

Date: 08-09-2021

DOI: 10.1071/CH21169

Mycobacterium tuberculosis Dethiobiotin Synthetase Facilitates Nucleoside Triphosphate Promiscuity through Alternate Binding Modes

Publisher: American Chemical Society (ACS)

Date: 09-10-2018

DOI: 10.1021/ACSCATAL.8B03475

Peptides as Bio-Inspired Electronic Materials: An Electrochemical and First-Principles Perspective

Publisher: American Chemical Society (ACS)

Date: 07-09-2018

DOI: 10.1021/ACS.ACCOUNTS.8B00198

Abstract: Molecular electronics is at the forefront of interdisciplinary research, offering a significant extension of the capabilities of conventional silicon-based technology as well as providing a possible stand-alone alternative. Bio-inspired molecular electronics is a particularly intriguing paradigm, as charge transfer in proteins eptides, for ex le, plays a critical role in the energy storage and conversion processes for all living organisms. However, the structure and conformation of even the simplest protein is extremely complex, and therefore, synthetic model peptides comprising well-defined geometry and predetermined functionality are ideal platforms to mimic nature for the elucidation of fundamental biological processes while also enhancing the design and development of single-peptide electronic components. In this Account, we first present intramolecular electron transfer within two synthetic peptides, one with a well-defined helical conformation and the other with a random geometry, using electrochemical techniques and computational simulations. This study reveals two definitive electron transfer pathways (mechanisms), the natures of which are dependent on secondary structure. Following on from this, electron transfer within a series of well-defined helical peptides, constrained by either Huisgen cycloaddition, ring-closing metathesis, or a lactam bridge, was determined. The electrochemical results indicate that each constrained peptide, in contrast to a linear counterpart, exhibits a remarkable shift of the formal potential to the positive (>460 mV) and a significant reduction of the electron transfer rate constant (up to 15-fold), which represent two distinct electronic "on/off" states. High-level calculations demonstrate that the additional backbone rigidity provided by the side-bridge constraints leads to an increased reorganization energy barrier, which impedes the vibrational fluctuations necessary for efficient intramolecular electron transfer through the peptide backbone. Further calculations reveal a clear mechanistic transition from hopping to superexchange (tunneling) stemming from side-bridge gating. We then extended our research to fine-tuning of the electronic properties of peptides through both structural and chemical manipulation, to reveal an interplay between electron-rich side chains and backbone rigidity on electron transfer. Further to this, we explored the possibility that the side-bridge constraints present in our synthetic peptides provide an additional electronic transport pathway, which led to the discovery of two distinct forms of quantum interferometer. The effects of destructive quantum interference appear essentially through both the backbone and an alternative tunneling pathway provided by the side bridge in the constrained β-strand peptide, as evidenced by a correlation between electrochemical measurements and conductance simulations for both linear and constrained β-strand peptides. In contrast, an interplay between quantum interference effects and vibrational fluctuations is revealed in the linear and constrained 3

Integrating surface plasmon resonance and slow photon effects in nanoporous anodic alumina photonic crystals for photocatalysis

Publisher: Royal Society of Chemistry (RSC)

Date: 2019

DOI: 10.1039/C9CY00627C

Abstract: This study explores the potential of gold-coated titania-functionalized nanoporous anodic alumina distributed Bragg reflectors (Au-TiO 2 -NAA-DBRs) as platforms to enhance photocatalytic reactions by integrating “slow photons” and surface plasmon resonance (SPR).

Constructing Dual-Molecule Junctions to Probe Intermolecular Crosstalk

Publisher: American Chemical Society (ACS)

Date: 15-06-2020

DOI: 10.1021/ACSAMI.0C01556

Rational Design of a 310 -Helical PIP-Box Mimetic Targeting PCNA, the Human Sliding Clamp

Publisher: Wiley

Date: 23-07-2018

DOI: 10.1002/CHEM.201803280

Structural Study of Potent Triazole-Based Inhibitors of Staphylococcus aureus Biotin Protein Ligase

Publisher: American Chemical Society (ACS)

Date: 21-02-2023

DOI: 10.1021/ACSMEDCHEMLETT.2C00505

Unravelling electron transfer in peptide-cation complexes: a model for mimicking redox centres in proteins

Publisher: Royal Society of Chemistry (RSC)

Date: 2020

DOI: 10.1039/D0CP00635A

Abstract: We provide evidence that bound zinc promotes electron transfer in a peptide by changing the electronic properties of the peptide.

Multi-coloured fluorescent sensing toolbox for selective detection of nitroxyl in vitro and ex vivo

Publisher: Royal Society of Chemistry (RSC)

Date: 2022

DOI: 10.1039/D2SD00006G

Abstract: Methods for the endogenous detection of nitroxyl (azanone HNO), the reduced and protonated derivative of nitric oxide (NO), are required to define its cardiovascular function and its key role in chronic pain.

A cell permeable bimane-constrained PCNA-interacting peptide

Publisher: Royal Society of Chemistry (RSC)

Date: 2021

DOI: 10.1039/D1CB00113B

Abstract: A small, inherently fluorescent macrocyclic peptide constrained with a bimane-linker is cell permeable, and binds the human sliding cl protein, PCNA, in a 3 10 -helical conformation with nanomolar affinity.

An improved synthesis of 4-aminobutanenitrile from 4-azidobutanenitrile and comments on room temperature stability

Publisher: Informa UK Limited

Date: 17-12-2021

DOI: 10.1080/00397911.2020.1832527

Cardiovascular bioimaging of nitric oxide: Achievements, challenges, and the future

Publisher: Wiley

Date: 19-10-2021

DOI: 10.1002/MED.21736

Abstract: Nitric oxide (NO) is a ubiquitous, volatile, cellular signaling molecule that operates across a wide physiological concentration range (pM–µM) in different tissues. It is a highly diffusible messenger and intermediate in various metabolic pathways. NO plays a pivotal role in maintaining optimum cardiovascular function, particularly by regulating vascular tone and blood flow. This review highlights the need for accurate, real‐time bioimaging of NO in clinical diagnostic, therapeutic, monitoring, and theranostic applications within the cardiovascular system. We summarize electrochemical, optical, and nanoscale sensors that allow measurement and imaging of NO, both directly and indirectly via surrogate measurements. The physical properties of NO render it difficult to accurately measure in tissues using direct methods. There are also significant limitations associated with the NO metabolites used as surrogates to indirectly estimate NO levels. All these factors added to significant variability in the measurement of NO using available methodology have led to a lack of sensors and imaging techniques of clinical applicability in relevant vascular pathologies such as atherosclerosis and ischemic heart disease. Challenges in applying current methods to biomedical and clinical translational research, including the wide physiological range of NO and limitations due to the characteristics and toxicity of the sensors are discussed, as are potential targets and modifications for future studies. The development of biocompatible nanoscale sensors for use in combination with existing clinical imaging modalities provides a feasible opportunity for bioimaging NO within the cardiovascular system.

A Bimane‐Based Peptide Staple for Combined Helical Induction and Fluorescent Imaging

Publisher: Wiley

Date: 24-08-2020

DOI: 10.1002/CBIC.202000485

Spiropyran‐Based Nanocarrier: A New Zn2+‐Responsive Delivery System with Real‐Time Intracellular Sensing Capabilities

Publisher: Wiley

Date: 13-12-2019

DOI: 10.1002/CHEM.201804816

Abstract: A new spiropyran-based stimuli-responsive delivery system is fabricated. It encapsulates and then releases an extraneous compound in response to elevated levels of Zn

Rationally Designed Probe for Reversible Sensing of Zinc and Application in Cells

Publisher: American Chemical Society (ACS)

Date: 27-09-2017

DOI: 10.1021/ACSOMEGA.7B00923

Realization of high-quality optical nanoporous gradient-index filters by optimal combination of anodization conditions

Publisher: Royal Society of Chemistry (RSC)

Date: 2020

DOI: 10.1039/C9NR10526C

Abstract: High-quality nanoporous anodic alumina gradient-index filters are realized by sinusoidal pulse anodization under optimized anodization conditions.

A New 1,2,3-Triazole Scaffold with Improved Potency against Staphylococcus aureus Biotin Protein Ligase

Publisher: American Chemical Society (ACS)

Date: 18-11-2022

DOI: 10.1021/ACSINFECDIS.2C00452

University Of Adelaide

Location: Australia

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Discovery Projects - Grant ID: DP130101827

Start Date: 01-2013

End Date: 12-2016

Amount: $390,000.00

Funder: Australian Research Council

Linkage - International - Grant ID: LX0881949

Start Date: 2008

End Date: 12-2012

Amount: $38,402.00

Funder: Australian Research Council

Linkage - International - Grant ID: LX0881950

Start Date: 01-2008

End Date: 06-2009

Amount: $118,793.00

Funder: Australian Research Council

Discovery Projects - Grant ID: DP0985176

Start Date: 07-2009

End Date: 10-2013

Amount: $350,000.00

Funder: Australian Research Council

Discovery Projects - Grant ID: DP180101581

Start Date: 05-2018

End Date: 12-2023

Amount: $416,584.00

Funder: Australian Research Council

Discovery Projects - Grant ID: DP0771901

Start Date: 2007

End Date: 12-2010

Amount: $300,000.00

Funder: Australian Research Council

Linkage Infrastructure, Equipment And Facilities - Grant ID: LE110100169

Start Date: 2011

End Date: 12-2011

Amount: $300,000.00

Funder: Australian Research Council

Linkage Infrastructure, Equipment And Facilities - Grant ID: LE210100139

Start Date: 2021

End Date: 07-2023

Amount: $1,240,000.00

Funder: Australian Research Council

Linkage Infrastructure, Equipment And Facilities - Grant ID: LE130100168

Start Date: 2013

End Date: 12-2014

Amount: $1,235,000.00

Funder: Australian Research Council

Discovery Projects - Grant ID: DP220102857

Start Date: 04-2022

End Date: 04-2025

Amount: $420,000.00

Funder: Australian Research Council

Linkage Projects - Grant ID: LP110200736

Start Date: 04-2012

End Date: 12-2015

Amount: $420,000.00

Funder: Australian Research Council

Linkage Infrastructure, Equipment And Facilities - Grant ID: LE150100203

Start Date: 06-2015

End Date: 12-2016

Amount: $860,000.00

Funder: Australian Research Council

Linkage Infrastructure, Equipment And Facilities - Grant ID: LE0989336

Start Date: 08-2009

End Date: 12-2010

Amount: $560,000.00

Funder: Australian Research Council

Super Science Fellowships - Grant ID: FS100100039

Start Date: 10-2010

End Date: 05-2014

Amount: $835,200.00

Funder: Australian Research Council

ARC Centres Of Excellence - Grant ID: CE140100003

Start Date: 10-2014

End Date: 12-2020

Amount: $23,000,000.00

Funder: Australian Research Council