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Bioinformatic tools for the analysis and interpretation of forensic sequencing dataAlex [email protected] SallyAnn Harbison Forensic Biology, ESR

School of Chemical Sciences Research Showcase 2017

Research Showcase 2017

Forensic DNA Analysis

Modern sequencers generates big data

Develop new software tools Use these to cross validate “on

instrument” tools Use these tools and machine learning to

learn about DNA and make predictions

2

Sequence

The Effect of the Antioxidants Glutathione and Ascorbic Acid on Pinot Gris and Sauvignon Blanc WinesXiaotong [email protected] Paul Kilmartin Research Group



Main Points6 Different Marlborough Sites3 Pinot Gris and 3 Sauvignon BlancDifferent Levels of Glutathione and Ascorbic AcidThiols, Polyphenols, Esters, C6 Analysis

2

Towards a Cure for Batten Disease- A Structural and Biochemical Study Oi Wei [email protected]

Dr Ivanhoe Leung Research Group



Autosomal recessive

inheritance

Lysosomal storage disorder CLN1

mutation→ PPT1

deficiency

6m

10y/o- Blindness- Death

- Seizure

Symptoms

Healthy nerve cell

INCL nerve cell

Unresolved treatment protocols

Inhibit DHHC3/7 to improve the efficacy of

PPT1 ERP

PPT1

DHHC3/7

Enhancement of Batten disease

membrane

PPT1PPT1

PPT1

PPT1 PPT1

PPT1 PPT1

Anticancer agents based on N-heterocyclic carbene (NHC) ligands:Towards compounds with multiple functionalities

Hadi Mazruee Kashani [email protected] Hartinger Research Group



Widely used anticancer drugSignificant side effects Intrinsic and acquired drug resistance

clinically investigatednon-DNA targeted

New generation of anticancer drugs : Ru(II)-arene piano-stoolcomplexestunable biological activitymultimodal anticancer agents

Ru (III) compounds

RuCl

Cl

R

RAPTA Derivatives

NN

NP

PtNH3Cl

Cl NH3

N

NH

RuCl

Cl Cl

Cl

DMSO

+

HN

NH

-

NAMI-A

Platinum-based compounds

Ru (II) compounds

cyclooxygenasescathepsins

UNDERSTANDING THE STRENGTHSOF HUMAN OXYGEN BIO-SENSORS

Naasson Mbenza

[email protected]

Dr Ivanhoe Leung research group



UNDERSTANDING THE STRENGTHS OF HUMAN OXYGEN BIO-SENSORS

Solid storage and delivery of CO

(CORM-2)

MALDI-TOF

O2

CO

Oxygen Sensing Enzyme (PHD2)

In Situ

Substrate

Tony Melton

[email protected]

Prof James Wright Research Group



Fe TAML Catalyst

• Microcontaminants in water supplies can cause serious health problems at ppm levels.

• Pesticides, pharmaceuticals (EE2), endocrine disrupters (BPA) • Poorly removed by standard treatment processes. Chlorination can

cause formation of organochlorine compounds.

H2O2in situ

Graphite:Polytetrafluoroethylene Electrodes

1:1 2:1 3:1

-0.025

-0.02

-0.015

-0.01

-0.005

0

0.005

-0.9 -0.8 -0.7 -0.6 -0.5 -0.4 -0.3 -0.2 -0.1 0

Cur

rent

(A)

Potential (V)

Cyclic Voltammogram of 1:1 Graphite:PTFE Electrode at pH 12.5

H2O2 + 2OH-

0

20

40

60

80

100

120

140

160

180

0 10 20 30 40 50 60

[H2O

2] (µ

mol

/L)

Time (min)

Electrogeneration of Hydrogen Peroxide at pH 12.5

3:1graphite:PTFEelectrode2:1graphite:PTFEelectrode1:1graphite:PTFEElectrode

O2 + 2H2O + 2e-

Synthetic Studies towards

Inducamide C & Breitfussin B

Ardalan Nabi

[email protected]

A/Prof Jonathan Sperry


Research Showcase 2017 2

CHEMOTHERAPY: MORE EFFICIENT - LESSER SIDE EFFECTSJinal [email protected] Ivanhoe Leung Research Group



2

Aim of the research is to develop novel and potential inhibitor of human Tyrosyl-DNA phosphodiesterase

(TDP1) enzyme so we can improve the

efficiency of cancer chemotherapy

X-Ray Crystallography

Synthetic Studies towards the Marine Toxin PortimineEsperanza [email protected] by Dist. Prof. Margaret Brimble and Dr Daniel Furkert



Unique biological profileLow in vivo toxicity in miceHigh in vitro activity against leukaemia and lymphoma cell lines

Unique structural features

2

O

HO

H

OH

OO

NPortimine

O

HO

H

OH

OO

N O

H

OBz

H

NHRNHC-Stetter coupling

Nozaki-Hiyama-Kishi coupling

OOPG

Br

Coupling of the spiroimine and polyketide fragments of Portimine

Chemical transformations of the

biomass-derived building block

3-acetamido-5-acetylfuran (3A5AF)Thuy Trang Pham

[email protected]

A/Professor Jonathan Sperry Research Group



http://www.mesa.edu.au/crustaceans/default.asp

Transformation of 3A5AF

Target: Synthesize a variety of useful compounds bearing nitrogen from 3A5AF

Green Chem., 2014,16, 2204–2212

Chemical mechanisms underlying the activity of hypoxia-seletive anticancer drugs. Wendy Qi [email protected]

A/P Bob Anderson Free Radical Research Group A/P Michael Hay ACSRC


(BTO) Benzotriazine dioxide

N

NN

R

O

ON

N

R

O

O

CN

(QDO) Quinoxaline dioxide

R= NH2/CH3/Ph R= NH2/CH3/Ph

Research Showcase 2017 2

Scheme 1. Mechanism of action of tirapazamine (TPZ)

N

NN

R

O

N

NN

R

O

N

N

R

O

O O

CN

R= NH2/CH3/Ph

N

N

R

OCN

Methods • Pulse radiolysis • Electron paramagnetic resonance (EPR) • Cell culture

Figure 1. Compounds to be studied

N

NNO

ONH2 N

NNO

ONH2 N

NNO

OHNH2

O2O2

H+

N

NNO

NH2

N

NNO

NH N

NNO

NH N

NNO

NH2

- H2O

OH

TPZ radical anionTPZ

1e

BTZ radical

1-oxide

Aryl radical

Hybrid self-assembling peptide

towards functionalised biomaterialsAakanksha Rani

[email protected]

Distinguished Prof Brimble Research Group



Hybrid self-assembling peptide towards functionalised biomaterials

Figure 1. Peroxiredoxin III [1]

1. IKHLSVN

2. IKFLSVN

Figure 3. Transmission electron

Micrographs of peptide 2 showing

twisted-fiber morphology at 3.7 mg/ml

Figure 2. Peptides 1 and

2 at 10 mg/ml in water

Figure 4. Organic semiconductor

H to F

Self-assembled

functionalised

semiconductors

Better performing

electronic devicesSemiconducting

molecule

[1] Valéry C, Pandey R, Gerrard JA. Chemical Communications 2013;49:2825-7.

Amyloid nanofibril materials for

the delivery of antimicrobialsRomana Schmiedt

[email protected]

Prof Juliet Gerrard Research Group


Knowles, T. P. J.; Mezzenga, R. Adv Mater 2016, 28, 6546-6561.


Protein nanofibrils as drug delivery platform

2

Adapted from: Chiti, F.; Dobson, C. M. Nat Chem Biol 2009, 5, 15-22.

Native protein Amyloid fibrilIntermediate

Polycaprolactone

Protein nanofibrils

Electrospinning

AntibioticsSilver nanoparticles

Zinc oxide nanoparticles

Controlled antimicrobial release

Electrospuncomposite

Characterization and Functionality of Selenium Species Extracted from High-Selenium PlantPipat [email protected]/P Siew Young Quek Research Group


https://www.visoflora.com/photos-nature/photo-malus-hupehensis.html


Biotransformation• Saccharomyces • Aspergillus• Lactobacillus

Selenium speciation

Malus hupenensis

Inorganic Organic

Selenium species

Selenomethionine Selenocysteine

• Antioxidant• Anti-inflammation• Anticancer

Functional properties

Two are better than OneHeterodinuclear Anticancer Complexes as Drug CarrierKelvin Tong

[email protected]

Prof Christian Hartinger Research Group (Hartinger Hub)



Angewandte Chemie International Edition 2008, 47 (20), 3773-3776

Drug-resistance

Multiple UnitsGets Caged

Seeking for controlled release of drug molecule

Light / Redox / pHCisplatin

Piano-stool Complexes

Intrinsically Stretchable Conductive

Polymers for Wearable Organic Electronics

Min [email protected]

Prof. Jadranka Travas-Sejdic Research Group



400 500 600 700 800 900 1000 1100 1200 13000.00

0.05

0.10

0.15

0.20

0.25

0.30

0.35

0.40

Abs

(a.u

)

Wavelength (nm)

0.0 V 0.1 V 0.2 V 0.3 V 0.4 V 0.5 V 0.6 V

back 0.6 V back 0.5 V back 0.4 V back 0.3 V back 0.2 V back 0.1 V back 0 V

Material Characterizations

1

Background*

*Images reprinted from http://lightinghomes.net/gallery/stretchable.asp

Poly (thiophene phenylene)

Poly (n-butyl acrylate)

Figure 1. Scheme and structure for graft copolymer PThP-g-PnBA

Structural Design

x:y = 1:5n = 17,30,60

PThP PThP-g-PnBA17 PThP-g-PnBA30 PThP-g-PnBA60

400 500 600 700 8000.00

0.05

0.10

0.15

0.20

0.25

0.30

0.35

0.40

Abs

(a.u

)

Wavelength (nm)

PThP PThP-g-PnBA17 PThP-g-PnBA30 PThP-g-PnBA60

UV PL

Rel

ativ

e in

tens

ity o

f flu

ores

cenc

e

Figure 2. (a) UV and PL spectra for four polymers; (b) PThP% and QYs for four polymers. Figure 3. (a) Spectroelectrochemistry spectra for PThP-g-PnBA17 ; (b) in situ

CV-UV-Vis-NIR spectroelectrochemistry spectra for PThP-g-PnBA17.

0

20

40

60

80

100

(%)

PThP% Quantum Yields

100%

49%

35%

22%

34.8% 32.5%24.3%

5.3%

Spectroscopic property Spectroelectro chemistry

(a) (b) (c) (d)

PThP G-17 G-30 G-60

Exploring the Optical Properties of

Glucose-BODIPY Conjugates aided by

DFTMartijn Wildervanck

[email protected]

Supervisor: Prof Penny Brothers

Co-supervisor: Dr David Ware


Glucose Galactose FructoseMannose Ribose


Molecular Modelling and predicting behaviour

0

0.2

0.4

0.6

0.8

1

250 350 450 550 650

Numerous isomeric forms

Fluorescent core

sugar

sugar

Total Synthesis of Lexapeptide; a new line of treatment

against Multi-Drug Resistant (MDR) bacteriaElyse Williams

[email protected]

Dist. Prof. Margaret Brimble Research Group



Total synthesis of LexapeptideLanthipeptide class of antibiotics

Unique antibacterial activity

Similar potency to antibiotics clinically used for life-threatening infections

Stable at physiological pH

Aminovinyl Methyl Cysteine (AviMeCys)

DL-Methyl Lanthionine (DL-MeLan)

Peptide Synthesis

Isolated from Streptomyces

rochei

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