Friday, October 21, 2011

Synthesis and Characterization of

Iron Composite Nanoparticles for Cancer Therapy

Amanda Huey

Dr. Guandong Zhang

Dr. Daniel Cullen

PI: Dr. Ian Baker

Center for Nanomaterials Research at Dartmouth

Research Experience for Undergraduates Program

August 15, 2008

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1. Introduction

Magnetic nanoparticles can be used for many applications, including magnetic recording

media, catalysis, MRI contrast enhancement, drug delivery and hyperthermia.
1,2 Hyperthermia is

a promising form of cancer therapy that locally heats tissue to greater than 42ºC for to destroy

tissue, particularly tumors.
1 The difficulty of this therapy lies in selectively heating cancer

tumors.
1 By localizing magnetic nanoparticles to the desired area and applying an alternating

magnetic field (AMF), the particles can generate heat by hysteresis loss, thus killing cancer cells

with minimal injury to normal tissues. Highly hysteretic particles are desirable because they will

give off the most heat with the lowest dose to a patient.
1,2 Iron, which has a very high magnetic

saturation value (220 emu/g), is ideal for hyperthermia application.

Other criteria necessary for magnetic nanoparticle hyperthermia application include:

biocompatibility, non-toxicity, high accumulation in target tissue and good dispersion in aqueous

solution.
1,3 Yet iron is reactive to both oxygen and water and can eventually be oxidized into

weakly ferromagnetic and antiferromagnetic species respectively, rendering particles less useful

to hyperthermia.
1 Therefore, it is critical to utilize protection strategies that chemically stabilize

naked nanoparticles against oxidation.
2 Such strategies include: passivation to form a strongly

adherent magnetite (Fe
3O4) shell around the iron core and coating particles with coatings that

protect the iron core.
1,2 It is hypothesized that hydrophobic coatings and bilayer coatings protect

the iron core of nanoparticles better than hydrophilic and monolayer coatings. Coatings can be

attached to nanoparticles via van der Waals forces, charge attraction, or covalent bonding

directly to the nanoparticle surface. Protective layers can then be used for further

functionalization, depending on the desired application for the nanoparticles.
2 For hyperthermia,

biocompatible outermost coatings must be used to help particles avoid opsonization and

phagocytosis by the reticulendothelial system (the body’s mechanism to destroy foreign

substances) so that can be implemented.
3

This project focuses on synthesizing iron nanoparticles and then using surface

modification to protect the iron core and achieve a biocompatible coating. The particles’

magnetic properties, surface coating and heating properties were then characterized using:

Transmission Electron Microscopy (TEM), X-Ray Diffraction (XRD), Vibrating Sample

Magnetometry (VSM), Hyperthermia/Specific Absorption Rate (SAR), Infrared Spectroscopy

(IR) and Thermogravimetry/Differential Thermal Analysis (TG/DTA). The long-range goal of

this research is to be able to synthesize biocompatible iron composite nanoparticles for cancer

therapy.

2. Experimental

2.1 Synthesis of Fe/Fe
3O4 Nanoparticles and Surface Modification

2.1.1 Synthesis of Fe/Fe
3O4 Nanoparticles

Fifteen nm Fe/ Fe
3O4 core-shell nanoparticles were synthesized using the microemulsion

method, in which NaBH
4 reduces aqueous FeCl3. Two microemulsion solutions were prepared.

Each microemulsion solution contained the same oil phase (n-octane), surfactant (cetyl trimethyl

ammonium bromide [CTAB]) and co-surfactant (n-butanol), but the water phase differed, with

one microemulsion containing FeCl
3 and the other NaBH4.

To prepare a microemulsion, 75 mL n-octane, 14.3g CTAB and 12.8 mL n-butanol were

agitated in an Erlenmeyer flask. Separately, 30 mL of 0.20M FeCl
3 solution and 30 mL of 0.85M

2

NaBH
4 solution were prepared and then each was added to a separate oil phase containing flask.

The microemulsions were then agitated under Argon gas protection for 45 minutes. Then, the

NaBH
4 microemulsion was added drop-by-drop to the FeCl3 microemulsion over the course of

about 10 minutes under high speed agitation and the mixture was left to react for 10 more

minutes. Afterwards, under Ar protection, the fresh nanoparticles were separated on a magnetic

field and then washed with de-gassed deionized (DI) water, then methanol, then acetone as

quickly as possible to prevent oxidation. The particles were then passivated in an Ar-filled

desiccator for two days to form the protective magnetite (Fe
3O4) shell.

2.1.2 Fe/Fe
3O4 Nanoparticles Stabilized with Trimethylamine N-oxide

To best preserve the iron core, directly after nanoparticle synthesis130 mg freshly

synthesized particles were added to a solution of 15 mg trimethylamine N-oxide in 2 mL of

isopropyl alcohol (IPA). The mixture was sonicate and left to react for 40 minutes, then rinsed

twice with methanol and dried with Ar.

2.1.3 Phase Transfer of Fe/Fe
3O4 Nanoparticles Using Tetramethyl Ammonium Hydroxide

(TMAH)

Fifteen mg Fe/Fe
3O4/CTAB (original) nanoparticles were dispersed in 5 mL hexane and

then the solution was added to 5 mL 12% tetramethyl ammonium hydroxide (TMAH) solution.

The mixture was sonicated and shaken until the particles transferred to the bottom (aqueous)

layer.

2.1.4 Fe/Fe
3O4 Nanoparticles Modified by Hydrophobic Silanes: Hexamethyldisilazane

(HMDS) and Octadecyltrichlorosilane (OTS)

HMDS modification: Directly following synthesis, after the methanol wash, about 50 mg

of Fe/Fe
3O4 nanoparticles were washed with TMAH, then methanol again, then with 9 mL of 2:1

toluene: methanol solution, then with toluene. Then particles were dispersed in 9 mL 3.0 %

hexamethyldisilazane (HMDS) toluene solution in a glass vial filled with Ar. The sample was

then discontinuously sonicated at 50
°C for 4 hours. Finally, nanoparticles were separated and

dried at 100
°C for 2 minutes under Ar protection.

OTS modification: 30 mg Fe/Fe
3O4/CTAB particles were added to a solution of 3 mL

IPA and .3 mL TMAH. The solution was sonicated 25 minutes, then rinsed twice with IPA and

once with toluene. The particles were then dispersed in 3 mL toluene plus 30 μL OTS and

sonicated 20 minutes. The particles were then rinsed once with toluene and dried on a hot plate at

50ºC under Ar protection.

2.1.5 Fe/Fe
3O4 Nanoparticles Modified by Phosphatidylcholine (PC)

For a 30% PC coating, 80 mg Fe/Fe
3O4/HMDS (or Fe/Fe3O4/OTS) modified particles

were added to a solution of 0.24 mL PC and 0.12 mL chloroform. The solution was sonicated 25

minutes at room temperature and then the chloroform was evaporated under Ar protection.

2.1.6 Fe/Fe
3O4 Nanoparticles Modified by Pluronic® Copolymers

Pluronic
® F-127: 26.1 mg Fe/Fe3O4/CTAB particles were dispersed in a solution of 7.9

mg F-127 in .15 mL chloroform and sonicated for 50 minutes, then dried under Ar protection.

Pluronic
® P-123: 15.4 mg Fe/Fe3O4/CTAB particles were dispersed in a solution of 5.3

mg P-123 in .1 mL chloroform, sonicated for 50 minutes, and dried under Ar protection.

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2.1.7 Fe/Fe
3O4 Nanoparticles Modified by Covalent Bonding: Dopamine-Dicarboxylterminated

Polyethylene Glycol

First, 6 mL PBS and 14 mL DI water were mixed and sonicated, then 0.30g N-(3-

Dimethylaminopropyl)-N
-ethylcarbodiimide hydrochloride (EDC) and 0.30g NHydroxysuccinimide

(NHS) were added to the solution and sonicated. Then 0.30g dopamine

(DA) hydrochloride was added and the solution was sonicated. Finally, 0.2 mL dicarboxylterminated

polyethylene glycol (PEG) was added and the solution was sonicated 20 minutes and

left to react overnight (about 18 hours) to ensure amide bond formation due to the EDC reaction.

The next day, a solution of 0.1g KOH in 2 mL DI water was used to change the pH of 5.5

mL EDC reaction solution to about 6.5. Then, 23.8 mg Fe/Fe
3O4/CTAB (or Fe/Fe3O4/oxidizer)

particles were added to solution, sonicated 25 minutes, then rinsed twice with methanol,

centrifuged for 5 minutes, then dried with Ar.

2.2 Characterization of Nanoparticles

The crystallinity and structure of iron composite nanoparticles were determined by using

X-ray diffraction (XRD). Transmission electron microscope (TEM) was used to verify the shape

and size of particles, as well as the presence of an iron core. The magnetic saturation and

coercivity of the nanoparticles were determined by examining the hysteresis loop produced by

the vibrating sample magnetometer (VSM). The surface coating on particles was examined by

using infrared spectroscopy (IR) and Thermogravimetry/Differential Thermal Analysis

(TG/DTA). Finally, the heating effect of the Fe/Fe
3O4 nanoparticles was examined under an

alternating magnetic field measured by a heating setup in the lab.

3. Results & Discussion

Iron nanoparticles were synthesized using the microemulsion method because this

method yields monodisperse iron nanoparticles without requiring high temperature or high

pressure conditions. It is easy to control particle size and thus the magnetic properties of the

nanoparticles by changing the oil to water ratio of the solution. In the microemulsion, the water

droplets act as a mini-reactor site for equation (1) to occur:

2FeCl
3 + 6NaBH4 + 18H2O 2Fe0 + 21H2 + 6B(OH)3 + 6NaCl (1)

The iron core of freshly synthesized particles must be preserved by formation of a thin

magnetite (Fe
3O4) shell. One method of Fe3O4 shell formation is passivation using Argon gas;

another uses an oxidizer, such as Trimethylamine N-oxide, which helps transfer oxygen to the

iron core to form magnetite, rather than a less magnetic iron oxide, such as hematite (
α-Fe2O3) or

goethite (
α-FeOOH). Figure 1 shows VSM results demonstrating the benefit of using oxidizer

directly after particle synthesis in order to preserve the iron core and thus the magnetic properties

of the particles. Particles preserved with oxidizer have a magnetic saturation (Ms) of 90 emu/g,

while the original particles only have an Ms of 58 emu/g.

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Figure 1: VSM results showing the effect of oxidizer on iron core and magnetic property

preservation in Fe/Fe
3O4 nanoparticles

Freshly synthesized particles also have a layer of surfactant (CTAB) coating, which must

be modified in order to better preserve the iron core. New coatings can replace old coatings due

to stronger bonds with nanoparticles. In addition, new coatings can be used to achieve a phase

transfer of the nanoparticles from the oil phase to the water phase, which is necessary for

biocompatibility. Phase transfer is important because even though CTAB is an amphiphilic

compound, Fe/Fe
3O4/CTAB particles disperse in the oil phase. Figure 2 shows a schematic of

surfactant replacement, with tetramethyl ammonium hydroxide (TMAH) replacing CTAB and

Figure 3 shows the resulting phase transfer of the nanoparticles from oil to water phase.

Figure 2: Schematic of surfactant replacement with TMAH replacing CTAB on Fe/Fe
3O4

nanoparticle surface
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Figure 3: Phase transfer of Fe/Fe
3O4 particles from oil to water phase

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One type of coating that helps preserve the iron core is a hydrophobic silane coating, such

as hexamethyldisilazane (HMDS) or octadecyltrichlorosilane (OTS), since hydrophobic coatings

impede oxidation better than hydrophilic coatings. Figure 4 shows the schematic of HMDS

modification.

Figure 4: HMDS silanization on the Fe/Fe
3O4 nanoparticle surface5

Figure 5 shows the benefit of using a hydrophobic coating, rather than a hydrophilic one,

to preserve the iron core of nanoparticles. The original particles (CTAB coated) have an Ms

value of 104 emu/g and the hydrophobic HMDS coated particles have a Ms of 83 emu/g. The

decrease in the Ms value is due to the oxidation of iron that occurs during the modification

process. However, the hydrophilic TMAH coated particles only have an Ms value of 73 emu/g,

showing that nanoparticles with a hydrophilic coating are more easily oxidized.

Figure 5: VSM results for original (CTAB), HMDS, and TMAH coated Fe/Fe
3O4

nanoparticles

OTS silanization works analogously to HMDS silanization, but the longer hydrophobic

tail of OTS (18 carbons) functions to better protect the iron core of the particles. Figure 6 shows

the heating results showing the heating effects of particles coated with OTS and

phosphatidylcholine (PC, a biocompatible coating, to be discussed later) versus particles coated

with HMDS and PC. Since both solutions consist of 0.6% of some iron-containing compounds,

the higher heating effect of the OTS/PC particles must be due to better preservation of the iron

core thanks to the longer hydrophobic tail on OTS.

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Figure 6: Heating effect results comparing hydrophobic silane coatings of

Fe/Fe
3O4/OTS/PC vs. Fe/Fe3O4/HMDS/PC particles

Since silanes are not biocompatible, a biocompatible coating must be added over the

silane, usually via van der Waals forces. Figure 7 shows a mechanism of the addition of a

biocompatible phospholipid, phosphatidylcholine (PC), to a silanized nanoparticle.

Figure 7: Mechanism of PC assembly via van der Waals forces to form a biocompatible

outermost layer
5

Pluronic
® copolymers, which are also added via van der Waals forces (Figure 9), provide

a unique way of preserving the iron core and providing a biocompatible coating due to their

hydrophobic and hydrophilic chain sections (Figure 8) and temperature dependent properties.

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8. a) b)

Figure 8: a) General structure of Pluronic
® copolymers b) Structure of the two

copolymers used to modify nanoparticles
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Figure 9: Schematic of Fe/Fe
3O4 nanoparticle modification with Pluronic® copolymer5

Below critical micelle temperature (CMT), Pluronic
® is hydrophilic; above it, the PPO

chain dehydrates and becomes hydrophobic and micelles self-assemble. At even higher

temperatures, the entire chain becomes hydrophobic and micelles self-associate.
4 It is

hypothesized that these properties might help produce better hyperthermia heating effects.

Another way to preserve the iron core and provide a biocompatible coating is through

covalent bonds to the nanoparticle and between coating layers; these tighter bonds better

preserve the iron core and hold coatings in place. According to Yunyu Shi, 2-(3,4-

dihydroxyphenyl)ethylamine (dopamine, or DA) provides good, strong covalent bonds to Fe
3O4

in nanoparticles.
3 The NH2 group of dopamine can then be used for further functionalization,

such as formation of an amide bond with biocompatible carboxyl-group terminated polyethylene

glycol (PEG), yet with two carboxyl groups on PEG, cross-linking between particles becomes a

problem.
3 Cross-linking was avoided by maintaining a low concentration of particles in solution,

thus linking both carboxyl groups of PEG to a single particle. Dopamine and PEG were bonded

together first via amide bond formation by the EDC reaction, as seen in Figure 10a. Particles

were then added to solution to form a bond between the hydroxyl group of dopamine and the

nanoparticle (Figure 10b). The particles were added second in order to avoid prolonged exposure

to aqueous conditions, which leads to oxidation of the iron core.

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