SYNTHESIS AND SINTERING 4 (2024) 124–129

Available online at www.synsint.com

Synthesis and Sintering

ISSN 2564-0186 (Print), ISSN 2564-0194 (Online)

Research article

A surface plasmon resonance biosensor for bacteria and virus

detection: A Comsol Multiphysics simulation

Loujayn Ayache, Kiana Mahtabi Nourani, Shahla Azizi *

Department of Electrical and Electronics Engineering, Eastern Mediterranean University, Famagusta, via Mersin 10, Türkiye

ABSTRACT KEYWORDS

This study provides a comprehensive simulation-based investigation into the design and Tungsten diselenide
performance optimization of a surface plasmon resonance (SPR) biosensor. The main goal of Sensitivity
this study is to improve sensitivity and accuracy by combining optical and colorimetric Black phosphorus
biosensing techniques. The biosensor is studied, examined, and simulated using Comsol SPR
Multiphysics. Sensing medium, black phosphorus, tungsten diselenide (WSe2), gold (Au), Biomolecule detection
magnetite (Fe3O4), and N-BK7 glass as prism are the layers that make up the structure of the
proposed sensor. The study evaluates various parameters such as electric potential distribution,
surface temperatures, conductive heat flux, eigenfrequency, electric field norm, and
temperature gradients. The use of WSe2 aims for a higher sensitivity for detecting
biomolecules. This paper proves the effect of using Fe3O4 and WSe2 among the six layers of
the sensor in increasing the selectivity and sensitivity of the SPR biosensor. The findings reveal
intricate interactions between the biosensor layers, which influence its thermal and
electromagnetic behavior. The findings of this study contribute to the advancement of SPR
biosensor technology, which has the potential for a variety of applications in the biomedical
field.
© 2024 The Authors. Published by Synsint Research Group.

1. Introduction The excitation of SPR necessitates the utilization of p-polarized light,

aligned parallel to the incident plane [2]. Conversely, s-polarized light
Surface plasmon resonance (SPR) interferometry represents a pivotal assumes significance for illuminating the surface perpendicularly to the
transduction mechanism utilized for inducing optical alterations. This incident light. The interaction between the input light and SPW
method capitalizes on the collective electron oscillations within the culminates in a discernible dip in reflected light intensity, indicative of
interface of a metal and dielectric material to engender a charge density the SPR angle [2].
wave. Its application in elucidating nucleic acid hybridization dynamics The extension of the evanescent electric field beyond the metal layer
stems from its capability to delineate the binding kinetics between permits interaction with surface compounds, effectuating alterations in
biomolecules and receptor ligands [1]. An SPR immunosensor the SPR angle conducive to sensing. Gold is typically favored for
configuration typically encompasses a light source, prism, and enhancing the evanescent wave in SPR setups [3]. The immobilization
transduction surface predominantly comprising gold films, of biomolecules on the transduction surface facilitates the recognition
biomolecular entities, a flow system, and a detector. Operationally, of target analytes, thereby modulating the SPR angle in a
incident light impinges upon the metal-layered surface and the sample, concentration-dependent manner as shown in Fig. 1.
giving rise to a transverse wave manifesting as a surface plasmon wave Notable advantages of SPR biosensors include their capability for
(SPW), eliciting changes in reflected light intensity at the SPR angle. rapid, real-time measurements, affording insights into the dynamic

* Corresponding author. E-mail address: [email protected] (S. Azizi)

Received 21 December 2023; Received in revised form 21 May 2024; Accepted 26 May 2024.
Peer review under responsibility of Synsint Research Group. This is an open access article under the CC BY license (https://creativecommons.org/licenses/by/4.0/).
https://doi.org/10.53063/synsint.2024.42196
L. Ayache et al. SYNTHESIS AND SINTERING 4 (2024) 124–129 125

Fig. 1. Schematic representation of sensor layers of SPR.

binding kinetics and layer formation processes [1]. Furthermore, the the sensing layer of biomolecules, WSe2 as a bilayer between
label-free approach obviates the need for extensive reagent purification, Gold and BP to enhance light absorption, Gold (Au) as the
thereby conferring exceptional sensitivity with minimal resource transduction surface, Fe3O4 as the magnetic-based nanoparticle
consumption. However, challenges such as the requirement for for coating the sensor, and water. The report mentions the
expensive instrumentation, the potential for contamination due to characteristics of each material and the reasons behind choosing
biomolecule leakage, and sterilization issues associated with non- them. Additionally, the report will continue by explaining the
sterilized probes leading to denaturation, impinge on the method's effects of physics and the type of study used in the provided
widespread adoption and applicability [1]. model. Finally, the results that was obtained from the proposed
This project is about a surface plasmon resonance-based model simulated using Comsol Multiphysics by comparing
biosensor that can detect biomolecules. The project aims to them with previously published studies about biomolecules
provide an optical biosensor model that uses Fe3O4, a type of detection will be discussed.
magnetic-based nanoparticle, as a signal transducer. Knowing Biosensors can be considered as an application of system medicine by
that the main characteristics of biosensors are selectivity, using a holistic approach to system biology [1]. The system approach
stability, sensitivity, reproducibility, linearity, and consists of 3 steps, starting with identifying system variables of the
biocompatibility, the project also proposes a model that can case of study as the first step, detecting and characterizing the
provide better characteristics based on physics and the type of interactions going on between the variables selecting the key ones, and
study chosen for this project, primarily focusing on better finally investigating the consequence of these interactions [4]. To
selectivity and sensitivity. Additionally, the study suggests the detect bacteria and/or Plasmodium parasites, cell-based biosensors can
use of a new layer in the biosensor design, which is WSe2, be used. Cell base means detecting the cells involved in the disease by
acting as a biospecific bilayer following the same working using an enzyme-based recognition element. To make the biosensor to
principle as a sandwich assay immunosensor. The study is be cell-based, the sensor needs some main properties and
targeted toward biomedical engineers, molecular biologists, and characteristics including high sensitivity, and cost efficiency to detect
chemists to help in investigating and developing biosensors with the enzyme that is secreted in malaria and also, waterborne viruses [5].
higher sensitivity and specificity to detect biomolecules in the Water can act as a reagent to detect the presence or concentration of the
human body, aiding in the early detection of infectious diseases analyte of our interest, which in the case of the study are bacteria [6].
to prevent treatment failure and the development of pandemics. As water is added to the biosensor, it will result in color change in case
The paper started by explaining what Surface SPR of the presence of harmful contaminates, and as water has a covalent
interferometry is, its main advantages and drawbacks in the field bond, it can produce a dipole moment between the atoms of hydrogen
of biosensors, and how these can be improved. It will also and oxygen, so it is considered as a weak acid, therefore, it can be used
discuss how SPR optical-based biosensors can aid in the for multiple test or bioassays that conduct at the same time [7].
detection of infectious or bacterial diseases, followed by
objectives and a literature review. The second part of the report 2. Methodology
explains what Comsol Multiphysics is and the benefits and
2.1. Comsol Multyphysics
advantages it offers to simulate a biosensor model. The report
will continue by explaining the different layers used for various Comsol Multiphysics is an extensive simulation program used
parts of this study, including water, black phosphorus (BP) as by engineers from various fields, including biomedical,
126 SYNTHESIS AND SINTERING 4 (2024) 124–129 L. Ayache et al.

electrical, mechanical, and materials science. It provides a full Eq. 4 consists of seven main parameters including ρ representing the
set of tools, allowing users to specify geometry, assign material density, Cp as specific heat capacity at constant pressure, u as
materials, simulate physical phenomena, mesh, and evaluate the velocity of the fluid flow, ∇T as the gradient of the temperature
simulations [8]. Utilizing Comsol Multiphysics effectively field T, q as the heat flux vector, q0 as volumetric heat generation term,
necessitates proficiency in mathematical problem-solving, and Qted as the specific type of heat source. In Eq. 5, the same
analytical skills encompassing statistical methods, and a robust parameters are repeated to describe Fourier's law of heat conduction.
understanding of engineering and scientific principles [8]. To
gain insight into the behavior of the system being studied, the 2.3. Design of SPR biosensor
software's process usually entails defining and assigning
The proposed SPR model of the study uses rectangular
geometric parameters, defining material characteristics, meshing
geometry with dimensions of 1.2 × 0.25 mm in 2D space for all
layers for simulation, and assessing the findings [9]. Comsol
five layers using the Kretschmann configuration. Based on the
Multiphysics is an essential instrument in scientific research and
Kretschmann configuration, the reflection of the light or
engineering because of its systematic approach, which not only
electrical particles is subsequently measured after light passes
helps with design optimization but also allows engineers to
through the thin layer of a metal or magnetic-based nanoparticle
obtain precise and dependable findings [9].
(Fe3O4) and strikes the glass prism [13]. Plasmon resonant
2.2. Mathematical model occurs because of the absorption of light or electrical particles at
a certain incident angle of the light in which this angle has the
In charge particle tracing, plasmas are events resulting from a same frequency as the incident angle and is called resonance
collisionless state in space in the way that particle collisions are rare to angle [15]. Following the principles of Kretschmann, in the
happen. As a result of this collision, there will be a distribution of proposed model of the study, there are no gaps between the
charged particles in which they do not follow a typical pattern in a layers, so the output of each layer is the input of the next layer
denser system. Turbulent plasmas are a process that considers events [16]. If the angle that the particles hit is greater than the critical
including interactions between particles and waves and the interaction angle, the light will reflect internally towards the material
between the waves, where such events are known as complex nonlinear causing an event known as evanescent waves [17]. As a result of
kinetic processes. Generally, plasmas-related events are used to explain evanescence, the wave particles will travel inside the thin metal
concepts such as energy or momentum exchanges in the environment layer rather than moving to the next layer so that they will not
that the event is happening (heat transfer) [8], such process can be propagate along the surface of the layer [17]. A part of this
explained by the expression: study focuses on the detection of virus and bacteria infection in
d dq  the detection of malaria that is caused by Plasmodium parasites.
 mp  = Ft (1)
dt  dt  Detecting such kinds of infections requires the use of highly
sensitive biosensors to trace the amount of specific enzymes
The equation is a type of differential expression of Newton’s second
secreted by the malignant-malaria-causing parasite [18]. In
low of motion. This equation was used to derive the force carried by
recent years, BP has shown a great capability to be used as a
the charged particle where mp stands for the particle mass, Ft is the total
perfect substituent instead of other 2D materials including
mass acting on the particle, and dq/dt is the rate of change of the
molybdenum disulfide (MoS2), hexagonal boron nitride (h-BN),
particle's generalized coordinate. In the mentioned equation, mpdq/dt is
and graphene. Excellent electrical, mechanical, and
known as momentum derivative of the generalized coordinate [11].
electrochemical properties make them more applicable in the
∇.D=ρ_v (2) field of biosensors. In this study, BP was used due to its ability
to provide sensitive detection of target analytes [19]. Despite all
E = -∇V (3)
the advantages that BP is offering, this material is suffering to
In the Eq. 2, D stands for electric flux, ρ_v is the volume charge provide particle absorption. To overcome this issue, the
density, and ∇ is the divergence operator. Eq. 3 explains the simulated SPR model is using WSe2 by using the sandwich
relationship between E and V in an electric field as E is a assay method as one of the direct immunosensor techniques to
representation of electric field vector, ∇V is the gradient of the electric provide better absorption of electric particles by considering
potential V, and finally, V represents electric potential. WSe2 as a bilayer between BP and Au layer.
Heat transfer is the process that involves 3 mechanisms to transfer Au was used as a coating layer or recognition element of the sensor.
energy in the form of heat from one matter to other using Knowing that in all biosensors, the transducer will detect the
thermodynamic phenomena. These three mechanisms are conduction, electrochemical changes caused by interactions between immobilized
convection, and thermal radiation. Conduction is a slow process as it recognition element and analyte, characteristics including effective
requires a direct transformation of the heat between adjacent catalysis, good biocompatibility and excellent conductivity, high
molecules. Convection is a faster process in comparison with density, and surface-to-volume ratio, made Au to be the best candidate
conduction as it refers to the movement of heat by a fluid. Thermal as coating layer in the purposed biosensor to provide a better surface
radiation transfers heat by employing electromagnetic waves [14]. reaction [20]. Using the Kretschmann configuration is highly
The process of heat transfer can be described by the following formula: dependent on the thickness of the layers especially the thickness of the
→
d z ρC p u .∇T + ∇=
.q d z Q + q 0 + d z Q ted (4) metal/magnetic nanoparticle. Table 1 represents the thickness and
respective thermal conductivity used for each of the layers. As for the
q=
− d z k∇ T (5) thickness of BP and tungsten diselenide layers, their thickness was
L. Ayache et al. SYNTHESIS AND SINTERING 4 (2024) 124–129 127

within the sample recognition element and analyte. In this

method, the output can be represented in either an exothermic or
endothermic shape. In the exothermic process, heat or energy is
generated, and the energy of electrical particles is lower in the
product or output in comparison with the input. In contrast, in
the endothermic process, the energy of heat is consumed; and
the energy of output is higher than the energy of the input for
electrical particles [22]. Compared to optical-based biosensors,
colorimetric-based biosensors have lower sensitivity but higher
accuracy. The proposed model combines optical and
colorimetric biosensors to cover both characteristics.

3. Results and discussion

The simulation results provide profound insights into the

behavior and performance of the biosensor, which incorporates
a variety of materials. The counterclockwise rotation of the
electric potential distribution (-4.7596E-17 rad/s) shown in Fig.
3a emphasizes the intricate interactions between the biosensor
Fig. 2. The resultant mesh of the proposed model.
layers. This phenomenon may be caused by the unique electrical
properties of materials such as black phosphorus and WSe2,
which influence the overall electric potential distribution across
determined by their scaling factor, which for BP is G × 0.53 nm and for the biosensor surface.
WSe2 is L × 0.7 nm. Respectively, thicknesses of 42 nm, 40 nm, and Surface temperature variations, as demonstrated by the simulation
0.589 nm were used for Au, Fe3O4, and N-BK7 glass (prism). Due to (max/min surface temperature), are critical for optimizing the
the small thickness of the magnetic nanoparticle (40 nm), the generated biosensor's thermal management. Temperature differences between
evanescent wave at the prism exists as the surface plasmon (SP) at the layers, possibly caused by thermal conductivity variations, highlight
metal layer [16]. Where the higher thickness of the Fe3O4 layer could the importance of precise temperature control in improving
result in a damping effect and a lower thickness will result in complete biomolecular interactions and detection sensitivity.
absorption of the particles at the indicated layer [16]. Heterogeneous conductive heat flux across the biosensor surface
The thickness of each material in the biosensor influences the (min/max scatter surface conductive heat flux = 1.41421) indicates
propagation of surface plasmon waves and the penetration depth of non-uniform heat dissipation properties, which may affect thermal
electromagnetic fields, affecting the sensor's sensitivity to biomolecular stability and biomolecular binding kinetics [23]. Understanding these
interactions. variations in heat flux is critical for reducing thermal gradients and
2.4. Particle propagation and detection maintaining consistent biosensor performance.
The eigenfrequency of the biosensor system (-7.5579E-18 Hz), shown
To describe the physic phenomena used in the model, ensure the in Fig. 3b which represents its natural oscillatory response, indicates
accuracy of the detected analyte because of the interaction of analyte complex dynamics influenced by material properties and layer
and recognition element, and also for computational efficiency, a finer configurations. Damped oscillations, as indicated by the imaginary
mesh shown in Fig. 2 was used to break the geometry model into component, reflect dissipative effects within the biosensor, which may
smaller parts to facilitate numerical expression of partial differential influence its dynamic response to external stimuli and biomolecular
equations (PDEs) to describe physical phenomena [21]. interactions [24].
Colorimetric is a type of biosensor based on thermodynamic rules in The distribution of the electric field norm across the biosensor layers
which the output is in the form of heat as the result of interactions provides information about the electromagnetic behavior required for
biomolecular sensing. Variations in electric field strength can affect the
efficiency of biomolecular binding and detection processes,
Table 1. Thickness and thermal conductivity of the used materials in
emphasizing the importance of optimizing the electric field distribution
the proposed structure.
for better sensing performance [25].
Localized temperature gradients within biosensor layers (max/min
Thickness of layers Thermal conductivity
Material point temperature normal, x-component (K)) may have a significant
(nm) (W/(m.K))
impact on biomolecular interactions and detection sensitivity.
BP G × 0.53 60
Understanding these gradients is critical for optimizing biosensor
WSe2 L × 0.7 1.1 design and operation, resulting in accurate and reliable detection of
Au 42 317 target analytes.
Fe3O4 40 5
By thoroughly analyzing these simulation results, valuable insights into
the complex interplay of material properties, thermal dynamics, and
N-BK7 0.589 -
electromagnetic behavior within the biosensor are obtained.
128 SYNTHESIS AND SINTERING 4 (2024) 124–129 L. Ayache et al.

a)

b)

Fig. 3. a) Result of electric potential and b) result of electric field norm. Both figures include min/max temperature.

providing a more comprehensive detection mechanism that improves

4. Conclusions biomolecular interaction measurement accuracy. This multi-material
and multi-modal biosensing strategy demonstrates the potential for
This study describes the successful simulation of an advanced SPR developing next-generation SPR biosensors with improved
biosensor with Comsol Multiphysics, resulting in significant performance, with significant implications for biomedical and
sensitivity and accuracy improvements. By combining optical and environmental monitoring applications.
colorimetric biosensing techniques, the model takes advantage of their
synergistic effects to achieve superior performance. Key materials used CRediT authorship contribution statement
in the design include black phosphorus, which improves sensor
sensitivity due to its exceptional optical properties; WSe2, which Loujayn Ayache: Validation, Data Curation, Visualization, Writing-
contributes to increased sensitivity and responsiveness; Au, which original draft.
ensures robust plasmonic activity; Fe3O4, which adds a magnetic Kiana Mahtabi Nourani: Conceptualization, Methodology,
dimension to sensing capabilities; and N-BK7 glass as the prism, which Investigation, Writing-review & editing.
provides a stable and reliable substrate for the sensor. Shahla Azizi: Project administration, Supervision, Writing-review &
The novel combination of these materials and sensing approaches editing.
overcomes the limitations of traditional single-method sensors,
L. Ayache et al. SYNTHESIS AND SINTERING 4 (2024) 124–129 129

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