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Index a Azadirachta indica aqueous leaf extract Actinobacteria 47 55 actinomycetes 51–52 azimuthal skin friction 139 adipose derived stem cells (ADSCs) 159 b Adomian decomposition method Bacillus methylotrophicus 47 (ADM) 124–126, 130, 139, 140 bacterial biofilms 61 AgNPs + antibiotics 67 Beorhaavia diffusa extract 54 algae 47–48, 113, 129 biochips and microarrays 5 Alternaria solani 49 bioconvection 113 alternative nanofluid models 140 Lewis number 115–116 Alzheimer’s disease (AD) 150–152 Péclet number 116 antimicrobial food packaging biofilms see also biosynthesized 70–72 nanobullets NPs against 59 antimicrobial nanomaterials biogenic selenium nanoparticles 61 antimicrobial food packaging 70–72 biological chemoreceptors 89 disinfecting medical implant and biological sensing 89–92, 94 devices 70 biomarkers 4–6, 23 personal care products 73 biosensors 1, 23, 33, 70, 91, 92, 96 tissue scaffolds 69–70 biosynthesized nanobullets water disinfection 72–73 actinomycetes 51–52 wound dressing materials 68–69 algae 47–48 antimicrobial potential of nanoparticles antimicrobial nanomaterials 68–73 55–57 antimicrobial potential of artificially intelligent (AI) nanoarrays nanoparticles 55–57 6, 7 biological synthesis scheme 45 artificial red blood cells 147 efficient carrier of traditional Aspergillus sp. antibiotics 65–68 niger 49 fungi 48–50 terreus 49, 50 growth 45 astral microtubules 175 interaction with cell membrane atomic force microscope (AFM) 164, 57–58 166, 178 interaction with proteins 59 autografting 156 microorganisms 45–47

Computational Approaches in Biomedical Nano-Engineering, First Edition. Edited by Ayesha Sohail and ZhiWu Li. © 2019 Wiley-VCH Verlag GmbH & Co. KGaA. Published 2019 by Wiley-VCH Verlag GmbH & Co. KGaA. 280 Index

biosynthesized nanobullets (contd.) Caulerpa racemosa 48 nanosilver 63–65 cell cytoskeleton 175 oxidative stress 58–59 ceramic nanoparticles 232 plants 52–55 cerebral palsy (CP) symptoms 153 quantum confinement effect 44 ChemFET sensors 96 reactivity against biofilms 59–62 chemoreceptors 89 stabilization 45 Chlorella Pyrenoidosa 48 surface area to mass ratio escalation cilia 255, 258–261 44 circumferential local skin friction 136 top-down approach 44 Cladosporium oxysporum 49 yeast 50–51 computational methods biotechnology 10, 15, 27, 32, 33, 35 drug targeting 11 biot number 129, 134 electrical activity in cardiac tissue blood–brain barrier (BBB) 38, 11–13 149–154 fringe field effect 13–14 blood ferrohydrodynamics 11, 12 nanoparticle hyperthermia 14–15 bone tissue engineering computational nano-biotechnology 3, autografting 156 15, 26, 27 bioactive nanoparticles 162–163 crack instability 166 components of 156–159 C-reactive protein 90 mechanical strength, scaffold Cu+blood nanofluid 248 163–166 Cucurbita pepo 52 musculoskeletal reconstruction 156 cytoskeleton 9, 173, 175, 192 repairing bone defects 156 scaffolds 159–162 skeletal system 156–159 d bottom-up approach 44, 45 damper-based membrane model, RBCs Brownian dynamics (BD) 197, 214 197–198 Brownian motion parameter 118, 261, dendrimers 33, 148, 152–154 267–269, 273 deoxyribonucleic acid (DNA) 1, 4, 5, 9, Buongiorno MIT model 117–118 15–18, 24, 26, 27, 33, 56–59, 63, 65, BVP4C 126 97, 100, 101, 163 detection via semiconductor c nanocrystals 5–6 calorimetric sensing 94 diffusiophoresis 117 cancer 1, 4, 5, 8–11, 15, 32, 73, 92, 152, discrete element method (DEM) 210 154, 192, 233, 257 discrete-particle (DP) 201, 203, 212, carbon based nanoparticles 231–232 213 carbon dioxide sensing 89 disinfecting medical implant and carbon nanotube(s) 37, 98, 148, devices 70 152–154, 163 disk stretching 128, 129, 135, 138, 139 carbon nanotube field-effect transistor dissipative particle dynamics (DPD) (CNTFET) 104–107 197, 199 cardiac tissue engineering 11, 155 continuum-based methods 199 cardiovascular diseases 155 fluids in 199 cartilage 147, 156–160, 162 MD 199 Casson model 230 multiple RBCs motion 207–210 Index 281

single RBC motion 206–207 f docking procedure 182 Fabry–Perot interferometer 100 drug delivery system 10, 32, 152, fertilization 256, 257, 264, 273 230–231 fibrochondrocytes 159 drug delivery via hyperthermia 9–10 finite difference method (FDM) drug targeting 11 Adomian decomposition method Dufour effects 117, 258 124–125 Gauss–Lobatto quadrature 126 e Keller Box method 123 effective density of nanofluid 120, 234 nakamura tridiagonal scheme 124 effective dynamic viscosity of nanofluid RBCs 199 120 finite element method (FEM) 122 Eichhornia crassipes 52 RBCs 199 Einstein–Stokes’ model 118 finitevolumemethod(FVM),RBCs electrochemical sensors 95, 96 199 electromagnetic nanofluid Flavobacterium branchiophilum 54 bioconvection Falkner–Skan slip flexural rigidity, microtubules 177 flow 126 fluid mechanics electronic tongue 28 Casson nanofluid 237–239 electron motility 106 cauchy stress tensor 239, 240 endosymbiotic bacterium 47 definition 227 enzymatic sensors 95 drug delivery system 230–231 ETHICBOTS 35, 39 heat transfer treatment 233–234 eukaryotic cells 174 homotopy structure 236 Evans (EV) law 194 law of conservation of energy 228 extracellular nanoparticles synthesis law of conservation of mass 228 46 law of conservation of momentum extracellular polymeric substances (EPS) 228 59, 60, 62, 69 law of conservation of species Eyring–Powell fluid, human oviduct concentration 228 cylindrical polar coordinates 261 MHD 233 definition 259 nanodrug carriers 231 Dufour effect 258 nanofluid and properties 228–229 energy and mass transfer 264 Newtonian fluid 229 finite two-dimensional flow 258 non-linear operators 236 investigation of 273 non Newtonian fluid flow model, magnetohydrodynamic 258 human blood 229–230 Newtonian heating 258 non-Newtonian nanofluid 243–252 non-Newtonian fluid models 257 tangential stress 227 peristaltic-ciliary transport 264 velocity and temperature 234 Reynolds number 261 fluid-solid interaction (FSI) 184, 199, Soret effect 258 200, 205 streamlines behavior 269 fluid-structure interaction (FSI) 184, Taylor’s approximation of 259 199, 200, 205 vector plots for 269 fringe field effect 13–14 282 Index

full-bridge Wheatstone piezo-resistive Ion-Sensitive Solid Sate Field Effect pressure sensor 98 transistor (ISFET)/ChemFET 95, fungi 8, 48–51, 61, 66 102–104 Fusarium sp. ischemic stroke 151, 152 oxysporum 49 isothermal specific heat capacity 118 semitectum 49 j g Jeffery–Hamel (diverging/converging) Gauss–Lobatto quadrature 121, 126 slip flow problem 119 giant magnetoresistance (GMR) sensors 8–9 k gold nanoparticles 232 Keller box method 123 Grashof number 235, 245, 251 green fluorescent protein (GFP) 92 l green technologies 113 lattice Boltzmann (LB) 197 GROMACS 180, 181 lattice Boltzmann method (LBM) kinetic nature of 203 h LGA 203 macroscopic quantities 204 Hartmann number pressure 251 multiple RBCs motions 211–212 heat shock proteins (HSP) 9 Navier Stokes equation 203 heat transfer 114, 116, 124, 139, RBC suspensions motion 212 233–234, 257, 273 single RBC motion 211 Hippophae rhamnoides Linn 54 lattice-gas automata (LGA) 203, 204 homotopy perturbation method 121, lithography 25, 177 248, 263 homotopy perturbation method (HPM) m 121, 248, 263 machine learning 10, 15–18 hybrid models 15 magnetic nanoparticles (MNP) 2, 10, hydrodynamic stability models 114 233 hydrophilic polysaccharides 60 magnetic resonance spectroscopy hydroxyapatite/nanosilver ribbon imaging (MRSI) 16–17 composite 70 mechanism of action (MoA) for sensing hypergeometric function 239 calorimetric sensing 94 chemical 95 i electronic 95–98 immersed boundary method (IBM) mechanical 98–99 28, 197, 205, 213, 215 optical 100 information and communication piezo-electric sensing 94 technologies (ICT) implants 36 single molecule detection tagging inorganic nanoparticle (NP) 148 sensor design 100–101 intracellular nanoparticles synthesis thermal energetic 101–102 47 medical sensing technology 91 intrauterine inflammation 153, 154 metabolic inter-relations 15 Ion-Sensitive Field Effect Transistor metallic nanoparticles 8, 46, 62, 66, 69, (ISFET) 92, 96 72–74, 232 Index 283 microbial cell wall 46 nano-bioconvection nonlinear microorganisms 8, 45–47, 50, 55, 63, boundary value problems 122 68, 72, 113, 115, 116, 122, 126, 128, nanobioelectronics 32 129, 134, 138, 139, 155 nanobiomechanical model 180–187 microtubules nano-biotechnology 1 added mass effect 184–186 disease diagnosis 3–8 analytical and computational research drug delivery via hyperthermia 178–179 9–10 assembly and disassembly of giant magnetoresistance sensors 175–176 8–9 astral microtubules 175 treatment 8 cell cytoskeleton 175 nanobots 26, 38 cytoskeleton 173 nanodevices 1, 2, 10, 11, 25, 27, 28, 33, dynamic instability 179–180 40, 48, 153 experimental researches 176–178 nano-digital devices 36 external diameter 174 nanoelectronics 24, 28, 30–31 finite element method 187 nano-Eyring–Powell fluid FSI 184 metachronal wave 258 GROMACS 181 nanofluid 257 molecular dynamics 180–181 peristaltic-ciliary flow 263 molecular mechanic model 186 peristaltic–ciliary transport 258 molecular structural mechanics sinusoidal wave 258 method 181–186 nanofactories 28 nanobiomechanical model 186 nanofiber scaffolds 160 polar polymers 174 nanofluid(s) 14, 15, 116–124, 126–140, rail, vesicles movement 175 186, 228–229, 234–252, 257, 260, single, double and triple columns of 267 175 nanofluid effective heat capacity 120 tubulin 174 nanofluid effective thermal conductivity MNP-based hyperthermia 10 120 molecular dynamics (MD) 118, 178, nanofluid heat capacity ratio 118 199 nanofluid Jeffery–Hamel flow 119 molecular machine systems and medical nanofluid thermal diffusivity 120 nanorobots 33 nano-food packaging 71 multi particle collision dynamics nanoformulated antimicrobial drugs (MPCD) 197, 199, 212, 213 152 multi-physical nano-bioconvection nano-formulations and nano-devices 2 flows 114 nanomaterials 1, 4, 26, 33–36, 39, 43, multi-physical nanofluid bioconvection 45, 49, 50, 68–73, 147–149, 231 BVPs 126–140 nanomedicine 1, 28, 30, 32–34, 147, musculoskeletal reconstruction 156 148, 152, 154 nanopanels 24, 28–30 n nanoparticle hyperthermia 14–15 nakamura tridiagonal scheme (NTS) nanoparticles 124 for biomarkers 4–5 nano-bioconvection 114, 122–124 carbon 231–232 284 Index

nanoparticles (contd.) nanorobotics 26 ceramics 232 nano-scale DNA devices 26 drug carrier 231 nanoscales 39 magnetic 233 neurotechnology 35 metal 232 pharmaceutical and biomedical polymeric 233 companies 23 synthesis routes 2 polymerase chain reaction 27 nano-photovoltaic panels 29 privacy 37 nanorobotic architecture, medical target robust sequence-dependent rotary identification 32 DNA device 26 nanorobotics 26 security 37 for brain aneurysm 32 smaller machine tools 25 for laparoscopic cancer surgery 32 synthetic DNA molecules 26 for treatment of patients, artery nanotechnology in medicine occlusion 32 cancer 154 nanoscales 39 carbon nanotubes 148 sensor technologies 6 cardiovascular diseases 155 nanosensor systems infectious diseases 154–155 applications 92 nanoplatforms 149 biological sensing 89 nervous system 149–154 carbon nanotubes field effect pneumology 155–156 transistor (CNTFET) 104–105 safe-by-design delivery of drugs 149 ISFET/ChemFET 102–104 safety and toxicity, human cell 148 mechanism of action (MoA) for nanotherapeutics 1 sensing 94–102 Navier–Stokes equations 11, 120, 201, sensing targets 93 203, 210, 213, 230, 233, 257 static vs. dynamic events/sensing neo-Hookean (NH) law 193, 194 93–94 nanosilver 58, 63–65, 70, 73 nervous system nanosolar 28 BBB 149 nanotechnology cerebral palsy (CP) symptoms 153 atomically precise materials 26 intrauterine inflammation 153 bio-assembled components 39 ischemic stroke 152 discovery of the deoxyribonucleic lymphoma 152 acid 24 nanoscaffold 153 environment 37–38 neurocysticercosis 153 equity 37 neurotechnology 35 information and communication Newtonian fluid 191, 208, 229, 230, technologies implants 36 257, 258 medicine-friendly efficient healthcare non-Newtonian biological fluid 191 32–34 non-Newtonian fluid metaphysical 38 blood 229–230 mobiles 34 Eyring–Powell fluid 257 nano-digital devices 36 mechanics 230 nanoelectronics 30–31 model 140, 191 nano-meter length scales 25 non-Newtonian nanofluid nanopanels 28–30 hydromagnetic 243 Index 285

irrotational, laminar and steady flow polymerase chain reaction (PCR) 27 243 polymeric nanoparticles 233 non-zero normal stress 191 polymethyl methacrylate (PMMA) 69 non-zero radial velocity 138 Pozrikidis’s formulation 194 Novosphingobium sp.HG-C3 47 primary cilia 255 nucleation 45, 53, 54, 157 protein data bank 181 Nusselt number 129, 137, 139, 235, protein-rich Newtonian fluid 191 237 Proteus mirabilis 48 Pseudomonas stutzeri AG259 46 o Ocimum basilicum 54 q optical pressure sensor 100 QD-based enzyme activity organ/tissue/cell/sub-cell levels 2 measurement 5 osteomyelitis 61 QD-based nanosensors 5 oviduct 255, 256, 258–261, 263, 264, quantitative structure-activity 267, 273 relationships (QSARs) 4 quantum dots (QDs) 5, 43, 154 oxidative stress 57–59, 65, 69, 154 quasi linear bioconvection flow 122 p quickscore 10 particle-based methods, RBCs r advantages and disadvantages of radial local skin friction 136, 139 215 red blood cells (RBCs) discrete-particle (DP) 212 biconcave, disc-shaped cells 192 DPD method 206–210 biomechanical properties of 192 LBM method 211–212 DPD 199–200 moving-particle semi-implicit (MPS) features of 192 212 hyperelastic and viscoelastic 192 multi-file flow 206 IBM 205 multi-particle collision dynamics LBE 203–204 (MPCD) 212 mesh-based methods 199 SDPD methods 212, 213 nanoparticle dispersion 213–214 single file motion 206–207 particle based methods 205–213 SPH method 210 plasma 191 pellistors 101 shape of 192 Penicillium glabrum 46 shell-based membrane models periodontitis 61 193–196 personal care products 73 SPH method 201–203 photovoltaic effect 29 spring and damper-based membrane physical biomarkers 4 model 197–198 Pichia jadinii 50 spring-based membrane models piezo-electric sensing 94 196–197 plants 8, 29, 49, 52–55, 74 Rhodococcus spp. 47 Plumbago zeylanica extract 55 Rhodosporidium diobovatum 50 pneumology 147, 155–156 ribonucleic acid (RNA) 4, 27, 33 polar polymers 174 Rivlin–Ericksen tensor 240 polyamidoamine dendrimers 153 Rosseland approximation 238, 247 286 Index

s Terminalia arjuna 52 Sargassum sp. terpenoids 54 bovinum 48 theranostic platforms 152 muticum 48 thermal enhancement ratio (TER) 9 sensing targets 93 thermophoresis 117–119, 129, 134, shear-dependent viscosity 191 257, 264, 273 shear stress 129, 130, 192, 227, 228, parameter 119, 129 230, 257, 261 thermophoretic diffusion coefficient shell-based membrane models, RBCs 119, 128 193–196 time scales for biological processes 3 Sherwood number 129, 137, 139 tissue scaffolds 69–70 Shewanella oneidensis 46 Tiwari–Das model 117, 119–121 silicon-based nanoscale biosensors 96 tracheal cartilage injury 162 single fluorescent microtubules, transient concentration gradient 118 dynamics in living cells 179 Trichoderma harzianum 49 single molecule detection tagging sensor tubulins 174, 178, 179, 181, 182, 184 design 100–101 smoothed dissipative particle dynamics u (SDPD) 199, 212–214 ultra-sequencing techniques (NGS) 15 smoothed particle hydrodynamics unstable biological circuits 15 (SPH) 199, 201–203, 210 upconversion nanocrystals 5 Soret effect 258 spring-based membrane models, RBCs v 196–197 vertical gyrotactic bioconvection 115 Staphylococcus aureus 48, 62, 154 volatolomics 6–8 static vs. dynamic events/sensing von Kármán swirl bioconvection 93–94 nanofluid model 126–140 Stefan blowing 126 parameter 129 w Stefan–Boltzmann constant 238 water disinfection 72–73 strain energy density 164 williamson fluid 247 super bacteria 55 worm-like chain (WLC) model 196, superparamagnetic iron oxide 197 nanoparticles (SPIONs) 151, 152 wound dressing materials super paramagnetic nanoparticles 2 65, 68–69 support vector machines (SVM) 16, 17 wrap-around gate CNFET 104 surface heat flux 129, 130 surface mass flux 129, 130 y surface motile microorganism flux Yarrowia lipolytica 50, 51 129, 130 yeast 50–51, 73, 92 Yeoh law (YE) 193, 194 t tangential stress 227 z Taylor’s approximation 259 Zn–CuO nanoparticles antibiofilm tendons and ligaments 157, 159 action 71