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Application of molecular interaction engineering in nanoscience and drug design
- 1. Application of molecular interaction engineering in nanoscience and drug design Prof. Man Singh Dean, School of Chemical Sciences, Central University of Gujarat, Gandhinagar Email: mansingh50@hotmail.com Lecture on 1st March 2019 Delhi Pharmaceutical Sciences and Research University DIPSAR campus opp. Sainik Farms MB Road New Delhi Friccohesity: Science of Molecular Interaction Engineering
- 2. HR-TEM images: PVP capped Gd2 O3 NRs at (a) 25kX (b) 40kX (c) 600kX (d) 800kX resolutions. PVP and # electrons in f block engineered the 1D growth of LNR 1D PVP-LNRs morphology is governed by PVP interaction with crystallographic facets along rod sides to provide an access to rod ends for growth making their geometry functional vis-à-vis protein structures Gd2 O3 NRs 64Gd3+ = 4f7 6s0
- 3. HR-TEM images: PVP capped Sm2 O3 NRs at (a) 40,000 X (b) 20,000 X (c) 10,00,000 X (d) 5,00,000 X resolutions Sm2 O3 NRs 62Sm3+ = 4f5 6s0
- 4. HRTEM images of PVP capped Pr2 O3 NRs at (a) 80kX (b) 500kX (c) 10,00kX (d) 8,00k0X resolutions 59Pr3+ = 4f2 6s0
- 5. SPR (Surface plasmonic response) green research method Pristine NPs
- 6. Ag NPs SPR
- 7. Accidental model for in situ free radical of glycerol Vision to recognize ongoing changes otherwise accidental changes are not sensed and do not lead to novel ideas Color changes led to search for changes
- 8. H2SO4 = 1210.10 nm H3PO4 = 658.55 nm HCl = 751.87 nm Nanometer size of acids in water Electronic repulsion allows shorter sized hydration sphere
- 10. Friccohesity of antioxidants nanoemulsion with cationic surfactant with 10% aq-DMSO Dodecyltrimethyl ammonium bromide (DTAB),tetradecyltrimethyl ammonium bromide (TDTAB) and hexadecyltrimethyl ammonium bromide (HDTAB) with flavonoids Quercetin (Q), apigenin (A) and naringenin (N) Friccohesity (σ) order WBDN>WBDA>WBD>WBDQ 1π bond 2π bond Phenolic 5-OH 2π bond Phenolic 3-OH Phenolic 3-OH
- 11. The σ value for WBD(a), WBDQ(b), WBDA(c) and WBDN(d) with DTAB, TDTAB and HDTAB at T = 298.15(◊), 303.15(□) and 308.15(Δ) WBD WBDQ WBDA WBDN Friccohesity Friccohesity Friccohesity Friccohesity HDTABS senses apigenin
- 12. Friccohesity of micellar solvodynamics for entrapping particles hydrophobic tailDye not soluble Dye soluble Phobic-phobic NE could dissolve cholesterol CF hydrophobic tail Like dissolves like • Molecular self assembly exists • CFs of philic and phobic have natural tendency to join separately out of scattered area • They face solvent structural networking causing FF CF Continuous philic domain CF of water molecules
- 13. Engineering dye homogenization via micelle in O/W nanoemulsions • Preferential affinity of solvodynamic system with friccohesity • Hydrophobic dye in Pr-CMC settles at bottom due to insolubility • CMC of surfactant saturates surface and aggregates as micelles in solution • Micelles have a hydrophobic core and solubilize a hydrophobic dye in core • Dye in micelle is solubilized and produces variable colors Detergents and soaps remove oil and grease stains from utensils or clothes
- 14. Friccohesity determines kinetics of metallic NPs deposition in reverse micelle: Likes attract like (CF) Non-polar oil Heads • RM carries polar material in non-polar medium like CaO or MgO in burner fuel to prevent oxidation by SOx • RM captures metallic NPs • RM spreads fluorescent dyes for trapping solar radiation in thin film formation • Metallic NPs distribution in organic mixtures Tails CaO/MgO NPs, Fe(OH)3 Diffusion FF Cohesive forces Frictional forces Similar to crystal motif
- 15. DPPH: TTDMM (Trimesoyl tri-dimethylmalonate ester) TTDM furnishes 3 H+ Dendrimer 2,2-diphenyl-1-picrylhydrazyl
- 16. Pandya S. R. & Singh M., RSC Adv., 2016, 6, 37391–37402 | 37391 Due to CF the MNPs entered void spaces of dendrimer Delocalization model for MNPs and dendrimers O=Fe-O-Fe-O-Fe=O Develops cavity
- 17. 150 µM MNPs % dispersion with DMSO-organic acids and 1st tier dendrimer
- 18. Pandya S. R. & Singh M., RSC Adv., 2016, 6, 37391–37402 | 37391 MAD = (MNPs added dendrimer) allows sustainable release
- 19. MP of 1st tier dendrimers vary = 1.0:1.12:1.56:1.79:1.81 MP 126.94 MP 141.98 MP 198.42 MP 227.68 MP 229.14 +I effect
- 20. Lower ST of TTDHM as compared to TDMM inferred that the higher hydrophobic forces were responsible for lower cohesitivity Behave as nonionic surfactants TTDPM TTDHM TTDBM TTDEM TTDMM Friccohesity i i d i d µγ τΣ−= Larger surface area and lowest size
- 21. • The η depends on their structural constituents so π- conjugated electron releasing cores & dialkyl chain affect entanglement within DMSO: Fluid dynamics Newtonian liquid. Solvent entanglement entering structures water into void spaces Viscosity # CH2: TTDMM (0), TTDEM (6), TTDPM (12), TTDBM (18) & TTDHM (30) TTDMM -EM -BM -PM -HM Survismeter η determines tire
- 22. UV-vis absorbance: SB & calibration curve λmax 245 λmax 285 λmax 330 Standard calibration curve ( ) 100% X substratinSBofAmount releasedSB releaseDrug =
- 23. Silibinin release profile from dendrimer Greater control over release profile Release studies indicate: •Initial burst release of SB •Sustained release over several h in PBS + 10 % DMSO •SB Release from TTDMM > TTDHM Sustainable drug release InitialburstreleaseofSB
- 24. # -CH2- decides fate of release SB release Increase in CH2 Decrease SB release (%) rate Multipotential = LDF Brownian motions 100% Sb from liquid to intramolecular phase Linear phenomenological process
- 25. Enhanced water-water and ethanol-ethanol CF squeezed out water molecules Unique case where surface energy of CTAB in NE increases on increasing temperature Curcumin dispersion in O/W NE with eth, gly, surfactant
- 26. Survismeter science at a service of farmers Friccohesity a boon for farmers. WSA = working surface area CF = cohesive forces. AF = Adhesive forces
- 27. Friccohesity for natural nanodust cleaning • Lotus leaf is holiest in oriental religion (Roman Paganism) • Leaf remains dry & clean • As water drops on rolling off on waxy surface take away dust particles along with them • With higher CF the drop washes away dirt particles as it goes down • It is bumpy that repels out water • No hindrance is applied on rolling particle so drops come down with dust particles
- 28. Fluid dynamics: Particle carrying capacity and activity • Bionanoemulsion formulations of functional molecules work as biofluids for better oxygen carrying capacity • NEs affect heat dissipation and could bind O2 which deals with heat dissipation and oxygen from air • Friccohesity predicts working ability of NEs keeping residual forces in reversible mode • Medium/solvent and constituents promote solute-solvent interactions over self-binding need molecular surface area (SA) ( ) ( ) ( )KEmvmghEPVqEFrEqrF dy dv 2 2 1 .).(. ===== Friction coefficient η = constant
- 29. dTtmsq pCqor, =∆= J4.181calorie = -1 disruptionHB mol5010E KJ−= dy dv AFor η=∝ dy dv AF dy dv AF η= Shear stress Stress and strain
- 30. Constant rate for friction coefficient on unit surface area of rigid capillary wall
- 31. Science and experimental potential Fig.1 • PCP sensing of NEs • Survismeter: Robust PCP sensor for NEs • Friccohesic control of soft matter for materials functionalization • Estimation of Philicphobic and solvodynamics • Genentech and easy to operate • Physicochemical activities of structure breaking and making
- 32. Survismeter best model for drug dissolution, binding study Densities, surface tension, viscosity of blank and drug loaded Formulation are used to estimate drug activity with equations 100dispersioncurcumin% formationunloaded x formationunloadededencapsulat − = γ γγ 100curcumin% formationunloaded xedencapsulat formationunloadededencapsulat − = η ηη 100curcumineofBinding% formationunloaded xdncapsulate formationunloadededencapsulat − = ρ ρρ Effective binding and transportation of curcumin is best studied with survismeter due to similarities of capillary flows
- 33. Reengineering of water structure Stretchable membrane of water around periphery for holding air Salts increase surface tension
- 34. Mechanism of surface tension measurement via adhesive forces and cohesive forces • Had there been no cohesive forces, no measurements were possible • In case of NE the cohesive forces are partitioned into individual canonical structure of forces at nanoscale • So it forms more numbers of pdn because of larger surface area Mechanism forming pendant drop explain adhesive and cohesive forces
- 35. Technology to generate new science Nonobvious
- 36. Accuracy and resolution of measured properties 1. Surface tension (±10-2 mN/m) or energy (±10-2 mJ/m2 ) 2. Interfacial tension IFT (±10-2 mN/m) 3. Wetting coefficient (±10-10 kg/Ns) 4. Surface area (± 10-2 m2 /mol) 5. Viscosity ( ± 10-4 mPa.s) 6. Activation energy (± 10-4 mJ/mol2 ) 7. Friccohesity ( ± 10-6 s/m) Dual Force Theory 8. Molecular interacting efficiency 9. Surface tension and viscosity study of volatile, inflammable, carcinogenic samples 10. Solvent binding 11. Size of micelles
- 37. Quattropole concept and virtual valves Trajectories are at 45° Track spatial orientation of molecules
- 38. Melamine formaldehyde polyvinylpyrrolidone polymer resin MFP: Superadhesive macromolecule PVP mol weight: 10,000, ,29,000, 40, 000, 55,000 g/mol Singh M., Kumar Vinod, J. Appl. Polym. Sci. 114, 1870, 2009 MFP polymer resin of 1 : 16 : 1 ratio of melamine, formaldehyde (CH2(OH)2, polyvinylpyrrolidone, respectively, by condensation polymerization at 6.9 pH Multiple lone pair of electrons
- 39. Superadhesive: Multifunctional structure Unique rheological potential for nanothin films, APPS
- 40. high resolution due force coefficient high resolution due force coefficient Distinguishes mass ratios FF + CF = 1 Stoichiometric control: Friccohesity role of two forces
- 41. Does not distinguishes stoichiometric ratios CF & IMF are valuable Dimension and orientation involved in measuring CF express molecular activities
- 42. Amplifying resolution to reflect molecular interaction engineering • The t data defines shear stress and strain due to interaction by weakening the cohesive forces • Hence n data also contribute to the t values • So a shear generation induces variations in t which also directly affects the CF • It is not considered for viscosity calculation • But in case of friccohesity, it is considered even for minor changes in shear and coagulating activities • Hence above mechanism amplifies the resolution
- 43. Friccohesity identifies hydrophobic like surfactant (CF) & hydrophilic like glucose (FF) processes of ILs = 00 0 n n t t σσ B/t & 0.0012(1-ρ) range from 10-7 to 10-6 , & are omitted then equation becomes as = 00 0 nt tn σσ ( )[ ]tn nt 00 0σ σ = cM nt = 00 0σ ( )[ ]tnM c=σ Or Or Mansingh equation ( )[ ]tn∝σ Proportionality constant noted as Mansingh constant Kinetic energy corrections Buoyancy corrections ( ) inPT n n t B t t ,,00 0 10012.0 −± ±= ρσσ
- 44. DFI: Nanostructure of Pt(iv) complexes MBA= [bis(phenylmethanamine) tetrachloroplatinum] M2CBA =[bis(2-chlorophenyl) methanamine) tetrachloroplatinum] > 10 mM showed no effect on MCF-7 cell line No Cl- ion Cl- at 2 position causes no effect For shorter distance, electronegativity of Cl- affects bonding activity of -NH2 with DNA base pair CF based Survismeter experiments
- 45. M3CBA= [bis(3-chlorophenyl) methanamine) tetrachloroplatinum] M4CBA= [bis((4-chlorophenyl) methanamine) tetrachloroplatinum] M4FBA =bis((4-fluorophenyl) methanamine) tetrachloroplatinum < 10 mM showed effect on MCF7 cell line Cl- at 3 position showed slight effect F- at 4 position showed similar effect as of Cl- at 4 position Cl- at 4 position showed considerable effect Electronegativity Steric hindrance
- 46. Interaction dynamics of o, m, p chloro positions • The ortho, meta and para positions of Cl atoms on diphenylmethanamine tetrachloroplatinum (DPMA-TCP) induce dipole moment, electrostatic activities due to pi conjugation of benzene ring • Cl anion is electron withdrawing so its positions affects interacting activities with DNA base pairs for their intercalations • Probably the para position of chloro anion causes substantial electrostatic poles that cause dipolar interactions with base pairs • The positions of Cl and O atoms become most influential studies
- 47. • DNA-Drug interaction mechanism • Drug- Friccohesity- Interaction disrupts DNA cohesivity of base pairs • It lowers ST, due to intercalation • It causes higher viscosity • It coincides with anticancer activity of drug Intercalation adenine Thymine H bonding disruption, decreasing γ due to drug attack Anticancer activity, due to drug binding or DFI
- 48. Drug friccohesity interaction: Critical friccohesity state CF=FF CF= between DNA base pairs (A-T & G-C) FF=between DNA base pair &Drug molecule
- 49. Anionic surfactant: Sodium dodecylsulphate Best resolution for CMC Need extra efforts to determine CMC Model based on single force measurements Two force model
- 50. Shift from air to liquid medium: Uninterrupted pdn formation for IFT HDL in air HDL LDL IFT HDL HDL in LDL HDL n n ρ ρ γ γ ρ − = ÷ ÷ ÷ ÷ ÷ Mutual solubilization, hydrate formation Survismeter In air In liquid
- 51. Contribution of π bonds and lone pair of electrons using survismeter. It detects activities of bond of 0.154 to 0.147 nm Three pi bond contribution to IFT with water at NTP IFT of 3 pi bond = 14.32-10.59 = 3.59 mN/m = 3.6/3, = 1.2 mN/m It predict role of 3 pi bonds to induce mutual solubilisations of water and benzene Benzene produces lower friccohesity with stronger CF (γ = 28.88 & η = 0.603) than cyclohexane (γ = 25.3 mN/m & η = 0.93) at 20° C. ∆G0 = -6598.9555 J/mol with a deeper potential energy well i.e. much energy is used for close interaction ∆G0 = -5850.8845 J/mol ∆G0 cyclohexane : ∆G0 benzene = 1 : 1.1279
- 52. Li+ , Na+ , K+ ionic hydration vs mutual solubilization: IFT HB sites increase mutual solubilization
- 53. Ionic constant for wettability: Mutual solubilization . Theoretically extrapolated to 0 mol/kg still CH3COONa induce stronger water holding Higher CH3COONH4 concentrations cause higher activities Theoretical Experimental Experimental Active domain CH3 COONa Ionic field remains constant = 2.4877 ((mN/m)(kg/mol))
- 54. Gibbs energy, J/mol for IPA-water mutual solubilization . CH3COONa strongly disrupts H bonded water utilizing much energy in disrupting and aligning with CH3COONH4 does not strongly disrupts, bind or aligns
- 55. Ionic field and friccohesity favour phase separation Ionic hydration bring water-water molecules together favouring phase separation • Na+ disrupts hydrogen bonded water and develops stronger ionic hydration with stronger ionic field and stronger CF favouring phase separation • But 4H atoms shared with N develop hydrogen bonding and N+ of N+ H4 do not develop stronger ionic hydration • Structure breaker but not maker
- 56. Determining benzene derivatives: Hydrophobicity and hyperconjugation effect Singh M. J. Mol. Liquids 200, 2014, 289 New Toluene, ethyl, propyl and butylbenezen ?? KF does not affects σ and π interaction of toluene increase solubility Toluene Benzene Ethylbenzene
- 57. ∆-Aqu KI-ethyl benzene I- induced dipole hyperconjugation interaction model δ+ δ- Benzene Toluene ethylbenzene Induced dipole inhibits hyperconjugation, mutual solubilization
- 58. Ionic size increases IFT and decreases friccohesity Induced-induced ion dipole interaction 53I = 1s2 2s2 2p6 3s2 3p6 3d10 4s2 4p6 4d10 5s2 5p5 35 Br = s2 2s2 2p6 3s2 3p6 3d10 4s2 4p5 17 Cl= 1s22s22p63s23p5 9F= 1s2 2s2 2p5 Detection induced dipoles
- 59. Robust benzene-water solubilizing cationic surfactant Reveres chemical activities of I- when is with surfactant Hydrophobicity dominate over induced dipoles
- 60. I- induced dipoles hold water inhibiting mutual solubilization 9F = 1s2 2s2 2p5 17Cl = 1s2 2s2 2p6 3s2 3p5 35Br = 1s2 2s2 2p6 3s2 3p6 4s2 3d10 4p5 53I = 1s2 2s2 2p6 3s2 3p6 4s2 3d10 4p6 5s2 4d10 5p5 19K = 1s2 2s2 2p6 3s2 3p6 4S1 Stronger columbic interaction with shorter ions cause less mutual wetting KI strongly engages water KF KBr KI KCl
- 61. SEM micrograph of pepsin without electromagnetic dose Friccohesity driven molecular engineering
- 62. SEM pepsin at electromagnetic dose of 2.5 Ampere & 63 Gauss • , Pepsin with 0.005g% FeCl3 at similar electromagnetic dose Fe3+ = 3d5
- 63. Surface area (1/τ, cm2 /mol) of 0.05 g% pepsin at 1.0, 1.8, 2.1, 2.5 Amp at 22, 35, 47, 63 Gauss with time interval (h, sec), respectively τ = surface excess conc. 1/τ = surface area R = 8.314 J/mol/K, T= 294.15 K γ = 26.084 - 0.5388G + 0.0026G2 (Std eqn.) • Cohesive forces are weakened that increase surface area, pepsin activities and friccohesity • It increased a shear stress and strain ∆γ = - 2.303 RT τ log c ( ) A 18 A 29 2 2 2 N 1x10 aor N 1x10 a a mol 1 aor 1 aor ττ τ ττ τ == = === nm mol m m m mol
- 64. Kitchen chemistry of egg protein in microwave oven It acted as a protein bomb
- 65. Singh M, Bull J. Chem. Edu. 18,2009, 172 Magnetic effect on protein-water binding Magnetic flux Identification of proteins-magnetic field interaction to identify protein Magnetorheological fluids Quattropolar magnetic arrangements to polar peptide bonds Tryptophan Tyrosine
- 66. Cit = Citric acid WC = aqu-citric acid WCH= aqu- citric acid + hemoglobin WCHL2 = aqueous citric acid + Hb + 1-ethyl-3-methylimidazolium chloride WCHL4 = aqu-citric acid + Hb + 1-butyl-3-methylimidazolium chloride WCHL6 = aqu-citric acid + Hb + 1-hexyl-3-methylimidazolium chloride Citric acid IMCLEthylButylCH2 −=− Increase in AC strengthened phobic interactions It develops higher friccohesity leads to higher viscosity ILs increase friccohesity with higher surface area with higher percolating abilities
- 67. Viscosity (η/10−3 kg·m−1 ·s−1 ): IMI of IL with WCH lead to dimeric or polymeric association depending on -R length. −CH2 −of -R assist extensive intermolecular association, whereas −CH2 −, with phobic domain of Hb & Cit, result in 3D structure with higher η. WCHL6 >WCHL4 >WCHL2 > WCH>WC philicphobic groups of Hb are solvated by philic (-OH/-COO -) & phobic groups of Cit, respectively causing a compact polymeric structure WCH > WC. Intermolecular association increases on increasing −CH2 − resulting WCHL6 > WCHL4 > WCHL2 η enhanced with IL is phobic domain conc. Transition is not clearly resolved WCH to WCHIL6 develop Newtonian liquids
- 68. Friccohesity (σ/s·m-1 ): 1-hexyl-3m IL infers in situ coagulation Effective interconversion of CF to FF or vice-versa. Mansingh equation0 0 0 0 t n t n η σ γ = ÷ ÷ (η0, γ0, t0 & n0) & (η, γ, t & n) are solvent and solution viscosity, surface tension, VFT & PDN respectively WCHL6 > WCHL4 > WCH > WCHL2 > WC HMIMCl shows higher interconversion of CF than EMIMCl with WCH, with longer -R electrostatic & van der Waals int acting among Cit, Hb attenuate to make room for hydrophobic groups. WCH > WC Hb with bulkier phobic domain attenuate CF acting within WC & strengthened FF H2O do not react with phobic group except entropic reorientation Temporary in situ IL coagulation
- 69. Hb & ILs (WCH, WCHL2, WCHL4, & WCHL6) the σ shows inversed γ trend but is similar to η. So, two model equations are proposed: (1) dominance of IHbI of Dy3+ & phobic domain of ILs & Hb on IHI. 1σ γ= (2) σ is function of CF develops among –COO- /-OH of Cit & H2O in presence phobic ILs & Hb &, hence eq: 1 cohesive forceσ =
- 70. Poly-N-vinyl pyrrolidone oximo-L-Valyl-Siliconate-POVS Excellent model of hydrophobes Highly useful for acoustics, biosensors structural protein unfolding Atomic tier system Tier 2 Tier 1 TEOS Bull. Korean Chem. Soc. 31, 1869, 2010
- 71. Radii of POVS macromolecule , φ= volume fraction, entangled solvent For dilute solution η is replaced t data only φη η η 5.21 0 +== r 3 4 3 AN r π φ = Larger population stronger cohesive forces size less NA=6.023X1023 Less population weaker cohesive forces size larger φ5.21 0 +== rt t t
- 72. TTDMM + silibinin Per h
- 74. Distinguishes void spaces of TTDMM and TTDEM dendrimer TTDMM TTDEM TTDEM TTDMM TTDMM Surface and bulk shear stresses Constitutional engineering
- 75. Higher friccohesity infers TiO2NPs penetration into in chicken embryo confirmed by ICP-OES • TiO2 as metal oxide NPs interactions with biomolecules and subsequent embryonic toxicity in higher vertebrates is not reported • 10 and 25 μg/ml TiO2 NPs, lower doses, produce higher friccohesity and activation energy due to TiO2 NPs interactions with egg albumen contrary to its 50 and 100 μg/ml with higher molecular radii • Morphometric data of chicken embryo recorded a reduction at all of TiO2NPs doses, but toxicity and developmental deformity (omphalocele and flexed limbs) were recorded at lower doses only • Inductively coupled plasma optical emission spectrometry (ICP-OES) found Ti in chicken embryos
- 76. IONs interactions with Egg albumin inhibited embryo growth • IONs = iron oxide NPs, induce interactions with Egg albumin and 200µg/mL IONs effective • It caused toxicity with egg albumin so no growth of chicken embryo • Inductively coupled plasma optical emission spectrometry (ICP- OES) found Ti in chicken embryos
- 77. 19 days growth of chicken embryo due to TiO2NP percolation
- 78. CMC of Magnus salts: Metallosurfactants Tetradecyltrimethylammonium bromide hexadecyltrimethylammonium bromide Hydrophobicity decides CMC C= 14 C= 16 RSC Advance 2016
- 79. Octyltrimethylammonium bromide: OTAB Decyltrimethylammoniu m bromide: DTAB dodecyltrimethylammonium bromide: DDTAB tetradecyltrimethylammonium bromide: TDATB hexadecyltrimethylammonium bromide: HDATB
- 80. Contribution of n-CH2 for CMC
- 81. • Reaction mechanism of LNRs synthesis • Electronically optimized on Lenard Jones potential scale with difference in electron potential (O) atom supports capping PVP-LNRs grows on nucleation, isotropic and anisotropic growth stages 1D morphology may be formed based on surface energy differences or spatial interactions where different ligands and functional groups bind selectively on crystallographic surfaces. These infer a synthesis of LNRs of unique dimensions Gd2O3, Sm2O3, Pr2O3 (PNRs), in situ PVP capping, Ln2O3 Nanorods, 70 to 100 nm & 8 to 15 nm in width. [59Pr3+ = 4f2 6s0 , 62Sm3+ = 4f5 6s0 ,64Gd3+ = 4f7 6s0 ]
- 82. Gd3+ with highest cd form strongest IHI with H2O. So strengthens IMF with H2O, Pr3+ due to lowest cd develop weaker IMF Gd(NO3)3 > Sm(NO3)3 > Pr(NO3)3 Effect of conc. on γ of Pr(NO3)3 (□), Sm(NO3)3 (■), Gd(NO3)3 (Δ) with WC & WCU at Gd(NO3)3 >Sm(NO3)3 >Pr(NO3)3 64Gd3+ = 4f7 6s0 62Sm3+ = 4f5 6s0 59Pr3+ = 4f2 6s0
- 83. Effect of concentration on σ of Pr(NO3)3 (□), Sm(NO3)3 (■), Gd(NO3)3 (Δ) with WC & WCU at 298.15K WC WCU Gd(NO3)3 > Sm(NO3)3 > Pr(NO3)3 Pr(NO3)3 > Gd(NO3)3 ≥ Sm(NO3)3
- 84. Effect of Rhodamine B on interaction behaviour of lanthanide nitrates with 1st tier dendrimer TTDMM, in aqueous DMSO: A volumetric, acoustic, viscometric, and Conductometric study In absence of Rhodamine B (WDT) In presence of Rhodamine B (WDRT)
- 85. Size of Ln3+ on its ionic field if such changes occur in body Concentration effect of 59Pr(NO3)3 (open square), 62Sm(NO3)3(filled square), 64Gd(NO3)3 (open triangle) in water at 298.15 K on surface 64Gd(NO3)3 > 62Sm(NO3)3 > 59Pr(NO3)3 Gd(NO3)3 Sm(NO3 )3 Pr(NO3)3 1st order 2nd order 3rd order Surface expressions via robust ionic orientations and robust 4f7 5d0 6s0 4f5 6s0 4f2 5d0 6s0
- 86. Size of Ln3+ on its ionic field Concentration effect of 59Pr(NO3)3 (open square), 62Sm(NO3)3(filled square), 64Gd(NO3)3 (open triangle) in water at 298.15 K on surface 62Sm(NO3)3 > 59Pr(NO3)3 >64Gd(NO3)3 62Sm3+ =1s2 2s2 2p6 3s2 3p6 4s2 3d10 4p6 5s2 4d10 5p6 4f5 6s0 59Pr3+ =1s2 2s2 2p6 3s2 3p6 3d10 4s2 4p6 4d10 5s2 5p6 4f3 5d0 6s0 64Gd =1s2 2s2 2p6 3s2 3p6 3d10 4s2 4p6 4d10 5s2 5p6 4f7 5d0 6s0 4f7 5d1 6s0 1st order Sum up model interaction study
- 87. Drug Transportation Mechanism Dendrimer-drug conjugates •Drug gets covalently linked to peripheral functional groups & release of drug becomes enzymatic degradation •Entropic entanglement different friccohesity Jianing M., Bi-Botti C., Disclosures Nanomedicine. 2010, 5(9), 1385 Encapsulation of drug •Hydrophobic internal cavity of dendrimer facilitate encapsulate water insoluble drug •N and O present in internal cavity, form HB with drug Entropic stabilization Steric hindrance conjugation
- 88. Scheme: Synthesis of 1st tier dendrimer More branching units TMC (trimesoylchloride) as central core and a series of dialkyl malonate esters as outermost branching units was used for synthesis 11Na=1s2 2s2 2p6 3s1 11Na+ =(1s2 2s2 2p6 3s0 ) +1e- 2H+ + 2e- = H2 Safest and greenest mode of H2 production as high energy fuel based on Lennard Jone potential
- 89. Hydrophobe TTDMM to superhydrophobe TTDHM • TTDHM acts as superhydrophobe which establishes less contact with water at ~150°angle • TTDHM facilitates binding for more drugs • TTDHM with least water spontaneity produces ∆S<0 making process as nonspontaneous TTDHM with Brownian motion causes endothermic ∆H • TTDHM activity favours drug binding and sustainable release as controlled binding via entropic stabilization • No covalent binding occurs on non-polar scale • TTDHM-TTDHM cluster together and forms micelle 0GS,THG),( >∆∆+∆=∆∆−−∆=∆ STHG
- 90. Ascending hydophobes strength: Friccohesity theory • Water on TTDHM surface exhibits ~150° contact angle • TTDHM superhydrophobe so salts out oil from water • TTDHM superhydrophobe remove non-polar from polar molecules • TTDHM superhydrophobe dissolves fat-loving Physicochemical Synergetics of Liquid Mixtures of Functional Molecules
- 91. TMS 1 H NMR (500 MHz, CDCl3) b a c No spin split TTDMM Different chemical shifts indicates variable activities
- 92. TMS 1 H NMR (500 MHz, CDCl3) a c b d Peak of –CH2- just after terminal -CH3 is less shielded than –CH- of ester. It shows that the delocalization occurs that enhance shielding of H of –CH- Spin split rule = (n+1)TTDEM
- 93. TMS 1 H NMR (500 MHz, CDCl3) ab c ed f TTDHM
- 94. No chemical process with drug Similar protonic environment Separate protonic environment 8.854 ppm H HH 3.493 ppm Several intramolecular chemical activity domains: intramolecular entropy = tentropy Monodisperse molecular activities
- 95. Triazine based dendrimers Singh, M., Yadav, D. Yadav, R. K., J. Appl. Poly. Sci, 110 (5) 2008, 2601. 2,4,6-tridiethylmalonatetriazine TDEMTA 2,4,6-trichlorotriazine (TCT) 2,4,6-hexadiethylmalonate-triazine: 2,4,6-HDEMTA Sodium diethylmalonate ester
- 96. • Forces increased many times for G2 with greater rotational & electronic rearrangement with greater entropic changes • Viscosities for G2 > G1 with a similar flow dynamics • More branching developed higher hydrodynamic volume • Molecular size estimated with composition with structural reorientation and solvent plays a contributing role Entropic stabilization at 303.15 K
- 97. Roots and shoots invention model • Sparking and at random ideas • Translational extractional • Mere thinking is a sweet dream • Transforming is a technology • Unbelievable, unthinkable, unworkable unimaginable unrestricted thoughts • Today’s sparking ideas are tomorrows foundation • Ideas grow like a seed having roots as foundation, stem as vertical growth, shoots as applications
- 98. Supersedes existing Experimental devices Ostwald Viscometer (German chemist) Ubbelohde Viscometer (German chemist) Cannon Viscometer (USA) Brookfield Viscometer (USA) Ludwig Traube Stalagmometer (German physicist) Lecomte Tensiometer (French biophysicist) Wilhelmy Plate, Kibron (Finland), Du Noüy Ring Tensiometer Borosil Mansingh Survismeter R4M4: ►Reduce ►Reuse ►Recycle ►Redesign ►Multipurpose ►Multitasking ►Multitracking ► Multifaceted
- 99. survismeter
- 100. Resources generating real reel to wheel forward • 1st Edition • Hardback £116.00 • eBook £37.79. eBook Rental from £21.00 • Pan Stanford . Published January 29, 2019 Reference - 404 Pages - 16 Color & 404 B/W Illustrations ISBN 9789814774703 - CAT# K409802
- 101. Tender for survismeter Tender for survismeter
- 104. Singapore Govt. IPR
Editor's Notes
- Densities noted as a packing factor caused by internal pressure on account of molecular interactions is summarized in Table 3 and depict a comparative strengthen of solute-solvents interactions. The for aqueous 10% (w/w) DMSO is maximum and sound velocity ( ) is lower as compared to BSA with water (BW) and WBD systems due to stronger Columbic forces, electrostatic interaction and dipole interaction.
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