Biomimetic Based Applications Part 6 ppt

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Natural orbitals and chemical indices 6.1 Natural orbitals $/8#(6E,@%A#2(668A%@,('#4,%16%0#,.#8O/,E,@84#,'#V,1M#LM#V,1M#[#,AA".@6%@8.#@/8#U=7=.#(B#1c4#,'#@/8# XU#.@%@8M#$/8#E('4,'1#.C008@6,2#:U>#4 OC c4 OC #(6E,@%A#(B#@/8#4,2(??86#.,@8#,'@86%2@.#Q,@/#U;@C?8# (6E,@%A.#:Vo*#S P o*#8@2>#(B#?86(O,48#,'#U=7=c)*#Q/,A8#U=7=r)#2('.,.@.#(B#@/8#%'@,.C008@6,2#:N># 4 OC r4 OC #(6E,@%A#%'4#@/8#S / o#('8M#$/8#S / o#(6E,@%A#,.#.@%E,A,-84#EC#@/8#.C008@6C;%AA(Q84#(6E,@%A# ,'@86%2@,('.#@(#%BB(64#5=K=#%.#./(Q'#,'#V,1M#LM#$/8#U=7=.#48A(2%A,-8#('#@/8#Q/(A8#9" 3 = 3 # 2(68M# $/8# 48A(2%A,-84# (6E,@%A# ('# @/8# xy;?A%'8# 2%'# E8# %@@6,E"@%EA8# @(# @/8# %'@,B866(0%1'8@,2# ."?868O2/%'18# ,'@86%2@,('.# E8@Q88'# @/8# 9":DD># ,('.# P,%# 4,(OC18'M# $/8# U=7=c)# (B# 1#Q%.# 2(0?(.84#(B#@/8#4 OC c4 OC #%'4#Vo#(6E,@%A.#E82%".8#(B#@/8#?A%'%6#9" 3 = 3 #2(68#.@6"2@"68.M#='#@/8# (@/86# /%'4*# @/%@# (B# 4#2('.,.@84#(B#@/8#4 OC c4 OC #%'4#So# (6E,@%A.# E82%".8# @/8# E"@@86BAC# 2(68# .@6"2@"68#%AA(Q.#@/8#4#(6E,@%A.#@(#,'@86%2@#Q,@/#So#(6E,@%A.M#D'#2#%'4#3*#E(@/#@/8#Vo#%'4#So#(6E,@%A.# (B# ?86(O,48# Q%.# ,'P(AP84# ,'# @/8# B(60%@,('# (B# @/8# U=7=c)M# $/8.8# 68."A@.# ,'4,2%@8# @/%@# @/8# %62/,@82@"68#(B#@/8#9" 3 = 3 #2(68#.@6('1AC#,'BA"8'28.#@/8#4;?#(6E,@%A#,'@86%2@,('*#%@@6,E"@,'1#@(#@/8# 0%1'8@,2#2("?A,'1.#%'4#@/8#2/80,2%A#E('4#2/%6%2@86.M# 6.2 Occupation numbers and chemical indices $/8#'%@"6%A#(6E,@%A#%'%AC.,.#2A8%6AC#480('.@6%@8.#@/%@#@/8#9" 3 = 3 #E('4.#8O/,E,@#,'@86084,%@8# E('4,'1M#9/80,2%A#,'4,28.#."2/#%.#8BB82@,P8##E('4#(6486#./("A4#E8#%#".8B"A#,'48O#B(6# @/8# ,'P8.@,1%@,('# (B# E('4# 2/%6%2@86# :D.(E8# 8@#%AM*#3WWHI#$%&%'(#8@#%AM*#3WWSI#$%&%'(#%'4# !%0%1"2/,*# 3WWRI# !%0%1"2/,*# )GGW>M# i.,'1# @/8# (22"?%@,('# '"0E86.# (B# U=7=.# :$%EA8# L>*# @/8.8#,'4,28.#B(6# 1c4#2%'#E8#8.@,0%@84#Q,@/#qk.M#:R>*#:)W>*#:))>*#%'4#:)3>M## $/8#b#P%A"8.#B(6# 1c4#%68#."00%6,-84#,'#$%EA8#[M#$/8#b U=K= #P%A"8.#,'4,2%@8#@/%@#@/8#9"#.,@8.# ,'@86084,%@8AC#,'@86%2@#Q,@/#8%2/#(@/86#@/6("1/#@/8#E,'4,'1#4,(OC18'M# $/8#9" 3 = 3 #E('4#,.# '(@# %# 2A(.84;./8AA# @C?8# 0(A82"A%6# (6E,@%A# 2('B,1"6%@,('# :b U=K= #^#)MW>*#E"@#%'#(?8'#./8AA# 2('B,1"6%@,('*#Q/868#8A82@6('.#?%6@,%AAC#(22"?C#@/8#%'@,E('4,'1#U=7=r)M#$/,.#(?8';./8AA# 0(A82"A%6# (6E,@%A# 2('B,1"6%@,('# 8'."68.# @/8# .@6('1# %'@,B866(0%1'8@,2# ."?868O2/%'18# ,'@86%2@,('.M#$/8#b 5=K= #P%A"8.#B(6#1c4 Q868#WMGGR*#./(Q,'1#@/8#P86C#Q8%&#.?,'#?(A%6,-%@,('# 8BB82@M#$/8#b U=K= #P%A"8.#,'268%.8.#%.#4 mm 3 m 1 m 2* ,'4,2%@,'1#@/8#.%08#@8'48'2C#(B#@/8#vJ %E v# P%A"8.M#e"41,'1#B6(0#@/8#2/%618#48'.,@,8.#%'4#@/8#b U=K= #P%A"8.*#4#8.@,0%@8.#0"2/#.0%AA86# ."?868O2/%'18#,'@86%2@,('#E8@Q88'#9":DD>#,('.#P,%#?86(O,48#@/%'# 1c3*#./(Q,'1#@/8#.0%AA86# %E.(A"@8#P%A"8#(B#J %E M ='#@/8#(@/86#/%'4*#@/8#b 5=K= #P%A"8.#,'#0(48A.#1c4#%68#2A(.8#@(#8%2/# Biomimetic Based Applications 194 (@/86*#,'4,2%@,'1#@/%@#@/8#.?,'#?(A%6,-%@,('#8BB82@.#%68#,'.8'.,@,P8#@(#@/8#A,1%'4#2((64,'%@,('M# $/8# '%@"6%A# (6E,@%A# %'%AC.,.# 2A8%6AC# 480('.@6%@8.# @/%@# @/8# %'@,B866(0%1'8@,2# 2("?A,'1.# (B# @/8.8#9" 3 = 3 #.C.@80#%68#4(0,'%@84#EC#@/8#."?868O2/%'18#,'@86%2@,('#%'4#@/%@#@/8#9":DD>#,('.# %'4#@/8#?86(O,48#,('#./(Q#%'#,'@86084,%@8#(6E,@%A#,'@86%2@,('#:W#m#b U=K= m#)MW>M# # # V,1M#[M#U,'1AC#(22"?,84#E('4,'1#:U=7=c)>#%'4#%'@,E('4,'1#:U=7=r)>#'%@"6%A#(6E,@%A.# :U=7=.>#(E@%,'84#B6(0#iZ5%'45X!\#2%A2"A%@,('.#,'#@/8#XU#.@%@8#Q,@/#@/8#a;6%C# 26C.@%AA(16%?/,2#.@6"2@"68.#(B# 1c4M Chemical Indices of the Biomimetic Models of Oxyhemocyanin and Oxytyrosinase 195 K(48A# # 5=K=# U=K=c)# U=K=r)# XiK=# 1 a;6%C# )MGGR# )M3RR# WMR3H# WMWWH# =?@ % #)MGGR# )M3HT# WMRTL#WMWWH# 2 a;6%C# )MGGR# )MHWL# WMTGT# WMWWH# =?@ % #)MGGR# )M3[H# WMRLR#WMWWH# 3 a;6%C# )MGGR# )M3LH# WMR[R# WMWWH# =?@ % #)MGGR# )M333# WMRRS#WMWWH# 4 a;6%C# )MGGR# )M)3R# WMSRH# WMWWH# =?@ % #)MGGS# )MWG)# WMGWG#WMWW3# a #g8(08@6,2%A#?%6%08@86.#Q868#B"AAC#(?@,0,-84M# $%EA8#LM#=22"?%@,('#7"0E86.#(B#5=K=#%'4#U=K=.#:U=7=.>#(B#1c4#EC#iZ5%'45X!\#,'# @/8#XU#U@%@8M## # # K(48A# # b 5=K= # b U=K= # 1 a;6%C# WMGGR# WM3RR# =?@ % #WMGGR#WM3HT# 2 a;6%C# WMGGR# WMHWL# =?@ % #WMGGR#WM3[H# 3 a;6%C# WMGGR# WM3LH# =?@ % #WMGGR#WM333# 4 a;6%C# WMGGR# WM)3R# #=?@ % #WMGGS#WMWG)# a #g8(08@6,2%A#?%6%08@86.#Q868#B"AAC#(?@,0,-84M# $%EA8#[M#qBB82@,P8#E('4#(6486.#(B#5=K=.#%'4#U=K=.#:U=7=.>#(B#1c4#EC#iZ5%'45X!\#,'# @/8#XU#U@%@8M# $/8#,'B(60%@,('#8'@6(?C#:I>*#"'?%,684#8A82@6('#48'.,@C#:U>*#%'4#4,6%4,2%A#2/%6%2@86#:Y>#%68# %A.(#".8B"A#,'4,28.#B(6#@/8#,'P8.@,1%@,('#(B#@/8#2/%6%2@86#(B#@/8#2/80,2%A#E('4#:U(4%#8@#%AM*# 3WWW>M#i.,'1#@/8#(22"?%@,('#'"0E86.#(B#@/8#U=7=.*#@/8#,'4,28.#Q868#8.@,0%@84#Q,@/#qk.M# :)W>c:)3>M#D'#$%EA8#T*#@/8#I#P%A"8.#8O?68 #@/8#A( #(B#@/8#2(P%A8'2C#(B#@/8#2/80,2%A#E('4.M#$/8# U#P%A"8.#%68#8k",P%A8'@#@(#@/8#48P,%@,('#B6(0#8O%2@#.,'1A8@#P%A"8# XU mS 3 n#^#W#B(6#@/8#E6(&8'; .C008@6C# .(A"@,('M# $/8# Y#P%A"8.*#Q/,2/#2/%6%2@86,-8#@/8#4("EA8# 8O2,@%@,('# (B# 8A82@6('.# (22"?C,'1#@/8#E('4,'1#7=.*#,'4,2%@8#/(Q#0"2/#@/8#"'(22"?,84#8A82@6('.#2%'#A(2%A,-8#('# @/8# .?,'# .,@8.M# $/8C# 2%'# E8# 681%6484# %.# ".8B"A# ,'4,28.# @(# 4,%1'(.8# @/8# E('4# '%@"68# %'4# 08%."68.#(B#@/8#.@68'1@/#(B#(6E,@%A#,'@86%2@,('.M#\68P,(".AC*#Q8#,'P8.@,1%@84#@/8#'%@"68#(B#@/8# 2/80,2%A#E('4.#(B#(61%',2#.C.@80.*#./(Q,'1#@/%@#,'@860(A82"A%6#6%4,2%A#2/%6%2@86#(B#(61%',2# 6%4,2%A.*#?/8'%A8'CA#6%4,2%A#4,086,2#?%,6*#Q868#68?68.8'@84#%.#WMT[#(B#@/8#I#P%A"8*#WMSHS#(B#@/8# U#P%A"8*#%'4#WMHW#(B#@/8#Y#P%A"8#:$%&%'(#8@#%AM*#3WW3E*#2>M#9(0?%6,'1#@(#@/8#(61%',2#.C.@80*# Q8#B("'4#@/%@#@/8#E,(0,08@,2#2(0?A8O8.*# 1c4* ./(Q#.@6('1#6%4,2%A#2/%6%2@86*#@/%@#,.*#6%@/86# Q8%&#(6E,@%A#,'@86%2@,('.I#/(Q8P86*#@/8#Q8%&#E('4#2/%6%2@86#,.#."BB,2,8'@#B(6#@/8#2((?86%@,P8# ,'@6%0(A82"A%6# :@/6("1/;E('4>#2/%618#@6%'.?(6@#B(6#@/8#(OC18'# @6%??,'1*# '%08AC# @/8# 4,(OC18'#E,'4,'1# ,'# @/8# E,(0,08@,2# 2(0?A8O8.*# 1c4M#$/8# 8.@,0%@84# 8BB82@,P8# E('4# (6486.# %'4#,'B(60%@,('#8'@6(?,8.#8O/,E,@#.,0,A%6#E8/%P,(6#68.?('.,EA8#B(6#@/8#E('4#B(60%@,('#P,%# 8A82@6('# 48A(2%A,-%@,('M# ='# @/8# (@/86# /%'4*# @/8# 8P%A"@84# "'?%,684# 8A82@6('# 48'.,@,8.# %68# 68.?('.,EA8#B(6#@/8#8A82@6('#2(668A%@,('#8BB82@.*#%'4#@/868B(68#@/8C#%68#%E("@#)MW#B(6#%AA#@/8# 2(0?A8O8.*# ,'4,2%@,'1# %'# ,0?(6@%'@# 6(A8# (B# @/8# 8A82@6('# 2(668A%@,('# 8BB82@M# $/8# 8A82@6('# Biomimetic Based Applications 196 48A(2%A,-%@,('#%'4#8A82@6('#2(668A%@,('.#%68#2(0?8@,@,P8#,'#@/8#2(??86c(OC18'#.C.@80.M#$/,.# ,.#@/8#68%.('#Q/C#Q8#0".@#".8#iZ5%'45X!\#,'.@8%4#(B#iZHX!\#%'4#iZX!\#%.#4,.2" 84# ,'# 48@%,A# ,'# ("6# ?68P,(".# ?%?86# :$%&%'(# 8@# %AM*# 3WW)I# $%&%'(# %'4# !%0%1"2/,*# 3WWR>M# $/8# (?@,0,-84#.@6"2@"68#?6(P,484#@/8#A%6186# 2/80,2%A#,'4,28.#B(6# 1c4#@/%'#@/8#a;6%C#.@6"2@"68# 4"8#@(#@/8#68A%O%@,('#(B#@/8#9" 3 = 3 #2(68M#D@#,'4,2%@8.#@/%@#26C.@%A#8'P,6('08'@#.@68'1@/8'.#@/8# (6E,@%A#,'@86%2@,('.#(B# @/8#4,2(??86#2(68# (B# @/8# E,(0,08@,2#2(0?A8O8.*# 1c4M#$/8# 8P%A"%@84# ,'B(60%@,('# 8'@6(?,8.*# "'?%,684# 8A82@6('# 48'.,@,8.*# %'4# 4,6%4,2%A# 2/%6%2@86.# ./(Q# @/8# B(AA(Q,'1#@8'48'2C<# 4 nn 3 n 1 n 2*#k"%A,@%@,P8AC#2(668.?('4.#@(#@/8#(6486#(B#@/8#0%1'8@,2# 2("?A,'1<#J %E :4>#nn#J %E :3>#n#J %E :1>#n#J %E :2>M## # K(48A 㩷 㩷 I ' # U Y 1 a;6%C# WMRR[# WMG3H# WMLS[# 㩷 =?@ % #WMS))#WMGLL#WM[[H# 2 a;6%C# WMR[# WMGWS# WMLLH# 㩷 =?@ % #WMRGT#WMGHT#WM[3L# 3 a;6%C# WMSW[# WMGL)# WM[L)# =?@ % #WMS3H#WMG[)#WM[RR# 4 a;6%C# WMGWH# WMGSL# WMR[# 㩷 =?@ % #WMGH)#WMGG3#WMS)G# a #g8(08@6,2%A#?%6%08@86.#Q868#B"AAC#(?@,0,-84M# $%EA8#TM#D'B(60%@,('#8'@6(?,8.#:I>*#"'?%,684#8A82@6('#48'.,@,8.#:U>*#%'4#4,6%4,2%A#2/%6%2@86.# :Y>#(B#U=K=.#:U=7=.>#(B# 1c4#EC#iZ5%'45X!\#,'#@/8#XU#U@%@8M# 7. Concluding remarks $/8#0%1'8@,2#2("?A,'1.#%'4#@/8#'%@"68#(B#@/8#2/80,2%A#E('4.#(B#@/8#9" 3 :P;K 3 <K 3 ;= 3 >#2(68#(B# @/8# E,(0,08@,2# 0(48A.# 1c4#Q868#,'P8.@,1%@84#EC#/CE6,4#bV$#2%A2"A%@,('.#."2/#%.# iZ5%'45X!\#2%A2"A%@,('.M## h8#8.@,0%@84#@/8#0%1'8@,2#2("?A,'1#2('.@%'@.#%'4#8O%0,'84#@/8#8A82@6(',2#.@6"2@"68.#B(6# 1c 4#B6(0#@/8#P,8Q?(,'@#(B#@/8#./%?8#%'4#.C008@6C# (B# @/8# '%@"6%A# (6E,@%A.# %'4# 2/80,2%A# ,'4,28.M#N'%AC.,.#(B#'%@"6%A#(6E,@%A.#%'4#8BB82@,P8#E('4#(6486.#?6(P,48#".#".8B"A#,'.,1/@.#@/%@# @/8#%'@,B866(0%1'8@,2#2("?A,'1.#(B#@/8#9" 3 = 3 #.C.@80.#%68#4(0,'%@84#EC#@/8#."?868O2/%'18# ,'@86%2@,('*#@/%@#9":DD>#,('.#%'4#?86(O,48#./(Q#%'#,'@86084,%@8#(6E,@%A#,'@86%2@,('#:W#m#b m# )MW>*#%'4#@/%@#@/8#4,.@(6@,('#(B#@/8#9" 3 = 3 #2(68#B6(0#%#?A%'%6#.@6"2@"68#@(#%#E"@@86BAC#.@6"2@"68# %'4#8A('1%@,('#(B#@/8#9"c=#E('4.#2%".8#@/8#684"2@,('#(B#(6E,@%A#,'@86%2@,('.#E8@Q88'#@/8# .C008@6,2#4 OC c4 OC #(6E,@%A#(B#@/8#4,2(??86#.,@8#%'4#@/8#S P o# (6E,@%A# (B# = 3 #%'4#E8@Q88'#@/8# %'@,.C008@6,2#4 OC r4 OC #(6E,@%A#%'4#@/8#S / o#(6E,@%A*#Q8%&8','1#@/8#0%1'8@,2#2("?A,'1#E8@Q88'# @/8#9"#.,@8.#P,%#P;K 3 <K 3 ;?86(O,48M#$/8#,'B(60%@,('#8'@6(?C*#"'?%,684#8A82@6('#48'.,@C*#%'4# 4,6%4,2%A# 2/%6%2@86# 8O/,E,@84# @/8# ".8B"A# ,'B(60%@,('# %E("@# @/8# 2/80,2%A# E('4.# ,'# @/8# 4,2(??86# 2(68# (B# E,(0,08@,2# 2(0?A8O8.*# 1c4M# q.?82,%AAC*# @/8# 8P%A"@84# "'?%,684# 8A82@6('# 48'.,@,8.# ,'4,2%@8.# @/8# 68%.('# Q/C# Q8# 0".@# ".8# iZ5%'45X!\# ,'.@8%4# (B# iZHX!\# %'4# iZX!\M# $/".*# '%@"6%A# (6E,@%A.# %'4# 2/80,2%A#,'4,28.#."2/#%.#8BB82@,P8#E('4#(6486*# ,'B(60%@,('# 8'@6(?C*# "'?%,684# 8A82@6('# 48'.,@C*# %'4# 4,6%4,2%A# 2/%6%2@86# %68# ".8B"A## B(6# 8A"2,4%@,('# (B# @/8# '%@"68# (B# 2/80,2%A#E('4.#E%.84#('#@/8#E6(&8'#.C008@6C#bV$# 2%A2"A%@,('M### Chemical Indices of the Biomimetic Models of Oxyhemocyanin and Oxytyrosinase 197 8. References NAA8'*# VM5M# :3WW3>M# $/8# 9%0E6,418# U@6"2@"6%A#b%@%E%.8<#%#k"%6@86#(B#%#0,AA,('#26C.@%A# .@6"2@"68.#%'4#6,.,'1M#N2@%#96C.@%AA(16#U82@#Z;U@6"2@#U2, 58*#HSW;HSSM# N"AAf'*# gM*# g(6"'*# UMKM*# w# NAP%68-*# UM# :3WWT>M# qBB82@.# (B# @6,.:?C6%-(ACA>E(6%@(# A,1%'4# ."E.@,@"8'@.# ('# 4,(OC18'# %2@,P%@,('# %'4# .@%E,A,-%@,('# EC# 2(??86# 2(0?("'4.M# D'(61%',2#9/80,.@6C 45*#H[GL;HTW)M# Z82&8*# NMbM# :)GSS>M# b8'.,@C;B"'2@,('%A# 8O2/%'18;8'861C# %??6(O,0%@,('# Q,@/# 2(6682@# %.C0?@(@,2#E8/%P,(6M#\/C.#d8P#N 38*#HWGSM# Z82&8*#NMbM#:)GGH>M#b8'.,@C;B"'2@,('%A#@/860(2/80,.@6CM#DDDM#$/8#6(A8#(B#8O%2@#8O2/%'18M#$/8# e("6'%A#(B#9/80,2%A#\/C.,2. 98*#[TLS;[T[3M# Z8'.('*#bMqM*#5%44C*#NMqM*#w#58AA,'1%*#5MhM#:3WW3>M#9('P86@,'1#%#0%A@(.8#6828?@(6#,'@(#%# '%.28'@# E,'"2A8%6# 2(??86# (OC18'%.8# EC# 2(0?"@%@,('%A# 48.,1'M# Z,(2/80,.@6C 41*# H3T3;H3TGM# 9%/(C*#eM*#5(AA%'4*#\MXM*#w#$(A0%'*#hMZM#:)GGG>M#qO?86,08'@%A#.@"4,8.#(B#@/8#,'@862('P86.,('# (B# P;K 3 <K 3 ;?86(O(;# %'4# E,.:;(O(>4,2(??86# 2(0?A8O8.M# D'(61%',2# 9/80,.@6C 38*# 3)T);3)TSM# 9((&.8C*#9MeM*#g%66%@@*#\MeM*#X%'4*#qMeM*#\%P8A*#UM*#d%0.48'*#9MNM*#d,A8C*#\MNM*#w#U0,@*#7M\MKM# :)GGR>M#qP,48'28#(B#@/8#,'4,682@#B(60%@,('#(B#@/8#2%@82/(A,2#,'@86084,%@8#."E.@6%@8# 68.?('.,EA8# B(6# @/8# %"@(%2@,P%@,('# &,'8@,2.# (B# @C6(.,'%.8M# e("6'%A# (B# Z,(A(1,2%A# 9/80,.@6C 272*#3T33T;3T3H[M# 96%086*# 9MeM*# +,'.,'186*# 9MdM*# w# \%&*# !M# :3WWH>M# K82/%',.0# (B# ,'@6%0(A82"A%6# 9;5# E('4# %2@,P%@,('#,'#Y:X9"> 3 :;=> 3 ] 3r #:X#^#)*L*R;@6,%A&CA;)*L*R;@6,%-%2C2A('('%'8><#t"%'@"0# 082/%',2%Al0(A82"A%6# 082/%',2%A# 0(48A,'1M# e("6'%A# (B# K(A82"A%6# U@6"2@"68<# $5q=95qK 632*#)));)3WM# 96%086*# 9MeM*# w# \%&*# !M# :3WW)>M# $6%'.,@,('# .@%@8# B(6# ,'@6%0(A82"A%6# 9;5# E('4# 2A8%P%18# ,'# Y:X9"> 3 :P;=> 3 ] 3r #:X#^#)*L*R;@6,E8'-CA;)*L*R;@6,%-%2C2A('('%'8>M#$/8(68@,2%A#9/80,.@6C# N22("'@. 105*#LRR;LSWM# 9"BB*#KMqM*#K,AA86*#+MDM*#p%'#5(A48*#+MqM*#w#58'46,2&.('*#hMNM#:)GGS>M#96C.@%A#.@6"2@"68#(B#%# B"'2@,('%A#"',@#B6(0#=2@(?".#/80(2C%','M#e("6'%A#(B#K(A82"A%6#Z,(A(1C 278*#S[[; 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.@%@8#0(A82"A8.M#$/8(6#9/,0#N2@% 48*#)R[;)SHM# $%@8Q%&,*#5M*#w#5"-,'%1%*#UM#:)GRG>M#N#.C.@80%@,2#?68?%6%@,('#(B#'8Q#2('@6%2@84#g%" ,%'# @C?8#(6E,@%A#.8@M#DM#$6%'.,@,('#08@%A#%@(0.#B6(0#U2#@(#s'M#$/8#e("6'%A#(B#9/80,2%A# \/C.,2. 71*#LHHG;LHLSM# $6(B,08'&(*# UM# :)GGG>M# U2(6?,('%@8.<# @/8# 2((64,'%@,('# 2/80,.@6C# (B#?(AC?C6%-(AE(6%@8# A,1%'4.#:X('4('*#D0?86,%A#9(AA818#\68 >M# p(.&(*# UM5M*# h,A&*# XM*# w# 7".%,6*# KM# :)GSW>M# N22"6%@8# .?,';48?8'48'@# 8A82@6('# A,k",4# 2(668A%@,('#8'861,8.#B(6#A(2%A#.?,';48'.,@C#2%A2"A%@,('.;%#26,@,2%A#%'%AC.,.M#9%'#e#\/C. 58*#)3WW;)3))M# !%0%1"2/,*#+M#:)GGW>M#D'#U8AB;9('.,.@8'@#V,8A4#$/8(6C#%'4#N??A,2%@,('.*#dM#9%6E(*#%'4#KM# +A(E"&(Q.&,*#84.M# # [...]... 10 -6. 622 [Lu et al., 2005] (2) OCP DOHA [Lu et al., 2005] (3) [Lu et al., 2005] (4) TCP 4Ca2++HPO42-+2PO43-= Ca4(HPO4)(PO4)2 10- 36. 48 9Ca2++5PO43-+HPO42-+OH10-85.1 =Ca9(HPO4)(PO4)5OH 3Ca2++2PO43-= Ca3(PO4)2 10-117.2 [Müller et al., 20 06] (5) HA 10Ca2++6PO43-+2OH-= Ca10(PO4 )6( OH)2 2.83×10-30 [Koutsopoulos et al., 2000] (6) SCHA-A-0.5 10Ca2++6PO43-+1/2CO32-+OH- 10-115 .6 =Ca10(PO4 )6( OH)(CO3)0.5 10Ca2++6PO43-+CO32-=Ca10(PO4)6CO3... 229-279, ISSN: 0001- 868 6 Xie, Y.T.; Liu, X.Y.; Chu, P.K & Ding, C.X (20 06) Nucleation and growth of calciumphosphate on Ca-implanted titanium surface Surface Science, Vol 60 0, No 3, February 20 06, 65 1 -65 6, ISSN: 0039 -60 28 Xiong, Lu & Yang, Leng (2005) Theoretical analysis of calcium phosphate precipitation in simulated body fluid Biomaterials, Vol 26, No 10, April 2005, 1097-1108, ISSN: 0142- 961 2 Yerokhin,... CaPs slightly, as shown in Fig 2c 212 Biomimetic Based Applications 9 G, kJ mol-1 G, kJ mol-1 0 -3 -6 -9 0 2 4 6 8 DCPD OCP DOHA TCP HA SCHA-A-0.5 SCHA-A-1 SCHA-B-1 HPO4-SCHA-B-0.5 3 DCPD OCP DOHA TCP HA SCHA-A-0.5 SCHA-A-1 SCHA-B-1 HPO4-SCHA-B-0.5 3 -12 (b) 6 (a) 6 0 -3 -6 -9 0 2 4 6 8 10 Multiple of HPO42- ion concentration 10 2+ Multiple of Ca ion concentration 6 4 8 (c) DCPD OCP DOHA TCP HA SCHA-A-0.5... in Table 4 Bioactive Microarc Oxidized TiO2 -based Coatings for Biomedical Implication Apatite DCPD OCP DOHA TCP HA SCHA-A-0.5 SCHA-A-1 SCHA-B-1 HPO4-SCHA-B-0.5 v(m-3) 3.09E-28 3.106E-28 5.31E-28 1.48E-28 5.3E-28 5.3E-28 5.3E-28 5.3E-28 5.3E-28 211 cL(mol/L) 4.8 865 2 E-04 2.28312E- 06 8.43452E-07 4.8 269 5E-07 4.09944E-08 3 .66 998E-08 1.37127E- 06 4.35071E- 06 1. 960 54E-08 Table 4 The values of v and cL of various... shown in Fig 6b With increasing pH, the change of v did not alter the logJ of HA, HPO4-SCHA-B-0.5 and SCHA-A-0.5 While in the case of OCP, the increase of v improved the logJ slightly 16 (a) 14 14 12 12 OCP TCP HA SCHA-A-0.5 HPO4-SCHA-B-0.5 10 8 6 (-logJ)-1×103 (-logJ)-1×103 (b) 4 10 8 6 4 0 200 400 60 0 v, Å3 800 1000 1200 6 7 8 9 10 11 12 0.6v-OCP 1v-OCP 1.5v-OCP 0.6v-HA 1v-HA 1.5v-HA 0.6v-SCHA-A-0.5... 20 18 (d) 16 14 (-logJ)-1×103 (-logJ)-1×103 16 HA SCHA-A-0.5 HPO4-SCHA-B-0.5 12 10 8 OCP DOHA TCP HA SCHA-A-0.5 HPO4-SCHA-B-0.5 12 8 4 6 0 2 4 6 8 10 Multiple of HCO3- ion concentration 0 2 4 6 8 10 Multiple of SBF concentration Fig 5 Change in the logJ with increasing the concentrations of various ions and SBF at pH=7.4: (a) Ca2+, (b) HPO42-, (c) HCO3- and (d) SBF 2 16 Biomimetic Based Applications. .. 0142- 961 2 2 26 Biomimetic Based Applications Zhu, X.L.; Kim, K.H & Jeong, Y.S (2001) Anodic oxide films containing Ca and P of titanium biomaterial Biomaterials, Vol 22, No 16, August 2001, 2199-22 06, ISSN: 0142- 961 2 Zhu, X.L.; Ong, J.L.; Kim, S.Y & Kim, K.H (2002) Surface characteristics and structure of anodic oxide films containing Ca and P on a titanium implant material J Biomed Mater Res, Vol 60 ,... 9 6 3 0 c-SBF r-SBF i-SBF m-SBF HBSS Fig 9 logJ of HA, SCHA-A-0.5 and HPO4-SCHA-B-0.5 in the different SBFs (a) 24 (-logJ)-1×103 28 (b) c-SBF r-SBF i-SBF m-SBF 20 16 12 OCP 8 8 9 pH 10 11 16 12 8 20 16 6 7 8 9 pH 7 11 9 pH 10 (d) 12 11 12 c-SBF r-SBF i-SBF m-SBF HBSS 20 16 12 8 HPO4-SCHA-B-0.5 4 10 8 24 SCHA-A-0.5 4 6 28 12 8 0 12 c-SBF r-SBF i-SBF m-SBF HBSS (c) 24 (-logJ)-1×103 7 (-logJ)-1×103 6. .. February 20 06, 63 1 -64 2, ISSN: 0142- 961 2 Wang, Y.M.; Guo, L.X.; Ouyang, J.H.; Zhou, Y & Jia, D.C (2009) Interface adhesion properties of functional coatings on titanium alloy formed by microarc oxidation method Applied Surface Science, Vol 255, No 15, May 2009, 68 75 -68 80, ISSN: 0 169 4332 Wei, D.Q.a.; Zhou, Y.; Jia, D.C & Wang, Y.M (2007) Characteristic and in vitro bioactivity of microarc oxidized TiO2 -based. .. than those of other CaPs In 215 Bioactive Microarc Oxidized TiO2 -based Coatings for Biomedical Implication 16 0 (a) (-logJ)-1×103 14 OCP TCP DOHA HA SCHA-A-0.5 HPO4-SCHA-B-0.5 12 8 6 4 2 -60 -80 7 8 9 pH 10 11 12 5 6 7 8 9 10 11 12 13 pH 0 0 (c) -100 (d) -20 OCP -40 TCP DOHA -60 HA SCHA-A-0.5 HPO4-SCHA- -80 -B-0.5 -100 -200 0 -20 -40 -60 -80 -100 lnM lnM OCP TCP DOHA HA SCHA-A-0.5 HPO4-SCHA-B-0.5 -40 . ,0? 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