N g h i e n
CLFU- Ky t h u a t
So sanh mg dung ky thuat thong minh
r r
cho mo hinh hoa quy trinh chiet xuat cao diep ha chau
Dat van de
Chidt xuit dupc lieu la mpt qua trinh ky thuat diing dung mdi de chidt tach mot hoae nhidu hoat chit cd tac ddng sinh hpe (alcaloid, flavonoid, anthraquinon,..) tir pha r i n la cic bp phan ctia dupe lieu cd the la than, rd, qua, hoa.
Do Quang Dirccng, Nguyen Phuong Nam
Khoa Dirge. Dgi hgc Y Dugc Tp. Hd Chi Minhla... bdi pha Idng la dung mdi nude, edn... Co r i t nhidu ydu td anh hudng den qua trinh chiet xuit dupe lieu; nguyen lieu, c h i t tan, dung mdi, ky thuat chidt... '^'
cac ydu td anh hudng ddn qua trinh chiet xuit duac minh hoa d Sa dd 1 '^l
Duac lieu Ky thuat
Xuat xw
Bd phan - L a - Than - Qua - R d
Dirac lieu
Thdi vu -Thang - Miia
Phuang phap
xtr ly
- Su dn dinh hda -Didu kien bao quan - O p m j n
- D d am
Nhiet do
Khuay trdn
Thdi gian
Ap suit
-> San pham
C h i t phu gia
Ty le dupe lieu/dung mdi
Loai dung mdi
Dung mdi
Sa dd 1: Cic yiu td anh hudng Mang thin kinh (Neural Network-NN)
Mang thin kinh da dupe ap dung ttr han 60 nam qua, ed ich trong viec thidt lap md hinh lien quan nhan qua, dac biet ddi vdi viec md hinh hda dii' lieu phi tuyen hay dir lieu phtrc tap. Mdi mang thin kinh nhan tao dup'c eau tao bdi nhidu dan vi t h i n kinh dupc lien kdt va s i p xdp thanh nhidu Idp. Cd nhidu e i u true mang t h i n
^ pH
Ndng dp dung mdi
den qui trinh chiet xuat duge lieu
kinh, song e i u true mang nhidu Idp (multilayer pereeptron networks) la thdng dung nhit'^'.
Lap trinh di truyin (Genetic Programming - GP)
Lap trinh di truyen la mpt ky thuat vdi y tudng chinh la cae chuang trinh may tinh cd kha nang [w tidn hda de md hinh hda dir lieu, kdt qua du doan md hinh dCr lieu dang bieu thtrc
46 TAP CHI DUQC HQC - 2/2011 (SO 418 NAM 51)
N g h i e n CLFU - Ky t h u a t
toan hpc y=f(Xi), dupe gidi thieu bdi Koza vao nam 1992''''.
GP khae nhirng thuat toan thdng minh khae d pham vi irng dung: nhirng thuat toan khac thudng duac ap dung cho cae bai toan tim Idi giai tdi uu, trong khi GP dupe xdp vao nhdm cae thuat toan may hpe: tim md hinh 6w doin du lieu dua tren thdng tin dua vao '^'.
Bai bao la kdt qua nghien ciru so sanh trng dung etia hai ky thuat thdng minh tren eho viec md hinh hda quy trinh ehidt x u i t cao khd diep ha chau {Phyllanthus amarus Schum. & Thonn.) - dupe lieu dang dupe nghien ciru vi str dung rdng rai vdi tae dung trj viem gan va bao ve td bao gan hieu qua. Trong nhirng nghien ciru trudc dd ctia nhdm tac gia eho ta thiy ky thuat mang t h i n kinh va lap trinh di truyen kha hieu qua trong viee md hinh hda dO' lieu dang edng thire '^ ^'. Viee so sanh giira hai ky thuat nay se giiip cho nha ehidt x u i t ed mpt each nhin tdng quat han trong viee lua chpn phuang phap khao sat mdi lien quan giira didu kien chidt xuit vdi tinh chit etia san phim.
Nguyen lieu va phu'O'ng phap
Cong cu p h i n mdm va each danh gia Phin mdm sir dung trong bai bao nay la nhirng nghien ciru va irng dung hai ky thuat thdng minh: mang t h i n kinh (NN) va lap trinh di truydn (GP) tai Khoa Duac - Dai hpe Y Dupe Ho Chi Minh cho viee xay dung md hinh va tdi uu hda dii' lieu duac.
De danh gia chit lupng eua mdt md hinh hda, nghien ciru nay diing he sd tuang quan.
Theo edng thire 1, gia trj eua R^ cang eao, md hinh dir lieu cang ehinh xae.
r " A X ( . v , - v , ) ^
l_^d R- =
liy,-yy-
.xlOO (1)
vdi y,: bidn phu thude vdi tirng dil' lieu; } ' : gia trj trung binh etia bidn phu thude; y: gia trj du doan tir md hinh; n: sd lupng dir lieu.
DO' lieu thiFC nghiem
Quy trinh ehidt x u i t cao khd diep ha chau str dung trong bai bao dupe tham khao tir nghien eir'u etia Nguydn Oirc Hanh va cae ddng su '^'.
Dir lieu khao sat bao gdm 14 thi nghiem; 3 bidn dde lap: x,: dp edn, X2: ty le dupe lieu; dung mdi,
X3: sd lan chiet; 2 bien phu thudc: y,: ham lupng curcumin I (trong eao Nghe) hay ham lupng phyllanthin (trong eao Diep ha chau ding) (%), y2: hieu suit ehidt cao tir duge lieu (%) (ehi tidt trong bang 1).
Bang 1: DO' lieu thuc nghiem quy trinh chiit xuit cao diep ha chiu ding
Stt 1 2 3 4 5 6 7 8 9 10 11 12 13 14
X1
trung binh (2) trung binh (2) trung binh (2)
thip(1) thip(1) thap(1) trung binh (2)
cao (3) cao (3) t h i p ( 1 ) trung binh (2)
cao (3) thap(1) cao (3)
X2
1:15(3) 1:9(1) 1:15(3)
1:9(1) 1:12(2)
1:9(1) 1:9(1) 1:15(3)
1:9(1) 1:15(3) 1:12(2) 1:12(2) 1:12(2) 1:15(3)
X3
3 2 2 2 3 3 3 2 3 2 2 3 2 3
yi
0,0155 0,0136 0,0128 0,0067 0,0055 0,0063 0,0107 0,0401 0,0304 0,0047 0,0191 0,0395 0,0052 0,0266
72 0,0721 0,0634 0,0692 0,0550 0,0630 0,0606 0,0689 0,0602 0,0589 0,0610 0,0671 0,0612 0,0588 0,0632
Ket qua va ban luan
Kdt qua du doan eho 2 bidn phu thupc tir 2 phuang phap khao sat ehi tidt trong bang 2. Md hinh dang edng thire toan dupe du doan tir GP eho 2 bidn phu thude:
yi = Xi^/(40,11 X3+155,66) (2) y2 = 7,24 /((50,01 /XsXs^) + ((x, - 1,94) 6,83)((Xi-2,02)2,02) +100,82) (3)
Bang 2: Kit qua du doin tir mang thin kinh (NN) Vi lap trinh di truyin (GP)
Stt 1 2 3 4 5 6 7 8 9 10 11 12 13 14
yi
0,0155 0,0136 0,0128 0,0067 0,0055 0,0063 0,0107 0,0401 0,0304 0,0047 0,0191 0,0395 0,0052 0,0266
yi-NN
0,016 0,015 0,015 0,006 0,006 0,006 0,011 0,04 0,033 0,005 0,021 0,033*
0,005*
0,028
yi-GP
0,0145 0,0170 0,0170 0,0042 0,0036 0,0036 0,0145 0,0382 0,0326*
0,0042 0,0170 0,0326 0,0042*
0,0326
yi
0,0721 0,0634 0,0692 0,055 0,063 0,0606 0,0689 0,0602 0,0589 0,061 0,0671 0,0612 0,0588 0,0632
y2-NN
0,071 0,063 0,07*
0,057 0,064 0,061 0,069 0,06 0,06 0,061 0,067 0,061 0,058*
0,063
y2-GP
0,0705 0,0639 0,0690*
0,0572 0,0620 0,0605 0,0681 0,0607 0,0600 0,0612 0,0676 0,0614 0,0602*
0,0619
*• dir lieu sir dung nhu nhdm thu' nhim dinh gii chit lugng md hlnh du doin
T.AP CHI DUQC HQC-2/2011 (SO 418 NAM 51) 47
Nghien CLFU - Ky thuat
Vdi mang t h i n kinh, rd rang ket qua trong bang 3 ehi ra ring md hinh dy doan c6 chat lupng tdt han so vdi ky thuat lap trinh di truyen.
Tuy nhien vdi md hinh lien quan nhan qua dang edng thirc toan hpe dan gian (cdng thire 2, 3), phuang phap lap trinh di truydn gitip nha ehidt xuit dd dang khao sat mdi lien quan nhan qua trong quy trinh ehidt. Vdi dir lieu ehidt x u i t eao khd diep ha chau, tir cdng thtrc 2 cd the thiy dupe bidn y, (% ham lupng phyllanthin) khdng that su bj anh hudng bdi X2 (ty le dung mdi:
dupe lieu). Vi vay, ndu nha ehidt x u i t ehi xay dung md hinh nhim du doan quy trinh chidt thi ed the str dung ky thuat mang t h i n kinh vdi dp ehinh xic cao han, nhung neu c i n khao sat ehi tidt mdi lien quan nhan-qua trong quy trinh ehidt
Mang than kinh - NN
cd the diing ky thuat lap trinh di truyen.
Bang 3: Kit qui dinh gii md hinh nhin qui
(a)
(b)
R^
Nhom luygn Nhom thir
Mang than kinh (NN)
y i y2
0,99 0,97 0,92 0,98
Lap trinh di truyen (GP)
y i y2
0,91 0,95 0,98 0,96 Dua vao hinh 4a, ea hai ky thuat ddu eho md hinh nhan qua tuang tu nhau vdi ham lupng phyllanthin bi anh hudng dang ke bdi dp cdn, Trong khi dd vdi hinh 4b vi 4e, hieu xuit chiet eao diep ha chau d i n g dat tdi da khi dp cdn trung binh dupe sti' dung, them vao dd hinh 4d cung ehl ra ring mudn tang hieu xuit ehidt thi ed the tang sd lan chiet cung nhu tang ti le dung mdi dugc li$u ISn 1:15.
Lap trinh di truyen - GP ' '''•*'' ' ' i i i i i i + i i i i ' ' " " 24
' * > , > < : - - " • '
1 1.' 14 16 i.s ? 2J ^-i ;* I ! ; i ; t 3;;i J i j ,6
48 TAP CHi DUQC HQC-2/2011 (SO 418 NAM 51)
N g h i e n CLFU - Ky t h u a t
(d)
Hinh 4: Mdi lien quan nhan-qui cua dCr lieu
K§t luan
Kdt qua tir thue nghiem cho thay viee irng dung hai ky thuat la lap trinh di truydn va mang t h i n kinh trong viee md hinh hda dir lieu la r i t thanh cdng. Khi danh gia eae md hinh dupe xay dung bdi hai ky thuat cho quy trinh chiet xuit eao khd diep ha chau, mang t h i n kinh eho md hinh du doan cd kdt qua trdi han, tuy nhien vdi viee str dung lap trinh di truyen nha ehidt x u i t cd the khao sat mdi lien quan nhan qua giCra cac thanh phin va tinh c h i t eua san p h i m dua tren md hinh dang bidu thire toan hpc. Viec so sanh gitra hai ky thuat nay se giiip cho nha ehidt x u i t ed mpt each nhin tdng quat han trong viee lua ehpn phuang phap khao sat mdi lien quan giu'a didu kien ehidt xuit vdi tinh chit etia san p h i m mdt each phti hgp.
Summary
Observing cause-effect relationships between extraction conditions (solvent, method, equipment,...) and extracted products (yield (%), active substances (purity). unwanted substances (impurity), etc ...) is essential for developing quality herbal medicinal products.
However, to deduce cause-effect relationships from these data Is hard in view of specifying extraction conditions and extract properties for each medicine (or subtance). This study presents a systematic compahson between two artificial intelligence techniques - Neural
"^'Ky-
khio sit dugc minh hga dang dd thi 3 chieu
Networks, Genetic Programming - applied to discovering cause-effect relationships from extraction process data. Both techniques showed highly applicable to observing cause- effect relationships of the examined data.
Keywords: Neural networks. Genetic programming. Extraction process, Phyllanthus amarus Schum. & Thonn...
Tai lieu tham khao
1. Nguyen Phuong Nam, Do Quang Duong.
Designing a Vietnamese softw/are using soft- computing for modelling and optimising pharmaceutical formulation. Proceedings of the Sixth Indochina Conference on Pharmaceutical Sciences in Hue, (2009), 178-182.
2. Vu Yen Ni, Do Quang Duong. U'ng dung phuong phap tinh toan tien hoa giai quydt bai toan toi uu hoa cong thirc dup'c pham. Tap chi Cong nghe Thong tin va TruySn thong, (2009), 22, 95-101.
3. Row/e RC, Roberts RJ. Intelligent Software for Product Formulation, Taylor and Francis, (1998).
4. Koza JR. Genetic Programming on the Programming of Computers by Mean of Natural Selection. 6* ed. London, tVIITpress, (1998).
5. Duong QD, Rowe RC and York P. Modelling drug dissolution from controlled release products with Genetic programming, Int J Pharm, (2008), 351,194- 200.
6. NguySn Dire Hanh, Nguyen Minh Dire, Dang Van Giap. Xay dung quy trinh chigt xuit cao kho diep ha chau. Tap chi Y hoc Tp. Ho Chi Minh, (2009), 13, 263-267.
TAP CHI DUQC H Q C - 2 / 2 0 1 1 (SO 418 NAM 51) 49
