BUDGET - PART D

APPLICATIONS OF CARBON(13) NUCLEAR MAGNETIC

RESONANCE SPECTROMETRY TO ASSIST IN CHEMICAL

        STRUCTURE DETERMINATION


. . . . . .__"__ --. . . . . ._...-._. .-..                     Yb\. I I",. I,      .a""<... V. L I . ..a. .."L I "r. "L I -1-C-Y ""YVL I I e%"'

           SUBSTITUTE                           PERIOD COVEREO           GRANT NUMBER
IETAILED BUDGET FOR FIRST 124ONTH PERIOD FR0;,1,74         THROUGH
                                    4130175
PERSONNEL (List all personnel engaged OR pmject)                TIME OR        AMOUNT REQUESTED (Omit cents)
                                                   EFFORT
     NAME (Lest, first, irrltfaf)           TITLE OF POSITION       X/HRS.                                TOTAL
jerassi, Carl( 1)     Ch Principal Investigator or      3
                      Program Director
        (2)
arhart, Ray        Ch Post Doctoral Fellow 100 :
nnamed             Ch Post.Doc.Res.Assoc.   100
an Antwerp, Craig     Ch Research Assistant     50

                                                  PART D

1) See budget notes
2) Covers 9/l/74-4/30/75 :.n year 1

                                                       TOTAL        * s 33,592

CONSULTANT COSTS (Include Fees end TravcO                                                   I

EQUIPMENT (Itemize)

                                                                           s

  SUPPLIES           I

  Chemical supplies                                                 900

                                                                           5

   STAFF   0. DOMESTIC 1 east coast trip                                           5    500
   TRAVEL
ice Instructions) b. FOREIGN                                                                5

PATIENT COSTS (Separate Inpatient endOutpatient)                                                S

  ALTERATIONS AND RENOVATIONS                                                           s

OTHER EXPENSES (Itemize per instructions)
Publication costs and reproduction services   $   100
NMR instrument usage (25 hrs/month @ $25/hour)   7,500
Computer usage                      10,800

                                             s 18,400

                                            Subtotal - Items 1 thru 8         . $ 53,392

         10. TRAINEE EXPENSES 1Sce InstmctionsJ

                    PREDOCTORAL              No. Proposed           s

   FOR    .a. STIPENDS  POSTDOCTORAL              No. Proposed           s
                  OTHER (Specify)              No. Proposed           s

TRAINING             DEPENDENCY ALLOWANCE                             s

GRANTS                              TOTAL STIPEND EXPENSES _ 5

         b. TUITION AND FEES
  C)NLY                                                                           s

         C. TRAINEE TRA?`EL (Describe)                                                     s

          11.                                Subtotal - Trainee Expenses                 + a

2. TOTAL DIRECT COST (Add Subtotals, Ifems 9 and 11. end enter on Pa&e IJ             * s 53,392

Substitute Budge? Page S-72                                   /Q ,`C :.
  Fn. Fnrmc PHC ?QR nnrl PHC 3400-l                                                                  GP 0 9 30-79 J


SECTION II - PRIVILEGED COMMUNICATION

Part L)

   BUDGET ESTIMATES FOR ALL YEARS OF SUPPORT REQUESTED FROM PUBLIC HEALTH SERVICE
                  DIRECT COSTS ONLY (Omit Cents)

                        1ST PERIOD
   DESCRIPTION         (SAME AS DE.  ADDITIONAL YEARS SUPPORT REQUESTED (Thisapplication only)
                      TAILED BUDGET,   2ND YEAR    3FtD YEAR    4-l-H YEAR    STH YEAR    6TH YEAR    7TH YEAR

PERSONNEL
COSTS            33,592   53,178   56,176

CONSULTANT COSTS
llnclude fees, travel, etc.)

EOUIPMENT

SUPPLIES

TRAVEL

           900    1,000   1,100

DOMESTIC      500      500      500

FOREIGN

PATIENT COSTS

ALTERATIONS AND
RENOVATIONS

OTHER EXPENSES      18,400   20,000   22,200

TOTAL DIRECT COSTS     53,392   74,678   79,976               I

TOTAL FOR ENTIRE PROPOSED PROJECT PERIOD (Enter on Page 1, /tern 4) -  $ 208,046

REMARKS: Justify all costs for the first year for which the need may not be obvious For future years, justify equipment costs, as well asany
significant increases in any other category. If a recurring annual increase in personnel costs is requested, give percentage, (Use continuation
page if needec.I

See attached budget justification notes.

Rev. 3-70


COMPOSITE BUDGET -

PARTS A + B + C + D


`RIVILEGED COMMUNICATION              SECTION II     SUBSTITUTE THIS PAGE FOR DETAILED BUDGET PAGI

          SUBSTITUTE                           PERIOD COVERED      1 GRANT NUMBER
DETAILED BUDGET FOR FIRST 12-MONTH PERIOD FR0;,1,74         T HROUGH
                                    4/30/75

AMOUNT REQUESTED (Omit ccnr>)

             I
d on pmjcct)                TME OR
                        EFFORT

t

. PERSONNEL (List all personnel en&s&z
    NAME (Lest, first, initfal)

Lederberg, Joshua      G

Feigenbaum, Edward     cs
Djerassi, Carl        Ch
Buchanan, Bruce       cs
Duffield, Alan        Ch
Smith, Dennis         Ch
Sridharan Natesa       cs
Hammerum, Steen       Ch
Pereira, Wilfred       Ch
Rindfleisch, Thomas E
Carhart, Ray          ch
Summons, Roger        ch
Unnamed              ch

See attached sheet

I     TOTAL

TITLE OF POSITION

Principal Investigator or
Program Director
Co-Principal Inves.
Co-Principal Inves.
Associate Inves.
Associate Inves.
I?esearch Associate
Research Associate
Research Associate
Research Associate
Research Associate
Post Doctoral Fello!
Post Doctoral Fell01
Post Doc.Res.Assoc.

f/HI?%

  10

20
3
100
50
100
100
100
50
100
100
100
100

COMPOSITE BUDGET

1

TOTAL             * s 302,567

`. CONSULTANT COSTS (Include Fees end Truvel)

s   1,100

. EQUIPMENT (Itcmirc)

Computer Terminal

. SUPPLIES

I

s   3,000

See attached sheet

s 22,000

  STAFF     0. DOMESTIC
  TRAVEL
See Instnlclions)  b. FOREIGN

. PATIENT COSTS (Separate lnpatienf and Outpatient)

. ALTERATIONS AND RENOVATIONS

Mass spectrometer laboratory air conditioning and power modifications
. OTHER EXPENSES (Itemize per instructions)

Telephone, data communications, postage, etc.
Publication costs                         $ 1,600
                                $ 2,500
Mini-computer maintenance contract               $ 4,600
NMR Instrument usage
Computer terminal rental
Computer usage (ACME follow-on, Campus 360/67, and ARPANET)

s  2,500

s 152,800

Subtotal - Items 1 thru 8                c  s 488,267

10. TRAINEE EXPENSES (See Inslrvcfions)
    I PREDOCTORAL

No. Proposed

FOR

TRAINING

0. STIPENDS _ POSTDOCTORAL
        0 TH ER (Specify)

          DEPENDENCY ALLOWANCE

No. Proposed
No. Proposed

GRANTS I

TOTAL STIPEND EXPENSES -.   s

ONLY

b. TUITION AND FEES

5

S

C. TRAINEE TRAVEL (Describe)

I 11.                                Subtotal - Trainee Expenses                 .  S

L s 488,267

12. TOTAL DIRECT COST (AddSobtofefs. rtems 9 end II, and enteron ~ege f)

iubstiwe Budgat Page 5-72
For Forms PHS 3?8 and PHS 2499-l

,-7. ,`C, .--

CP 0 9 30-791


Continuation page

PERSONNEL (Continued)

Name

Title of Position

Veizades, Nicholas
Reynolds, Walter
Sleed,  Ernest
Wllite,  William
Tucker, Robert
Reiss, Steve
Wegmann, Annemarie
Pearson, Dale
Hjelmeland, Larry
Masinter, Larry
Stefik, Mark
Farrell, Carl
Van Antwerp, Craig
Wyche, Margaret
DeFrancisci, Richard
Wharton, Kathy
Larson, Dee
Allan, Muriel

SUPPLIES

E  Research Engineer                 100
E   Research Engineer                  20
E  Research Engineer                  10
CS Computer Programmer                 50
CS Computer Programmer                 75
CS Computer Programmer                 50
Ch Senior Research Assistant           100
E   Electronics Technician               60
CS Research Assistant                 100
CS Research Assistant                  50
CS Research Assistant                  50
CS Research Assistant                 100
Ch Research Assistant                 50
  Laboratory Technician                50
  Machinist                          20
  Administrative Assistant             50
  Secretary                         50
  Secretary                         25

Time or
Effort

Office supplies                            $ 1,450
Chemicals, glassware, and laboratory apparatus           3,400
GC supplies (gases, phases, columns, etc.)                   950
Dry ice and liquid nitrogen                        1,500
Electronic supplies and parts                       3,500
GC/MS data recording media (chart paper, Calcomp, etc.)     2,100
Mini-computer supplies (paper, ribbons, tapes, disks, etc.)   1,500
Mass spectrometer repairs and replacement parts          7,600
                                     $22,000


                                              COMPOSITE - PARTS A, B, C, & D-
SECTION II - PRIVILEGE0 COMMUNICATION

    BUDGET ESTIMATES FOR ALL YEARS OF SUPPORT REQUESTED FROM PUBLIC HEALTH SERVICE
                    DIRECT COSTS ONLY (Omit Cents)

    OESCR IPTION

PERSONNEL
COSTS

1ST PERIOD
ISAME AS DE  ;\OOITIONAL YEARS SUPPORT REQUESTED lThisapp/ication only)
TAILED UUDCFTI   2ND YEAR    3R0 YEAR    4TH YEAR    5TH YEAR    6TH YEAR    7TH YEAR

302,567   357,613  377,926

CONSULTANT COSTS
llnclude fees, travel, etc.1     1,100    1,200    1,300

EQUIPMENT          3,000    3,000    3,000

SUPPLIES          22,000   22,850   24,250

            DOMESTIC   4,300    4,700    5,100
TRAVEL
            FOREIGN

PATIENT COSTS

ALTERATIONS AN0

               2,500         -
RENOVATIONS

OTHER EXPENSES      152,800   168,100   182,150

TOTAL DIRECT COSTS                                                 ,
             488,267   557,463   593,726

TOTAL FOR ENTIRE PROPOSED PROJECT PERIOD (Enteron Page 1, /tern 4) -  $ 1,639,456

REMARKS: Justify all costs for the first year for which the need may not be obvious For future years, justify equipment costs, as well as any
significant increases in any other category. If a recurring annual increase in personnel ccxts is requested, give percentage, (Use continuation
page if needed. )

PHS-398
Rev. J-70


YUDGET ULTAIL AND JUSTIPICATION

   The bu3gets for the liENbtitAL froject are presented in tour
parts,  corresponding to the four proposal sections; A, B(i) &nd
(ii), C, a113 D,  Parts A nnd C represent the portions concern4
with Heuristrc and Heta-DENDHAL; Lart B deals with the datd
System dUt3mdtiOn and iIlstrUme~lt maintenance fUnCtiOXls aS Well dS
the development aspects of GC/MS analysis of body fluids; .ind
Part I? j-5; an extension 01 DENDHAL methodolcqy to Carbon( 13)
nuclear- magnetic resonance spectromctry,

   As a qzneral note,  l'rofessor Lederberg will devote a total
of 10% ot his time to this research as the principal
Investigator. His time is budgeted as follows: 4% on Part -4, 3~
on Part Et,  and 3x on i?dL-t i'.

    The narrative comments on Parts A and t' have been combined
below because the personnel anj computer resources overlap to a
large extent.

BUDGET EXPLAdATION - PAHTS A & C

a) The personnel on the DENDHhL stafr constitute its: most
valuclble resource. All of tha people listed in the proposal ale
now working on the DYhbHAI. Project. ~11 are necessary to
support the high level of scientific activity in Chemistry (A.
Duffield, b. Smith, 5. Hdmmerum, and L. [IjelmPland) dnd
Computer Science (R. Feiqenbsum, B. Buchanan, N. Sridharnn, W.
Glhitc?, S. Ueiss, M. :;tefik, L. hasinter, dnd C. rdrrell).

fir.  l;drk S tefik's statuS will hdve changed to Reseclrch
Assistant for Part A from his current strrtus as Computer
Programmer on Part B.

Mr.  s tevk! deiss' salary has been increased in order to properly
compensate him for the duties he performs. Recent change; rn
drart board policies allow Conscientious Objectors to receive
higher compensation to reflect actual job duties. specif.rc
University approval has been requested for this increase but
has not yet been received.

Mr.  Larry lrasinter has prevrouslp been pa.id from other Funds,
but LS  essential to the NIH-teldted work.


-L-

b)  S;lllaty tigures are increased annually by 4% for merit
increases and promotions, Fringe benefit:; are budgeted at the
stan4ntd University rates of 17% through H/7Li dnd dfe increased
annually pi+r University projactions to lti.3X in 9/74, lY.3i irk
Y/75,  tint! 20.4% in 9/7b,,

No new personnel are added in Year 2. However, the salary
buciyet inz:reascs by more than the rates rioted above because ail
of Dr.  Uushanan@s salary is covered (see c) below) dnd
Professor Peigennaum returns from his le<ave of absence (se? d)
below).

c) ticuce !3ucbnnar: currently has an N'CH Career Development huaril
through t,/.3l/-lri. Houev~!r,  bezause of recent I~IH budjet
c u t. b ii c k s ,  there is a strong prohibility that tili:; dwdrd vi11 Le
cancelled betore that bate. Dr.  Ferguson of NIh stated o.rl
2/a//3 that the dv-ard could only be guaranteed through 81.74.

d) A:; notctl in thct Xntroduction to this propoSd1, br,
Feigenbaus wiil be on leave af absence with AkYA for a period
of two years. 'Phis overlaps the t.erm of this grant application
such that no salary is budyeted for Dr. Peigttnbaum durin:] the
first grant year. His salary is budgeted starting in the st-cot~d
grant year when he will formally return to his position An this
research project.

SllE'PLLES AND TRAVEL:

Off ice supplies are buuqeted based on our experience oveL the
past year.  The travel tJUdqc?t covers expected costs tor
attending professional meetings and maintaining contact with
related u3rk at other locations. Because Artificial
Intclliqcnce is a rapidly expanding fielti, it is essential to
maintain a high cicgree ok personal interaction in order to
assimilate  new developaents.  These budget items dre incr:?ased
and rountiad at IIS% per year.


-3-

0TH Ed  EXPENSES' .

Telephone costs include connectlow and usdgo for computer
termindls.  Publication costs are budgeted dt a nominal rate
based on past experience and are increased by 10% per year. In
the ca.te<jarp of ComPuter Terminal Kent, the budget for Pnrt A
includes the lease cost of 2 portable Texas Xnstruments
terminal:<.  AI, adtjitional termindl is added in 5/3'S to
dccortmoddte incrcrdsed use ot the pro,-]rams Ly !,ersonncl attd a
larger community ot St.dnforJ users.  `The i*drt L budJet coveLs
the continued leas;r? of one T.1.  terminal and dn ddditionil
terminal starting in 517s.

CoPpater time is budgeted actor-ding to current rate structurel;
basell on our on-yoing expariznce in utilizing the Stdnford
(SCC) 363/u7 and machines  dvlildble via the i\hPAhU. We rill
not adke IIS+ of the AC:FE follow-on machine (J?u/158) for Part:.
A and C because of the availability of superior Ll51! facilitik:s
on these other machine:;,  Instrument ddtd will Ge communicdted
from the 310/158 (zee Part 8) to the LISP programs for
dnalysis.


-4-

BUDGET tiYPLAYATION - PAN'S B(i) AaD 8 (ii)

   TLi:; ilullqet covc~r:i Instrumentation m~intsnance, data bystt?r
develoi;ment,  and research into apklicationi; of GC/rZS analysis OL
body fluirlt; as described in Pacts B(i) and H(ii) of this
proposdl.  I'h is budqet rel,resents a significant incredsc: ov+r that
submitt.e!d tat Part I3 of the DENDRtii yrant currently in-progress
(curreut btrjget .$&O,OO(l per ye&r).  The major reasons for this
increase a~? twofofd:  a) Increases in required personnel support
because of zarresponding dccre.tses in support from other .sourceS
and b) The need to implement our computing support from a source
other than the ACME 36i~/bO for which NIH fundiny is terminating.
We have ti,larously attemk'ted ta keep these increases to an
absolute minrmum consistent with maintaining the viability oi: ol;r
unaugmented research proclram.

   k'c? have previously receivad substantial support for our
GC/MS reseacch from NASA.  Becaase of shifting kederal prior itie:;,
however,  NASA SUpElOCt tads declined substantially and we project
will tc-?rmin*tc in the first year of this rc$newal. At the srln~c:'
time,  out r,?:;edrch hrls been movinq to emphnsize more and morr?
he,ivily tic/M5 ,ipplicat.ions in ~linicnlly Leldted asp!t?cts or
metabolic indicators of disease. I'hus it is reasonable, ds well
as necessary,  that support for this continued research shiit to
NIH.

   A:; metitioned in the 1ntro:luction to this proposal, we hdVC
an application pending w1t.h YIH-GhS for support in applyin,; the:;e
technifdues to aspects of genetic disease. These proposcrls drt?
complementary in goals and it is assumed in this budget thYlt the
Genetics Contar proposal will provide support for a md-jor
fraction (4pproximdtely 50%) of the low resolution GC/MS
laboratory (Finnigdn lC15 instrument) including personnel,
supplies, :!tc. There is, however,  a small an;ount of operational
manpower overlap betueen the tro proposed efforts. If both
proposC1lr; dre funded, d savings will result through common
operational support uh.ich uill be neyotiattitd uith hTH at the
approprintc time.

     As dissussed under tuturc plclns tar Part U(i) uf this
proposcil,  ~2 have had to plan sn alternative source of computing
to support this reSedCch because riIH subsltly of the ACC"IE: t.icilkty
termindtes in July 1373.  WC have chosen to use the
Stanford-s !,3nsored follow-on to AiME,  mount4 on an ldh 3'/.i/15n,
since uuc computer programs will operate with a minlrcum ot
modificdtisn,  This facility will operate on a Lee-for-service
basis.  Whereas its Kate structure is still evolving, ue have
estinated,  Dn the basis of available information, the cost ot
transferring our computing to that facility as reflected in our
budget ($bblr,uO:S per year).  It should be noted that this rdte
structure :f~es not inclu(;e indirect charge:; at this time. iis tht:
rate :;tructure becrjmtts better !eflncd,  the indirect cost map be


The kersonr;el budljetr?d for <T/&s application:;, lnbor%itory
opcrdtiorrs, and (Iata system development #ice nece~sarv to
achieve :)ur research ljuals r3nd are currently active in the
SC/Nr; ksrajrams. chcmi.itry :;upkort for the intcrpret,ition ot
holly fluid analyser; in coopcratlnn with our clinical
L'oll,ibor.itor:; include ijrs. A. liuffielii (L'>id), k.  i!e:rrerd (A.%),
and 2.  Sunmons (loll%). PI,  Wyzhe provides laboratory ctnd
inStKUmE!:it operation support for  the low resolution GC/M:;
laboratory. rlessc?rs ilindfleisch, VeiLade:;, keynolu;j, and Tucker
nrc! *s:;er.ti;il to the d,it(i system devt:lokw?nt effort dnd )JcoviiJo
hnrcldd~~ 3nd softwdrc maintenauce suppoK t as well. clr+sse~s
;tindrleiszr, (1OO.h) and Tucker (/5X) dC2 priru;irily L~~5~oIl~SALl6!
for the  :;3ttware system design,  implemcntlition, nno
maintenanse. Hr.  Vt?izades (1005) i:; primarily concerned dith
the hardware maintenance and development aspects of the high
resolution ilAT-.I 11 instrument dt11 Mr.  He,~rtol:.ls (LOW) with tht!
Finniqdn 1~15 low resolution instrument. k+s. A. deylilircn ( IctOX)
is ritsponsible for the operation of the high resolution Lt'/fiEIL;
instrunient  (MAT- 711). hr.  Steed (10X) provides necessary
Ilasl;vork development dno maintenance, Hr. Pearson (60%)
su)~!:arts the fabrication and repair of electronic hardware for
both instruments, arl:i i?r. DeFrancisci  (Ltl't;) proviciec neccssdr-y
mdchinlst support for mechanical repairs dnd fixtures. m:;.
All;tn (25%~ provides rwJuire3 secretarid1 :;ukl,ort f_ox t.h\t above
Inst.ruluentdtion I{esedrch Laboratory personnel.

'This mdnp>wer complemc!nt is zarried into the future year:; [is
shown.  Salaries are increase-l bj 5% per yedr and Stdff LeneLiiz
are ,:~ppl IZJ. at st.dnddtcl University rate:<. Thf+rie start dt 1 l,& in
fiscal yeair- 197U (3/73 - H//q) dnd ~ncrtiC~sC? to 18. 1 ir in 9/`?4,
19.36 in q/71), and 2Q.4X in 3/7b based on University
pro jcctions.

uur request for nd,litional e.duipment is rsinimal. We budget for
t hc  purci,a~e of a computer tzrmLna1 in the first ye,ir for
f;3,01;0.  `This repiai:es a cutrsntlf rented termin int.e:qr il to
the (;S/P?:.; data system .in(l saves 65,211O overt the three ye(lr

/ `- ,`/ .-


-t-

grant period by purcha:;in;j in stead of con tin:lF+d rental.

In the s:?zond year we budget for  an C?VC?fit. CountBE rleccss:ir~ for
proper e,juLpment maintenance for which YC! are assuming
resy)onsibi Lity.  We dlr,+ady maintain the binnigan 1C 15
instrument. and will take over the r~A'l'-~ll 1 becciuse of
proqr ess ively poorer pizrform3hcz  by VRRIAti As:;ocidte?; in
maintaining that irrstr-umc?nt 3ver the past. year. This equipment
is also naeded to in(,lement axperimental control functions on
the ~4~s spectrometer.

In the third year, repldC:ent?n t of outdated tLS:;t (27uiF:munt will
be r<?quireti.  $3, t!OO are hudqa ted for thi:; purpose.

SIJYPLLES:

s;upplies are budgeted based 3n our actual operatiny experience
and dre  a.inimizec!  consistcut with a viable resenrch effort..
Office supplies include stationery supplj es, postage,
reproduction services, etc.  *nd ate budjcted at $b3 per moIltC.
The k:udgc?t for chemical.s, g11ssw%re, anti ldborCltory ,lppaLatus
($2,500) provides thr! necessary material:; for derivCltizinq ant!
ana1yzin.j body ffuid stimples. C;L' supplies ($YSG) tinu dry ice
and liqui:l nitrogen ($1,500) ard necessary tor instrument
operdtion dnd arc balied ;,n past zxparience. The 1 ar Jest pdLt of
the liquid nitro.jen rludig?t i..;  us;od for the high re;olutlon
i 11 s t. L. :1 m 9 II t .  Electronics supplies and part:; (63,5.jZ) incl!ldc?
circait t'3drdS,  scmi.-cor,duct3~s, etc. tiec+ded for a!tis;s
spectron'+ter control electronics such as ior the mr?taStdljle
acqui~-;i.ti3n system dS well d3  for maintainirl,j ou1 cxistincj te:.t
equi[.mc?nt. (oscilloscopr2s, vol tmetcrs, power :;uppl me:;, et.;:.) .
GC/Pl, d.it a Lecorc: iny media  (hi, IOG) include \:t1clrt dllil Ccl lcou!p
plott c?f {tapers 01 val ious types (includinlj hV-sf2r:;itive) tgCiiscr
for thr? y.k r-7 11) for tile [JUIIJOse of LCcOL ding nldss :;CeCt.rouIet.!`r
and yas chromato,~raph cffl urzn t tia ta. The t:udgeteci (1 r;roun t
reflects 3ur usajc over the past year. SimilCirly, mLni-cr)?1putr:r
SuppJlieS (h1,500) include Tel etype and line printer paper ,intl
ribbons,  O dgnetic tapes (DEC tdpz and ItiF. co%pat-ibl+? tape) , drlu
dir:k cartridges &laser1 on previous usage history. ,The budget for
masr; spectrometer  repair5 anl replacement parts (A7,tGG) covets
our mCiint.znance of these in:;t ruuionts based in part on
predict.Iblc repldc2ment.s (tilamcnts, izultlpllers, t:tc.) S4rld ill
part. on dn estimhte t'ron: pr!Jvious experittncz of ~insctkef1uLeci
prot:lcms (2ower :;uppLitis, valvti~, pumps, etc.).

rhe b-.IJp?lies bud jet tot future ir?drs COV~~I`S ti:t?=;e :;ime ~t.errts
with 6% ildded for incrt?ascd usage and inilation.

. _


- I-

`S R A V ii L :

We h.ive h3(! problems with thcrmdl overloads on the high
rc?SOlUtion Pdss spectrometer inStrUIIIf?nt and associated
electronics during the summer months. In addition, because of
the atodified comiJutinJ configuration required by the ACME
transition,  we will locate a disk and printer equipment in the?
same labocatory to support the mini-computer interfacing the
MAT-III.  Chese conditions require an augmentation to existing
air-conditioning and [ower facilities in the laboratory
estimated at $2,509.

OTDbR EXPENSES:

We budget Lor telephone dnci data communications service based
on our cur rent experience  ($103 per month). T-n addition, ;61,C,>
is budgeted for publication c osts and 54,6Oti for mini-co:nputcr
maintenancti. This  maintenance is an extension of our current
conttact with Digital Equipment Corporation and includes the
prevailing 10X discount in the Stanford/UK contract.

We budget for data re<lUCt.ion and storage comijuting costs on the
ACRE tollBu-on machine (370/15tir as follows, based on our QCn,:
experience and current information on the follow-on system r,3te
Stf'rlctuf~,  We consume dpptoximately 300,000 page-minutes of
computinf] per month on ACME for developmc?nt dnd production
computing.  At a rate or $.OL per page-minute, this comes to
$6,QCO per month. In addition,  UC USC approximat<*ly $L,UG!J per
month for- data stora:jtZ (LCI,O!IC blocks at ii. 10 [ier irll,ck per
month),  This gives d total of Cr6,OOi-I per- year and dpt,ly:ir:;;l a
projected 30X discount:rate for hi)h volume usage, leaves cln
estimated net cost of $64,000 per year.

'T hesc.1 estimates are .increasej by 6% in succeeding years for
increased usage dnll inflation.


-u-

DUDGET EZPLANATION - PAW D

   '1'Lis Lu(iget covers the portion of the research program tihich
extends the I)ENDRAL mcthodoloyy to Carbon(13) .Juclaar baync?tAc
Resonance spectrometry.

PERSCINN!?L:

The personnel budget includes a salary tar Dr. R. carhart tifte?r
the cxpitation of his hIH Pellotishiy in h/74, one Post Doctoral
Reseiirch Associate (to ba added to the staft), dnd one
half-tiaz Hesearch Assistant (fir. Van Antwerp). Ho fundinq is
requc:;teti for Dr. Carl Djerassi's time (:j%). A Computer
Programwzr (to be added to the staff) is budgeted in lY'l'> to
assume the additional anticipated programming duties.

Salaries are increased by 5% rer year and staff benefits are
applied at standard Unrversity rates. These start at 17% in
fiscdl year 1974 (9/73 - R/74) and increase per University
projection; to la.3A iti 9/74, ly.35 in 9/75, and 20.4% in Y/70.

SUPPLIES:

MC? tluticjct 0900 for chemical supplies for the [Ireparation of
test Sdmples.

l'RAVKL:

We budget. $530 to covef one east coast tr.ip.

OTHER EXPENSES:

Other exE,enses include I;lUi, for publication and reproduction
costs anrl $7,500 for usaqe of th;;! existing NMH instrument in
the tiepattment of Chemistry.  Thus NMH usa.)a is budgeted ,-rt
standard rates cover-in3 15 hours of usage' per month dt 625 per
hour.  in silditiori,  we budget for use of the :;t.dnforii (SC?)
36U/t~7 computer where CN& analysis pro!~c:tn:s, ,:lt the currc:nt
level of 3ovelopment, dre run.  'These co;;ts are computed (in th-2


-9-

basis of 1.5 hours of usage per month at approximately $bOU per
hour.


BIOGRAPHIES


zz-

     LEDERBERG, JOSI!UA
PLACE OF 61fl :li ICI:Y. StJCd, Ckw~tryl

-.-
( FiT,Z
I                       IilIPTHOATE ihfa, try, fr.,
7' --uCcls~idr and Execut ivc Head,
. i
Department of Genetics         5-2 3-25             -
PRESENT NATIONALITY (If non-U.S cir~rsn,   !SEX
lndtcata kind of vim rnd 8xprafIon dare)    I

INSTITUTION AN0 LO;3ATlGN              DEGREE         YEAQ            SCIEXTIF IC
                                            CONFERRED            FIELD

Columbia College, Sew York               B.A.        1944
College of Physicians 6 Surgeons,
Columbia University, New York (1944-46

Yale University
HONORS

1 Ph.D.     I 1947        \i(.

1957 - National Academy of Sciences
1958 - Nobel Prize in Medicine

MWOR RESEARCH INTEREST

ROLE IN PROPOSED PROJECT

Molecular Genetics; Artificial Intelligent    PRINCIPAL INVESTIGATOR

SEE ATTACHMENTS:

RESEARCH A&D,08 PROFESSl3NAL EXPERIENCE ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ LtSfall
ormost nprs8naav4 publ#w:;ons  30 nor aceed 3 p;ci for och rn&trd.;al.)
1961-     Stanforc University

i95t-b     Director,
       Prof&sor, Kennedy ,Labqratories .for Molecular Medicine  ?'. . . .    .:, ,... : ,..._. .., , ,_
           Genetics 'and Biology, and Executive Head, Department of
         Genetics, Stanford University                     -

1957-1959   University of Wisconsin
        Chairman, Department of Medical Genetics
1957     Melbourne University, Australia
       Fullbright Visiting Professor of Bacteriology
1950     University of California, Berkeley
      Visiting 'Professor of Bacteriology
1947-1959  University of Wisconsin
        Professor of Genetics
1.946-1947  Yale University.  Research Fellow of the Jane Coffin.Childs Fund for:
           Medical Research
1945-1946  Colunbia University.  Research Assistant in Zoology
Professional Activities:

196 7-      NIMH:  National Mental' Health Advisory Council
1961-1962  President (Kennedy)'5 Panel on Hental Retardation
1960-      LISA Committees:  Lunar and Planetary Missions Board
1958--   National Academy of Sciences:  Committees on Space Biology
19500    Prceident's Science Advisory CommFttee panels;  National Institutes
        of Health, National Science Foundation study sections (genetics)
RHS3%l
Rw. 3-70


RESEARCH SUPPORT SUMMARY FOR JOSHUA LEDERBERG

Grant Number               Grant Title

1) NASA:NGR-05-020

Cytochemical Studies of Planetary
Micro-organisms

2) NIH:AI-05160

Genetics of Bacteria

3) NIH:RR-00311

Advanced Computer for Medical Research
(ACME) Stanford Medical School Facility

4) NIH:GM-

Genetics Research Center
(J. Lederberg,Principal Investigator

5) NIH:RR-00785

Stanford University Medical
Experimental Computer Facility (SUMEX)
Successor to 83

Current Year    Total Award

$ 180,000      $3,800,000

60,000        280,000

362,632      2,612,632
          (yrs 4-7)
547,035       2,609,383

884,660       5,960,417

6) NIH: Computer Lab-
  oratory Health
   Care Resource
  Program

Large Scale Screenin. of Body Fluids
for Metabolic Signs of Disease with
Computer-managed Gas Chromatographv
and Mass Spectrometry

159,881        900,238

7) NIH:GM00295        Training Grant in Genetics             143,964        756,650

  Grant Term   Budgeted
              % Time

9160-8173        4%
(Future support
   dubious)
9/68-8173       15%
(Renewal pending)

1966-7173
(see F5)
9173-8178
(Pending)
9173-8178
(Pending)

25%

10%

20%

9173-8178       10%
(Pending,Program
funds impounded)

7169-6173
(Renewal
pending)

15%


SELECTED LIST OF PUBLICATIONS

Lederberg, J., 1959
    A View of Genetics
    Les Prix Nobel en 1958:  170-89.

Buchs, A., A. B. Delfino, A. PI. Duffield, C. Djerassi, B. G. Buchanan,
   E. A. Feigenbaum, and J. Lederberg, 1970.
   Applications of Artificial Intelligence for Chemical Inference,
    VI.  Approach to a general method of interpreting low resolution
   mass spectra with a computer.  Helvitia Chimica Acta 53 (6): 1394-1417.

Feigenbaum, E. A., B. G. Buchanan, J. Lederberg, 1971
   On generality and problem solving: a case study using the DENDRAL
   program in Machine Intelligence 6, (B. Meltzer and D. Michie, eds.),
   Edinburgh University Press, P. 165-190.

Reynolds, W. E., V. A. Bacon, J. C. Bridges, T. C. Coburn, B. Halpern,
   J. Lederberg, E. C.. Levinthal, E. Steed, R. B. Tucker, 1970
   A Computer Operated Mass Spectrometer System.
   Analvtical Chem. 42:1122-1129, September 1970.

Lederberg, J.

"Use of Computer to Identify Unknown Compounds: The Automation of
Scientific Inference" in Biochemical Applications of Mass Spectrometry
(G. R. Waller, ed.). John Wiley & Sons, New York (inpress).


3tLI ION II -PRIVILEGED COMMUNI(:ATION           Principal Investigator: Carl Dierassi
                       BIOGRAPHICAL SKETCH

      (Give the following information for all professional personnel listed on page 3, beginning with the Principal Investigator,
                Use continuation pages and follow the same genera; format for each parson.)
NAME                                                    --
                                        TITLE                       BIRTHDATE f#o., Day, Yr.)
Carl DJERASSI              Professor of Chemistry       October 29, 1923
PLACE OF BIRTH (City, State, Country)           PRESENT NATIONALITY I/f non-U.S. citizen,    SEX
                             indicate kind of visa and expfratinn date)
Vienna, Austria                  U.S.A.                  a Male   0 Female
                  EDUCATION (Begin with baccalaureate training and include postdoctoral)

lNSTlTUTlON AND LOCATION                DEGREE         YEAR             SCIENTIFIC
                                              CONFERRED            FIELD

Kenyon College                A. B. (summa    1942
                      cum laude)        Chemistry, Biology

University of Wisconsin               Ph.D.        1945   Organic chemistry,
                                          Biochemistrv (minor)
HoNoRS Hon. D.Sc., Natl. Univ. of Mexico (1953), Kenyon College (1958), Worcester Polytechnic
Institute (1972); Hon. Prof., Fed. Univ. Rio de Janeiro (1969). Member U.S. National Academy of
Sciences, American Academy of Arts and Sciences, foreign member, Royal Swedish Academy of Sciences
                            Brazilian Academv of Sciences, (cont. below)
                                    ROLE IN PROPOSED PROJECT'

Principal Investigator

                                       Current   Tota I      % Time
Grant           Title              Period      Year
                      -                        Budgeted   Effort
NIH AM 04257    Mass Spectrometry in
          Organic and Biochemistry  10/l/70 to   $56,833 $316,016     10%
                      9/30/75
NIH GM AM     Marine Chemistry with   l/l
    06840-l 5   special emphasis on steroids / 73 to   112,550  578,180     18%
                               12 31/77
This is a pending application which, if approved, will represent a renewal of my current NIH Grants
No. GM 06840 and No. AMCA-12785, both of which expire in 1973.
                                                       *

RESEARCH ANOKIR PROFESSIONAL EXPERIENCE (Starting withpresentposition,/jst trainingandexperiencerelevant toarea ofproject ListaN
or most representative publications.  Do not exceed 3 pages for each individual,/
Academic Experience:
Protessor ot Chem 1 shy, Stanford University, 1959-present.
Associate Professor (1952-1954) and Professor (1954-1959), Wayne State University.
Industrial Research Experience:
C`b Pharmaceutical Co., Summit, N.J.:
Sinyex Corporation            Research Chemist, 1942-1943 and 1945-1949.
                  : Associate Director of Chemical Research (Mexico City) 1949-1952,
Research Vice President (Mexico City) 1957-1960; (Palo Alto, California) 1960-1968,
President, Syntex Research 1968-present.
Editorial Boards:
Current) Journal of the American Chemical Society, Steroids, Tetrahedron, Organic Mass Spectrometry.
                     (continued on next page)

Honors (cont.)
Mexican Academy for Scientific Investigation. Hon. Fellow of Phi Lambda Upsilon. Amer. Academy of
Pharmaceutical Sciences, British Chemical Society and Mexican Chemical Society, Phi Beta Kappa.
Numerous hon. lectureships including 1964 Centenary Lecturer (The British Chemical Society) and 1969
Annual Chemistry Lecturer, Royal Swedish Academy of Engineering. American Chemical Society Award
in Pure Chemistry (1958), Baekeland Medal (1959), Fritzsche Award (1960). Intra-Science Research
Foundation Award (1969). Freedman Patent Award of American Institute of Chemists (1971).
Foreign Member, Royal Swedish Academy of Sciences (1972). D.Sc. (hon.), Worcester Polytechnic
Institute (1972). Scheele-Lecturer, Pharmaceutical Society of Sweden (1972); American Chemical
et-IS-398 Soctety's Award t or Creatrve Inventron
Rev. 3-70


ESEARCH AND/OR PROFESSIONAL EXPERIENCE (cont.)

BIOGRAPHICAL SKETCH (C. Djerassi)   Continuation page  Principal Investigator:Carl Djerassi

R~

iv
T
k

0

a

P

lisce I laneous:

hairman of the AAAS Gordon Research Conferences on Steroids and Natural Products (1952-1954);
lember of American Pugwash Committee (1968 to present); Chairman of Latin America Science Boarc
f National Academy of Sciences (1966-1968); Ch
nd Technology for International Development.  airman of National Academy's Board on Science

UBLICATIONS

d

Author or co-author of 750 publications and six books. Approximately 150 papers and one book
eal with various applications of chiroptical methods in organic and biochemistry.


SECTION II -PRIVILEGED COMMUNICATION
                        BIOGRAPHICAL SKETCH
      (Give the following information for all professional personnel listed on page 3, buginning with the Principal Investigator.
                 Use continuation pages and follow the same general format for each person.1
NAME                                  TITLE
                      Principal Investigator,        BIRTHDATE (MO.. Day, Yr.l

Feigenbaum, Edward A.           DENDRAL Project            l-20-36

PIACE OF BIRTH ICiry, Stare, Country)

PRESENT NATIONALITY i/f non-U.S citizen,
indicate kind of visa and expiration date)

SEX

Weehawken, New Jersey              U.S. Citizen               a Male   0 Female
                 EDUCATION (Begin with baccalaurea@ training and include postdocroral)

          INSTlTUTlON AND LOCATION

Carnegie Institute of Technology
Pittsburgh, Pennsylvania

DEGREE

B.S.
Ph.D.

  YEAR             SCIENTIFIC
CONFERRED            FIELD

19%    Electrical Engineering
1959     Behavioral Sciences.

HoNoRS and memberships:

    American Psychological Association; Association for Computing Machinery (Member
   of the National Council 1966-68);  Am erican Association for the Advancement of
    Science.
blAJOR RESEARCH INTEREST                      ROLE IN PROPOSED PROJECT

Artificial Intelligence
RESEARCH SUPPORT (See instructions)

Principal Investigator

kESEARCH ANDIOR PROFESSIONAL EXPERIENCE (Starting withpresentposition. list traininqandexperience relevant to area ofproject List all
or most representative publications.  Do not exceed 3 pages for each individual.)
1965-    Stanford University, Computer Science Department Faculty
1965-1968 Stanford University, Director, Computation Center
1963     Summer Research Training Institute in Computer Simulation of Cognitive
       Processes (National Science Foundation)
1962     Carnegie Corporation.  Sumner Research Training Institute in Heuristic
       Programming. Faculty member.

1960-1964 University of California, Berkeley
      Research-Center for Research in Management Science, 1960-1964
      Research-Center for Human Learning, 1961-1964
        Assistant and Associate Professor, School of Business Administration, 1960-64
1957-1960 The RAND Corporation, Santa Monica, California
19%     IBM Scientific Computing Center, New York

Selected Publications:

"Applications of Artificial Intelligence for Chemical Inference 1.  The Number
of Possible Organic Compounds.  Acyclic Structures Containing C, H, 0 and N",
J. Am. Chem. Sot., 91, 2973 (1969).  (Co-Author).

"Applications of Artificial Intelligence for Chemical Inference II.  Interpretation
of Low Resolution Mass Spectra of Ketones", J. Am. Chem. Sot., 91, 2977 (1969).
(Co-Author).

R HS-398
Rev. 3-70


Publications of Edward Feigenbaum

"Applications of Artificial Intelligence for Chemical Inference III.
Aliphatic Ethers Diagnosed by thctir Low Resolution Mass Spectra and Nuclear
Magnetic Rcsonancr:", .T. Am. (!hern. :;oc. , 31, '7111'0 (1363).  (Co-Author).

"Heuristic DISNDNAL:  A I'rogram for Generating l~:xpla.natory Il.ypoI,he::e:: in
Organic Chemistry", in Machine Intelligence 4, Edinburgh University Press,
1969.  (Co-Author).

"Toward an Understanding of Information Processes of Scientific Inference
in the Context of Organic Chemistry", in Machine Intelligence 5, Edinburgh
University Press, 1970.  (Co-Author).

"A Heuristic Program for Solving a Scientific Inference Problem: Summary
of Motivation and Implementation", Stanford Artificial Intelligence Project
Memo No. 104, November 1969.  (Co-Author).

"Applications of Artificial Intelligence For Chemical Inference IV.   Saturated
Amines Diagnosed by Their Low Resolution Mass Spectra and Nuclear Magnetic
Resonance Spectra", Journal of the American Chemical Society, 92, 6831 (1970).
(Co-Author).

"Applications of Artificial Intelligence for Chemical Inference V. An
Approach to the Computer Generation of Cyclic Structures.   Differentiation
Between All the Possible Isomeric Ketones of Composition C6HlOO", Organic
Mass Spectrometry, 4, 493 (1970). (Co-Author).

"Applications of Artificial Intelligence for Chemical Inference VI.  Approach
to a General Method of Interpreting Low Resolution Mass Spectra with a
Computer", Chem. Acta Helvetica, 53, 1394 (1970).  (Co-Author).

"On Generality and Problem Solving:  A Case Study Using the DENDRAL Program",
in Machine Intelligence 6, Edinburgh University Press (1971). (Co-Author).

"A Heuristic Programming Study of Theory Formation in Science", in proceedings
of the Second International Joint Conference on Artificial Intelligence,
Imperial College, London (September 1971).  (Co-Author).

"Applications of Artificial Intelligence for Chemical Inference VIII. An
Approach to the Computer Interpretation of the High Resolution Mass Spectra
of Complex Molecules.  Structure Elucidation of Estrogenic Steroids",
Journal of the American Chemical Society, 94, 5962-5971 (1972). (Co-Author).

"Heuristic Theory Formation:  Data Interpretation and Rule Formation", in
M&chine Intelligence 7, Edinburgh University Press (1972).  (Co-Author).

"Applications of Artificial Intelligence for Chemical Inference X.  Datsum.
A Data Interpretation Program as Applied to the Collected Mass Spectra of
Estrogenic Steroids", to be submitted.  (Co-Author).


SECTION II -PRIVILEGED COMMUNICATION
                        BIOGRAPHICAL SKETCH
     (Give the following information for al/professional personnel listed on page 3, beginning with the Principal Investigator.
                Use continuation pages and follow the same general format for each person.)
NAME                                   TITLE                        BIRTHDATE (MO., Day, Yr./
Buchanan, Bruce G.             Research Computer Scientist     7-7-40

PLACE OF BIRTH (City, State, Country)          PRESENT NATIONALITY I/f non-U.S citizen,     SEX
                              indicate kind of visa and expiration date)
St. Louis, Missouri                U.S.Citizen                m Male   0 Female
                   EDUCATION lBco;n wirh 6accaL~raare trainmo dnd include Dostdoctorall

          INSTITUTION AND LOCATION

Ohio Wesleyan University
Tlichigan State University

  DEGREE         YEAR             SCIENTIFIC
              CONFERRED            FIELD

B.A.      1961      Mathema%ics
M.A., Ph.D.  1966     Philosophy

HONORS

Recipient of National Institutes of Health Career Development Award (1971-1976)
Invited Speaker at 1972 National Institutes of Health Symposium on Numerical Methods F:;
Chemistry (Washington)
MAJOR RESEARCH INTEREST                      ROLE IN PROPOSED PROJECT

Associate Investigator

RESEARCH SUPPORT /See instructions)

RESEARCH AND/OR PROFESSIONAL EXPERIENCE lStart.ing with present position, list training and experience relevant to area of project  List a//
or most representative publications.  Do not exceed 3 pages for each individual.)
1?72-present Research Computer Scientist, Stanford University
1966-1971   Research Associate, Stanford Artificial Intelligence Project

Publications:

lrOn the Design of Inductive Systems:  Some Philosophical Problems".  British Journal
for the Philosophy of Science 20 (1969), 311-323.  (Co-Author),

"Applications of Artificial Intelligence for Chemical Inference II.  Interpretation
of Low Resolution Mass Spectra of Ketones".  Journal of the American Chemical Society,
91, 2977-2981 (1969). (CorAuthor).

"Applications of Artificial Intelligence for Chemical Inference I.   The Number of
Possible Organic Compounds:  Acyclic Structures Containing C, II, 0 and N".   *Journal
of -ihe American Chemical Society, 91, 2973-2976 (1969).  (Co-Author).

"Applications of Artificial Intelligence for Chemical Inference III.  Aliphatic
Ethers Diagnosed by Their Low Resolution Mass Spectra and NMR Data".  Journal of the
American Chemical Society, 91, 7440-45 (1969).  (Co-Author).

"Heuristic DENDRAL:  A Program for Generating Explanatory Hypotheses in Organic
Chemistry".  Machine Intelligence 4, Edinburgh University Press (1969). (Co-Author).

RI-IS-398
Rev. 3-70


Publications of Bruce Buchanan:

"Toward an Understanding of Information Processes of Scientific Inference in the
Context of Organic Chemistry".  Machine Intelligence 5, Edinburgh University
Press (1969). (Co-Author).

"On Generality and Problem Solving:  A Case Study Using the DENDRAL Program".
T~lachine Intelligence 6, Edinburgh University Press (1969). (Co-Author).

sze Speculation About Artificial Intelligence and Legal Reasoning".   Stanford
Law Review, Vol. 23, No. 1, November 1970.  (Co-Author).

"hpplieations of Artificial Intelligence for Chemical Inference VI.  Approach ts
a General Method of Interpreting Low Resolution Mass Spectra with a Computer".
Chemica Acta Helvetica, 53, 1394 (1970).  (Co-Author).

"An Application of Artificial Intelligence to the Interpretation of Mass Spectra".
Ilass Spectrometry Techniques and Appliances (1970).

"Applications of Artificial Intelligence for Chemical Inference IV.   Saturated
Pmines Diagnosed by Their Low Resolution Mass Spectra and Nuclear Magnetic Resonance
Spectra".  Journal of the American Chemical Society, 93, 6831 (1970). (Co-Author).

"The Heuristic DENDRAL Program for Explaining Empirical Data".  Proceedings of
IFIP Congress 1971, Ljubljana, Yugoslavia.  (Co-Author).

"A Heuristic Programming Study of Theory Formation in Science".  Proceedings of
second International Joint Conference on Artificial Intelligence, Imperial College,
London (1971).  (Co-Author).

"Applications of Artificial Intelligence for Chemical Inference VIII.  An Approach
to the Computer Interpretation of the High Resolution Mass Spectra of Complex
!blolecules.  Structure Elucidation of Estrogenic Steroids".   Journal of the American
Chemical Society, 1972.  (Co-Author).

"Heuristic Theory Formation:  Data Interpretation and Rule Formation".   Machine
Intelligence 7, Edinburgh University Press (1972). (Co-Author).

llReview of Hubert Dreyfus' 'What Computers Can't Do:  A Critique of Artificial
Reason"', Computing Reviews (January, 1973).

"Applications of Artificial Intelligence for Chemical Inference IX.  Analysis of
Mixtures Without Prior Separation as Illustrated for Estrogens".   Submitted to the
Journal of the American Chemical Society.  (Co-Author).

"Applications of Artificial Intelligence for Chemical Inference X.   Datsum.   A Data
Interpretation Program as Applied to the Collected Mass Spectra of Estrogenic
Steroids".   To be submitted.  (Co--Author).

Memberships

Association for Computing Machinery (ACM)
Philosophy of Science Association
American Association for Advancement of Science (AA&S)


PLACE OF 8iRTH (ClCV. Stdte, Counuy/         PHESENT ?uATIONALlTY /l/non-U,S c,rizcn,
                          indicate kind of viu and uxpirJt,on &tc}
Perth, Western Australia

                   EDUC,\T:O`. I.;..:

       INSTITUTION AND LOCATION

University of Western Autralia

University of Western Australia

  DEGREE         YEA3            SCIE'JTIFIC
         CONiEr?RED          FiE'-5
B. Sc(lst Class
    Hons)  1958   Organic C:rez=istrjl
Ph.D.      1962    Organic CteEsitry

MAJOR RESEARCH INTEREST                   ROLF IN PROPOSED PROJECT
Applications of mass spectrosletry to
Piolow and Biomedccal Problems       Organic Chemist/mass spectroscop?st

RESENICn SW?ORT (Scarnscructions~
     N/A

1970 -    3esearch Associate, Department of Genetics, Stanford ijniversity
        School 0:` 2Zedici.39
1969 -      Sead of the ikss S?ectroxetry Laboratory, Chexistry Depztmer,;

1965 - 69   St3nford L!;Tniversity
       .?cZcsrck Associate,
1963 - 65             2eTartment of Chenlstry, S Zanford ':civa,-sl:y

   1962 - 63  P'os'tioctorai Fellow, Department ofnChemistry, S'kanforci lJnive,-sity
         ?~~~doctoral Fellow, Department of Biochemistry, Stanford University
     .
.            School of Medicine.
      - -

--- --. - --                                                  .

PUBLICATIONS SIFCE-1971

           Mass S?ect:a.
ne, td., JUICES vvllGy and Sons,

1.  An Application of Artificial Intel!isznce to t!;e l~~erpr~tfti;;:~~
     Moss Spectrometry,   B.W. G. Mil            A I

    New York, 1971, PF,. 1;1-178
    8y B . G 3!Jchoncn, A. M. Duffieid and A. V. Robertson


2.  Mass Spectrometry in Structural x.3 Stereochemical Problems. CCIV.   ,ze,,tr3
  of Hydantoins.11. Electron Impact Induced Fragmentation of some Subsiituteti
  Hydantoins.

Org. Mass Spectr., 2, 551 (1971)
By R. A. Corral, 0. 0. Orazi, A. M. Duffield and C. Djerassi

3. Electron Impact Induced Hydrogen Scrambling in Cyclohexanol and Isoczric
Methylcyclohexanols.

Org. Mass Spectr., 5, 383 (1971)
By R. H. Shapiro, S. P. Levine and A. M. Duffield

4. Derivatives of 2-Biphenylcarboxylic Acid.
     Rev. Roumain. Chem., 16, 1095 (1971)
    By A. T. Balaban and KM. Duffield

5. Alkaloide aus Evonymus europaea L.
    Helv. Chim. Acta, 54, 2144 (1971)
    By A. Kldsek, T. Rzchstein, A. M. Duffield and F. Santa*

6. Studies on Indian Medicinal Plarts. XXVIII.  Sesquiterpene Lactones cf
Enhydrc Fluctuans Lour. Structure? of Enhydrin, Fluctuanin and Fluctuadin.
     Tetrahedron, 2-8) 3as5- ci37.0
    By E, Ali, P. P. Ghosh Dastidar, S. C. Pakrashi, L. J. Durham
      and A. M. Duffield

7. The Electron Impact Promoted Fragmentation of Aurone Epoxides.
     Or2 . Mass Spectr., 2, 199 Ci972j
    By B. A. Brady, W. I. O'Sullivan and A. M. Duffield

8. The Determination of Cyclohexylamine in Aqueous Solutions of Sodium Cyclsmste
by Electron Capture Gas Chromatography.
   Anal. Letters, ', 3C1 (19?1)
    By b!. D. Soloman, g. E. Pereira and A. M. Duffield

9. Computer ?.ecognition of Yetastabie Ions. Nineteenth Annual Ccnference CT.
Mass Spectrometry, Atianta, 1971, p. 63
   By A. M. Duffield, 'N. Z. Reynolds, D. A. Anderson, R. A. Stillsan, Jr.
      and C. E. Carroll

10. Spectrometrie de Masse. VI.  Fragmentation de Dimethyl-2,2-dioxolanes-l,3-
   Insatures.

    Org. Mass Spectr., 5, 1409 (1971)
     By J. Kossanyi, J. Chuche and A. M. Duffield
11, Chlorpromazine ?I~tabolism in Sheep. II. In vitro Metabolism and Preparatien
  of 3H-7-Hydroxychlorpromazine.            --

    Journees D'Agressologie, 12
   By L. G. Brooks, M. A. Ho&$ 333 Cl9711
                        , I. S. Forrest, V. A. Bacon,
      A. M. Duffield and M. D. Solomon

12., Mass Spectrometry in Structural and Stereochemical Problems. CCXVII.
Electron Impact Promoted Fragmentation of O-Methyl Oximes of Some
  a,B-Unsaturated Ketones and Methyl Substituted Cyclohexanones.
    Canadia;; J. Chem., 50, 2776 (1972)
     By Y. M. Sheikh, R.?. Liedtke, A. M. Duffield and C. Djerassi


  Wilfred E. PEREIRA              Research Associate        June 23 lC36
PLACE OF BIRTH (City, State, Country)          PRESENT NATIONALITY (Ifnon-U.S crtizen.    SEX
                            indicate kind of vim and expirarion dare)
  Madras, S. India           Indian, Permanent Resident
                                ImmiFrant Visa         @ Male   1 Fe---,,+
                      EDUCATION (Em/n with baccalaure3:e tralnm and rnclude ~o.~tdoctwa1J

INSTITUTION AND LOCATION               DEGREE

Madras Medical College, Madras, India
Saugar Univ. Madhya Pradesh, India
U.C. Med. Center, San Francisco, Calif

B. Pharm
M. Pharm
Ph.D.

HONORS

  YEAR            SCIENTIFIC
CONFERRED            FIELD

1960    Pharmaceutical 'kezistry
1962     Pharm. Chem & Chec of :;a:.;:
1968     harm. Chem & ?harvrq3:C.T2*
                              h-&c

MAJOR RESEARCH INTEREST
Identification of Metabolites t drug
metabolites in Biological fluids
RESEARCH SUPPORT lSeeinstructionsl

ROL' IN PROPOSED PROJECT

       Organic chemist

RESIZA.RC~ ~~30 CR ?~QZESSIONAL ExpEqlExCE is;JT;/rq ;r,i~ 0~35~"~ oosition, /ist r+ninqand expermcereIsnt toarea 3fUrOlecI L:j: j 4
or mcp represenQf?ove pbti1c3t1ons
1906               Do no: exceed 3 pages for edch mdivmual.1
   - l?!O Fost Doctoral Fellow, Cept.
1970                     of Genetics Stanford University Med. School
   - present Research Associate same institution
During: these four years I have been involved with peptide synthesis, amino acid analysis
and synthetic organic chemistry.  I helped develop methods for the separation of
diasterioisomers by gas chromatography and have been involved with the routine use of
gas chromatography @ass spectrometry for the identification of urinary metabolites in normal
and pathological urine and serum samples.  t@ applications of mass spectrometrg have
iccluded the deveolsment of mass fragrnentography for the determination of the amino acid
contents of soil and plksrnmly serum.  My present project involves the screening of urine
kOm leukemic patients for abnormal metabolites and to investigate the metabolic fate of
anti-leukemic chemotherapeutic agents in the body.

PUBLICATIONS

1.  TransesterificatiOn with an Anion-exchange Resin;
  w, Pereira, V. Close, W, Patton and B. Halpern,
J, Org. Chem. 2:2032 (1969)-

2. Alcoholysis of the Merrifield-type Peptide-polymer Bond with an hion
  Exchange Resin;
  W. Pereira, V. A. Close, E. Jelly, W. Patton and B. Halpern,
Australian Ji of Chem. 22:1337 (1969).


        ..z: "
.-.. . . . _A__*?-;
Publications

13.

14.

15.

16.

17.

18.

19.

20.

El.

22.

Thermal Fragmentation of Quinoline and Isoquinoline N-Oxides in the IO:;
Source of a Mass Spectrometer.

Acta Chem. Stand., 26, 2423 (1972).
By A. M. Duffield and 0. Buchardt

Applications of Artificial Intelligence for Chemical Inference. ','I:. .;:.
Approach to the Computer Interpretation of the High Resolution I.!ass C----r=
                                                                           -iz- -- I
of Complex Molecules.  Structure Elucidation of Estrogenic Steroids. -
  J. Amer. Chem. Sot., 94, 5962 (1972)
  By D. H. Smith, B. G. Buchanan, R. S. Englemore, A. M. Duffield,
  A. Yeo, E. A. Feigenbaum, J. Lederberg and C. Djerassi

Mass Spectrometry in Structural and Stereochemical Problems. CCXIX.
Identification of a Unidirectional Quadruple Hydrogen Trmsfer Process
in 7-Phenyl-hept-3-en-2-one O-Methyl Oxime Ether.
  Org. Mass Spectr., $1271 (1972).
   By R. J. Liedtke, Y. H. Sheikh, A. M. Duffield and C. Djerassi
An Automated Gas Chromatographic Analysis of Phenylalanine in Serum.
  Clinical Biochem., 5 166 (1972)
  By E. Steed, ;J. PerZ!ra, a. Halpern, M. D. Solcmcn a.nd
   A. M. Duffield

Pyrrolizidine Alkaloids. XIX.  Structure of the Alkaloid Erucifoline.
  Coil. Czech. Chern. Cc?xmun.,      (1972)
  By P. Sedmera, A. Klasek, A. :4. Duffield and F, SantaG.

Mass Spectronetry in Struc,u,
                   + -al and Stereocfiemical ?rcSle;?s, CCXKI.
Delineation of Cczpeting ?a,Fentation Pathways of COF.~~??~ `.Iol?.:'-lGS
from a Study of I?etastable Ion Trznxitinns nf DeuterateS Zerivz:L:es.
   Org. Mass Soectr., L,   (1973) ,
  By D. H. Smith, A. 14. Duffield and C. Djerassi

Chlorination Studies I.  The Reaction of Aqueous Hypochlorous Acid with
Cytosine.

Biochem. Biophys. lies. CorxTun., 48, 880 (19721
By W. Pattcn, 'I. Bacon, A. !4. DuEield, B. Halpern, Y. Xoyano, Y.
Pereira and J. Lederberg

A Study of the Elec tron InDact Fragmentation of Pronazine SUl;hCXide
and Promazine using Specifically Deuterated Analogues.      .
   Austral. J. C'nem., 26,   (1973).
  By M. D. Solcnon, R. Summons, W. Pereira and A. M. Duffield

Spectrometric de Masse. VIII.  Elimination d'eau Induite par Impact
  Electronique dans le Tetrhydro-1,2,3,4-naphtalenediol-1,2.
   Org.  Mass.  Spectrom., 7   (1973).
   By P. Perros, J. P. Morizui, J. Kossanyi and A. M. Duffield

The Determination of Phenylalanine in Serum by Mass Fragmentography
   Clinical Biochem., submitted for publication (1973).
  By w, E. Per-ira, V. A. Bacon, Y. Hoyano, R. Summons and A. y. Duffield


3.  The Action of Ritrosyl Chloride on Enenylalanine Peptides;
  W. Patton, E, Jellum, D. Xitecki, W. Pereira and B. Halpern,
Australian J. of Chem. 22:2709 (1969).

4. Abnormal Circular Dichroism of d -Amino Acid Esters;
  J. Cymerman Craig and W. E. Pereira,
Tet. Let. g:1563 (1970).

5.  The Use of (+)-2,22-Trifluoro-l-Phenylethylhydrazine in the Optical
  Analysis of Asymmetric Ketones by Gas Chromatography;
  W. E. Pereira, M. Solomon and B. Halpern,
Australian J. of Chem.&:1103 (1971).

6. The Microsomal Oxygenation of Ethyl Benzene. Isotopic, Stereochemical,
  and Induction Studies;
  R. E. McMahon, H. R. Sullivan, J. Cymerman Craig and W. E. Pereira,
  Arch. Biochem. Biophys. 132:575 (1969).

7. The Steric Analysis of Aliphatic Amines with Two Asymmetric Centers
  by Gas-liquid Chromatography of Diastereoisomeric Amties,
  W. E. Pereira and B. Halpern,
Australian J. Chem. 25:667 (1972).

8, Optical Rotatory Dispersion and Absolute Configuration -XVII,
  d-Alkylphenylacetic Acids;
  J, Cymerman Craig, W. E. Pereira, B. Halpern and J. W. Westley,
Tetrahedron 27:1173 (1971).

9. The Optical Rotary Dispersion and Circ dar Dichroism of d-Anino and
  b-Hydroxy Acids;

J. Cymerman Craig and W. E. Pereira
Tetrahedron g:3457 (1970).

10.  The Determination of Cyclohexylamine in Aqueous Solutions of Sodium
  Cyclamate by Eiectron-capture Gas Chromatography;
  M. D. Solomon, W. E, Pereira and A. M. Duffield,
  Anal. Let. k:301 (1971).


?ublics:ions continued-

11.

12.

13.

14,

15.

16.

17.

18.

19.

20.

Chlorination Studies. I.  The Reaction of Aqueous Hypochlorous Acid
with Cytosine; *cc,,
W. Patton, V. Brwn, A. M. Duffield, B. Halpern, Y. Hoyano, W. Pereira
and J. Lederberg,
Biochem. Biophys. Res. Commun. 48:880 (1972).

The Use of R-(+)-1-Phenylethylisocyanate in the Optical Analysis of
Asymmetric Secondary Alcohols by Gas Chromatography;
W. Pereira, V. A. Bacon, W. Patton, B. Halpern, and G. E, Pollock,
Anal, Let. 3:23 (1970).

A Rapid and Quantitative Gas Chromatographic Analysis for Phenylalanine
in Serum;
B. Halpern, W. E. Pereira, M. D. Solomon and E, Steed,
Anal. Biochem. 39:1.56 (1971),

EkCtrOn-impact Promoted Fragmentation of Alkyl-N-(1-Phenylethyl)-
Carbamates cf Primary, Secondary and Tertiary Alcohols;
W, E, Pereira, B. Halpern, M. D. Solomon and A. M. Duffield,
Org. Mass Spectrometry 5:157 (197?).

Peptide Sequencing by Low Resolution Mass Spectrometry;
V. Bacon, E. Jellum, W. Patton, W. Pereira and B. Halpern,
Biochem. Biophys. Res. Commun. 3'J:878 (1969).

A Gas Liquid Chromatographic Method for the Determination of Phenylalanine
in Serum;
E. Jellum, V. A. Close, W. Patton, W. Pereira and B. Halpern,
Anal, Biochem. 2:227 (19691,

Quantitative Determination of Biologically Important Thiols and
Disulfides by Gas Liquid Chrosatography;
E. Jellum, W. Patton, '4. A, Bacon, W, E. Pereira and B. Halpern,
Anal. Biochem. 2;339 (1969).

A Study of the Electron Impact-promoted Fragmentation of Promazine
Sulfoxide and Prorzazine Using Specifically Deuterated Analogues;
M. D. Solomon, R. Summons, W. ?ereira and A. M. Duffield,
Australian J. Chem. (1973, in press).

The Determination of Phenylalanine in Serum by Mass Fragmentography;
W. Yereira, V. A. Bacon, Y. Hoyano, R. Summons and A. M. Duffield,
Clin. Biochem. (In press).

Chlorination Studies II.  The Reaction of Aqueous Hypochlorous Acid
with A-Amino Acids and Dipeptides;
W. E. Pcreira, Y. Hoyano, R. Summons, V. A. Bacon and A, M. Duffield,
Biochem.et Biophys. Acta (In press),


                ---..-_ _._ _.
m                        BlOGFirli~;{IcAL SKETCH

PLACE OF EJIRTH Khty, State. Country1

PRESEhrT NATIONALITY l/f non-U.S citizen,
indicate kind of vire and axpiration detoJ

Oohkosh, Wisconsin, USA

INSTITUTION AN0 LOCATION

Purdue University, Lafayette, Ind.
California Institute of Technology,
Pnsndcna, CA

B.S
M.S
Ph.D

7;
T

`ncludo ~ostdoctoraI/

  YEAR            SClt'dTIF IC
CONFERRED            FIELD

1962
1965
Thesis to b
course work
completed.

Physics            . '
Physics
completed.  All
znd examinations

Purdue University, Graduated with Highest Honors, Sigma
xi.

t.!AdOR t:i-SEkRCri IhTEAEST
Space scienseP, computer science and
image processing

HOLE IN PROPOSED Pfl0JEC-r

Technical Support

RESEARCH ANDX)R PAOFESS:ONAL EX?EFlli:;CE lS~?mry n~rh~riGsntpozition,~afldrxprn'ancerelsvant roared ofpro,xCf ixta.`/
OfmOlt r&prcssntrOrrpublica;~ons,  Do not rxceod 3 ~3~~)s for mch individ&.)
1971-Present Stanford University ?!edical School, Department of Genetics,
         Stanford, CA.

      Research Associate - P'ass Spectronetry, Instruaentation research.
1962-1971    Jet Propulsion Laboratory, California Institute of Technology,
        Pasadena, CA.
        Relevant Experience:
         1969-1971:  Supervisor of Image Processing Development and
               Applications Group.
         1968-1969:  ,Xariner Xars 1969 Cognizant Engineer for Image
                Processing
        1962-1968: Engineer - design and implement image processing
               computer software.

1. Rindfleisch, T. and Willingham, D., "A Figure of Merit Measuring Picture
  Resolution," JPL Technical Report 32-666, September 1, 1965.

2,  Rfndflcisch, T. and Willinghan, D'., "A Figure of Merit Measuring Picture
  Resolution," Advances in Electronics and Electron Physics, Volume 22A,
  Photo-Electronic Iagc Devicts, Acodcnic Press, 1966.


Thomas C. Mndileisch
PUBLICATIONS (cont'd)

3.

4.

5.

6.

7.

8,

9,

Rindfleiech, T., "A Photometric Yethod for Deriving Lunar Topographic
Information," JPL Technical Report 32-786, September 15, 1945.

Rindfleisch, T., "Photometric Method for Lunar Topography, " Photo-
grammetric Engineering, &arch 1966.

                                                                         . I
Rindfleisch, T., "Generalizations and Limitations of Photoclinometry,"
JPL Space Science Summary Volume III, 1967.

Rindfleisch, T., "The Digital Removal of h'oise from Imagery," JPL Space
Science Summary 37-62 Volume III, 1970.

Rindfleisch, T., "Digital Image Processing for the Rectification of
Television Carnero Distortions," Astronomical Use of Television-Type
Ircage Sensors, USA Special Publicstion SP-256, 1971.

Rindfleioch, T., Dunne, J., Frieden, H., Stromberg, W., and Ruiz, R,,
"Digital Processing of the >!zriner 6 and 7 Pictures," Jourr.al of
Geophysical Research, VoluL;e 76, Xcmber 2, January 1971.

Rindf leisch, T., "Digital Image Processing," To be published, IEEE
Special Issue, July 1972.


SCCrlCN II -PRIVILEGED COMMUNICATION
                       BIOGRAPHICAL SKETCH
      (Give the following information For all profcssiondf pcrsonncl fisted on page 3, beginning with the Principal Investigator.
               Use continuation paga and iollow the same general format for each person.]
NAME                                  TITLE                        BIRTHDATE (MO.. Day, Yr.)
  Dennis H. Smith                        Research Associate     11/12/42

PLACE OF BIRTH (City, State, Country)          PRESENT NATIONALITY (ff non4.S citizen,    SEX
                              indicate kind of visa and expiration date)
  New York                          USA                b Male   0 Female
                EDUCATION (Begin with baccalaureafe training and include posrdocrorall

          INSTITUTION AND LOCATION
?yassachusetts Inst. of Technology
Cambridge, Mass.
University of California, Berkeley
Berkeley, California
HONORS
Alfred P. Sloan Foundation Scholarship
,"U'ASA Predoctoral Traineeship
Phi Lambda Upsilon, Sigma Xi

DEGREE

S.B.

Ph.D.

  YEAR            SCiENTlFlC
CONFERRED            FIELD

1964      Chemistry

1967      Chemistry

MAJOR RESEARCH INTEREST                       ROLE IN PROPOSED PROJECT
xass Spectrometry and A.I. in Chemistry           Research Associate

RESEARCH SUPPORT (See instructionsl
X/A

I

GESEAACH AND/OR PROFESSIONAL EXPERIENCE (Starting withpresentposition, list traininqandexperiencerelevant toarea ofproject List all
or most representative publications,  00 not exceed 3 pages for each individual.)
1971-Present  Research Associate, Stanford University, Stanford,Ca.
1970-1971   Visiting Scientist, University of Bristol, Bristol, England
1967-1970    Assistant Research Chemist, University of Calif.at Berkeley, Berkeley, Ca.
1965-1967    NASA Pre-Doctoral Traineeship, University of Calif.at Berkeley,Eerkeley, Ca.

Publications:  See attached list.

RI-IS-358
Rev. 3-70


Continuation oaoe

Pub

1.

2.

3.

4.

5.

6.

7.

a.

9.

0.

1.

2.

3.

lications:

H. G. Langer, R. S. Gohlke, and D. H. Smith, "Mass Spectrometric Differential
Thermal Analysis," Anal. Chem., 37, 433 (1965).
                     --
S. M. Kupchan, J. M. Cassady, J. E. Kelsey, H. K. Schnoes, D. H. Smith, and
A. L. Burlingame, "Structural Elucidation and High Resolution Mass Spectrometry
of Gaillardin, a New Cytotoxic Sesquiterpene Lactone," J. Amer. Chem. Sot.
                                                             ----
88, 5292 (1966).

D. H. Smith, Ph.D. Thesis, "High Resolution Mass Spectrometry: Techniques and
Applications to Molecular Structure Problems," Dept. of Chemistry, University
of California, Berkeley, California (1967).

H. K. Schnoes, D. H. Smith, A. L. Burlingame, P. W. Jeffs, and W. DElpke,
"Mass Spectra of Amaryllidaceae Alkaloids:  The Lycorenine Series," Tetrahedron,
24, 2825 (1968).

A. L. Burlingame, D. H. Smith, and R. W. Olsen, "High Resolution Mass
Spectrometry in Molecular Structure Studies, XIV. Real-time Data Acquisition,
Processing and Display of High Resolution Mass Spectral Data," Anal. Chem,,
                                                                      --
40, 13 (1968).

A. L. Burlingame and D. H. Smith, "High Resolution Mass Spectrometry in
Molecular Structure Studies II. Automated Heteroatomic Plotting as an Aid
to the Presentation and Interpretaiton of High Resolution Mass Spectra Data,"
Tetrahedron, 24, 5749 (1968).

W. J. Richter, B. R. Simoneit, D. H. Smith, and A. L. Burlingame, "Detection and
Identification of Oxocarboxylic and Dicarboxylic Acids in Complex Mixtures by
Reductive Silylation and Computer-Aided Analysis of High Resolution Mass Spectra
Data," Anal. Chem.,
       --  41, 1392 (1969).
The Lunar Sample Preliminary Examination Team, "Preliminary Examination of
Lunar Samples from Apollo 11," Science, 165, 1211 (1969).

S. M. Kupchan, W. K. Anderson, P. Bollinger, R. W. Doskotch, R. M. Smith, J. A.
Saenz Renauld, H. K. Schnoes, A. L. Burlingame, and D. H. Smith, "Tumor
Inhibitors, XxX1X.  Active Principles of Acnistus arborescens.  Isolation and
Structural and Spectral Studies of Withaferin A and Withacnistin," 2. Org.
Chem., 34, 3858 (1969).
A. L. Burlingame, D. H. Smith, T. 0. Merren, and R. W. Olsen, "Real-time High
Resolution Mass Spectrometry," in Computers in Analytical Chemistry (Vol. 4 in
Progress in Analytical Chemistry series), C. H. Orr and J. Norris, Eds., Plenum
Press, New York, 1970, pp. 17-38.
The Lunar Sample Preliminary Examination Team, "Preliminary Examination of Lunar
Samples from Apollo 12," Science, 167, 1325 (1970).

D. H. Smith, R. W. Olsen, F. C. Walls, and A. L. Burlingame, "Real-Time Mass
Spectrometry: LOGOS--A Generalized Mass Spectrometry Computer System for High
and Low Resolution, GC/MS and Closed-Loop Applications," Anal. Chem., 43,
                                                               --
1796 (1971).

A. L. Burlingame, J. S. Hauser, B. R. Simoneit, D. H. Smith, K. Biemann,
N. Mancuso, R. Murphy, D. A. Flory, and M. A. Reynolds, "Preliminary Organic An-
alysis of the Apollo 12 Cores," Proceedings of the Apollo 12 Lunar Science
Conference, E. Levinson, Ed., M.I.T.?ress, Cambridge, Mass. 1971, p. 1891.

s.398
Y. ?-69

Page


Continuation page

-

1

1

1

1

1

1

2

2

2

4.

5.

6.

7.

8.

9.

0.

1.

2.

D. H. Smith, "A Compound Classifier Based on Computer Analysis of Low Resolution
Mass Spectral Data," Anal. Chem., 44, 536 (1972).
                       --
D. H. Smith and G. Eglinton, "Compound Classification by Computer Treatment of
Low Resolution Mass Spectra-Application to Geochemical and Environmental
Problems,"Nature, 235, 325 (1972).

D. H. Smith, N. A. B. Gray, C. T. Dillinger, B. J. Kimble, and G. Eglinton,
"Complex Mixture Analysis - Geochemical and Environmental Applications of a
Compound Classifier Based on Computer Analysis of Low Resolution Mass Spectra,"
"Advances in Organic Geochemistry 1971," M. R. v.Gaertner and M. Weher, Ed.,
Pergammon Press, Oxford, New York, Toronto, Sydney and Braunschweig, 1972, p.249

D. H. Smith, B. G. Buchanan, R. S. Engelmore, A. M. Duffield, A. Yeo, E. A.
Feigenbaum, J. Lederberg, and C. Djerassi, "Applications of Artificial
Intelligence for Chemical Inference, VIII. An Approach to the Computer Interpre-
tation of the High Resolution Mass Spectra of Complex Molecules.   Structure
Elucidation of Estrogenic Steroids," J. Amer. Chem. Sot., 94, 5962 (1972).
                                         ---__
D. H. Smith, A. M. Duffield, and C. Djerassi, "Mass Spectrometry in Structural
and Stereochemical Problems, CCXXII. Delineation of Competing Fragmentation
Pathways of Complex Molecules from a Study of Metastable Ion Transitions of
Deuterated Derivatives," a. Mass. Spectrom., in press.

B. R. Simoneit, D. H. Smith, G. Eglinton, and A. L. Burlingame,
"Applications of Real-Time Mass Spectrometric Techniques to Environmental
Organic Geochemistry, II. San Francisco Bay Area Waters," Arch. Env. Contam.
                                                                --
and Tox., in press.
--
D. H. Smith, B. G. Buchanan, R. S. Engelmore, H. Adlercreutz, and C. Djerassi,
"Applications of Artificial Intelligence for Chemical Inference, IX.  Analysis
of Mixtures Without Prior Separation as Illustrated for Estrogens," J. Amer.
                                                                           --
Chem. Sot.,
- -  submitted for publication.
D. H. Smith, B. G. Buchanan, W. C. White, E. A. Feigenbaum, J. Lederberg, and
C. Djerassi, "Applications of Artificial Intelligence for Chemical Inference X,
INTSIJM.  A Data Interpretation and Summary Program as Applied to the
Collected Mass Spectra of Estrogenic Steroids," Tetrahedron, submitted.

I

I

D. H. Smith, "Mass Spectrometry," Chapter X in Guide to Modern Methods of          t
                                                             --- --- .-

Instrumentac Analysis, T. H. Gouw, Ed., Wiley-Interscience, New Ycrk, l?iZ.

I


SECTION II -PRIVILEGED COMMUNICATION
-                       BIOGRAPHICAL SI<ETCH
      (Give the following information for all professional personnel listed on page 3, beginning with the Principal investigator.
                 Use continuation pages and follow the same general format for each person.)
NAME                                   TITLE                       BIRTHDATE (MO., Day, Yr.)

Sridharan, Natesa S.               Research Associate           10-2-46

PLACE OF BIRTH ICity, State, Country)

PRESENT NATIONALITY (Ifnon-U.S citizen,
indicate kind of visa and expiration date)

SEX

Madras, India

I India; pe'

              1       nding permanent reside
E DU CA Tl ON (Begin with bxcalaurea te training and include postdoctoral)

Male   0 Female

INSTITUTION AND LOCATION               DEGREE         YEAR             SCIENTIFIC
                                               CONFERRED            FIELO

Indian Institute of Technology, Madras,    Bachelor of
India                        Technology    1967     Electrical Engineer-FTC
State University of New York, Stony Brook M.S.       1969     Computer Science
                                    Ph.D.        1971     Computer Science

HONORS
University Fellow
Graduate Assistant

1968-1971   SUNY Stony Brook
1967-1968   SUNY Stony Brook

eering 1967 ITT Madras

Computer Applications in Chemistry
     and Medicine
RESEARCH SUPPORT (See instructions)

Research Associate

RESEARCH AND/OR PROFESSIONAL EXPERIENCE (Starting withpresentposition, list traininqandexperiencerelevant toareaofprojecc Lis: ail
or most representative publications.  Do not exceed 3 pages for each individual.)

1971-present Research Associate, Heuristic Programming Project, Stanford Universi$;;
1970-1971    Consultant, IAC Computer Company, Long Island, N.Y.

"Heuristic Theory Formation:  Data Interpretation and Rule Formation". Machine
Intelligence, Volume VII, 1972.  (Co-Author).

"An Application of Artificial Intelligence to Organic Chemical Synthesis" Doctoral
Dissertation, SUNY StonyBrook, August, 1971.

HI-IS-39F
Rev. 3-JC