Future Lab "Smart not Dark"

(1)

16 F

eb

2006

16 F

eb

2006

Je

re

my G

. F

re

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Je

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my G

. F

re

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ni

ve

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ity

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f S

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pto

n

U

ni

ve

rs

ity

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ou

th

am

pto

n

S

m

ar

t Lab:

Labor

at

or

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nf

or

m

at

ic

s

S

m

ar

t Lab:

Labor

at

or

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nf

or

m

at

ic

s

E

xc

hange

E

xc

hange

Future Lab

-“

“

Smart Not

Dark

Smart Not

Dark

”

Jer

emy G.

Fr

ey

Jer

emy G.

Fr

ey

School of

Che

m

is

tr

y,

U

nive

rs

it

y of

Sou

th

amp

to

n,

U

K

School of

Che

m

is

tr

y,

U

nive

rs

it

y of

Sou

th

amp

to

n,

U

K

16 Fe

b 20

06

16 Fe

b 20

06 Sm

ar

t La

b

Sm

ar

t La

b

La

bo

ra

to

ry

I

nf

orm

at

ic

s Ex

ch

an

ge

La

bo

ra

to

ry

I

nf

orm

at

ic

s Ex

ch

an

ge

2006

(2)

16 F

eb

2006

eb

2006

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re

my G

. F

re

y

Je

re

my G

. F

re

y

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ni

ve

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pto

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pto

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The

Comb

e

Chem

Project

!

Collect data wit

h r

egard to h

ow

Collect data wit

h r

egard to h

ow

eventually be

used

eventually be

used

!

Mak

e su

re th

e m

etad

ata is o

f high quality

Mak

e su

re th

e m

etad

ata is o

f high quality

!

Re

co

rd

pr

op

er

ly at

so

ur

ce

in Digital F

Re

co

rd

pr

op

er

ly at

so

ur

ce

in Digital F

!

The Chem

istry La

b

The Chem

istry La

b

!

People & Machi

nes w

ork

ing togeth

People & Machi

nes w

ork

ing togeth

!

End to End

linking

of

data and inf

End to End

linking

of

data and inf

!

Publi

cation

@

Sour

ce

Publi

cation

@

Sour

ce

!

But t

hen.... “Who

n

eeds pro

ven

But t

hen.... “Who

n

eeds pro

ven

Bush

, Blair The

JIC, M

I5, CIA

& Hutton

Bush

, Blair The

JIC, M

I5, CIA

(3)

16 F

eb

2006

16 F

eb

2006

Je

re

my G

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re

y

Je

re

my G

. F

re

y

U

ni

ve

rs

ity

o

f S

ou

th

am

pto

n

U

ni

ve

rs

ity

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f S

ou

th

am

pto

n

S

m

ar

t Lab:

Labor

at

or

y I

nf

or

m

at

ic

s

S

m

ar

t Lab:

Labor

at

or

y I

nf

or

m

at

ic

s

E

xc

hange

E

xc

hange

Chemical Grids

!

Start in the laborator

y

Start in the laborator

y

–

pervasive ph

ys

ical

pervasive ph

ys

ical

grid (Smart Tea)

!

Computational chemistry

ver

y significant

Computational chemistry

ver

y significant

source

–

in

sili

co

sili

co

grid (

Chem

My

Te

a

My

Te

a

)

!

Used b

y chemist

s so must be

sim

ple to

Used b

y chemist

s so must be

sim

ple to

support & mainta

in

support & mainta

in

--

sim

ple, stable,

sim

ple, stable,

secure, & autono

m

ic

secure, & autono

m

(4)

16 F

eb

2006

eb

2006

Je

re

my G

. F

re

y

Je

re

my G

. F

re

y

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ni

ve

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ity

o

f S

ou

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am

pto

n

U

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ve

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ity

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f S

ou

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am

pto

n

What are the people up to?

We can capture t

he environment

We can capture t

he environment

but need to capt

ure the processe

but need to capt

ure the processe

Who is doing w

hat, w

here a

Who is doing w

hat, w

here a

the

y doing it, and w

hat is the

the

y doing it, and w

hat is the

environment like

(5)

16 F

eb

2006

16 F

eb

2006

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re

my G

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re

y

Je

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my G

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re

y

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ity

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pto

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U

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ve

rs

ity

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th

am

pto

n

S

m

ar

t Lab:

Labor

at

or

y I

nf

or

m

at

ic

s

S

m

ar

t Lab:

Labor

at

or

y I

nf

or

m

at

ic

s

E

xc

hange

E

xc

hange

Li

ke cash

mac

hi

ne

electronic notebooks have taken

many forms

–

w

e want

one t

hat

adapts to co

ntext,

simple to

use in t

he lab

whi

lst do

ing actu

al

bench c

hemistry b

ut

linked to

more

resources at t

he d

esk –

the pervas

ive lab

book

(6)

16 F

eb

2006

eb

2006

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re

my G

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re

y

Je

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my G

. F

re

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pto

n

Per

m

anent,

doc

um

ented

and pr

im

ar

y

re

co

rd

o

f

lab

or

ator

y

obs

er

v

(7)

16 F

eb

2006

16 F

eb

2006

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re

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Je

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pto

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S

m

ar

t Lab:

Labor

at

or

y I

nf

or

m

at

ic

s

S

m

ar

t Lab:

Labor

at

or

y I

nf

or

m

at

ic

s

E

xc

hange

E

xc

hange

O

b

serv

atio

ns

are

nev

er

coll

ect

ed on

no

te pad

s,

filter

pa

per

or

oth

e

r

temp

orary

pa

per f

o

r

later tr

an

sfer

into

a

noteb

oo

k

If y

ou are

ca

ugh

t u

sin

g th

e

“scra

p

of

pap

er”

te

ch

n

iq

ue,

your impr

oper

ly

rec

o

rde

d

da

ta

may

be

con

fis

cat

e

d

by

y

our T

(8)

16 F

eb

2006

eb

2006

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pto

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cr

itic

al dat

a

ent

ry

Indus

tr

ia

l s

(9)

16 F

eb

2006

16 F

eb

2006

Je

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my G

. F

re

y

Je

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my G

. F

re

y

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U

ni

ve

rs

ity

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am

pto

n

S

m

ar

t Lab:

Labor

at

or

y I

nf

or

m

at

ic

s

S

m

ar

t Lab:

Labor

at

or

y I

nf

or

m

at

ic

s

E

xc

hange

E

xc

hange

COS

H

COS

H

le

ve

ra

ge off thi

ngs

w

e alr

ead

y

le

ve

ra

ge off thi

ngs

w

e alr

ead

y

ha

ve

to do

ha

ve

(10)

16 F

eb

2006

eb

2006

Je

re

my G

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Je

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U

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f S

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pto

(11)

16 F eb 2006 16 F eb 2006 Je re my G . F re y Je re my G . F re y U ni ve rs ity o f S ou th am pto n U ni ve rs ity o f S ou th am pto n S m ar t Lab: Labor at or y I nf or m at ic s S m ar t Lab: Labor at or y I nf or m at ic s E xc hange E xc hange 1 1 2 2 1 3 Sa m p le o f 4-flou ri nat ed bi phen yl Ad d R e flu x B u tano ne Sa m p le o f K2 C O 3 Po w de r We ig h gr am mes 0.9031 M eas ur e ₄₀ ml Ad d We ig h 2.0719 g tex t Bu tanone dr ied v ia s ilic a c ol umn and m eas ur ed i nto 100ml RB fl as k. Us ed 1ml ex tra s ol vent to was h out contai ner . St ar te d re flux a

t 13.30. (

H ad to change heater s tir re r) O nl y r efl ux for 45mi n, nex t s tep 14:15. Ad d R e fl u x Ad d

D

isso

lv

e 4

-flour

inated

b

ipheny

l in

b

utanone

A

dd K

2C

O

3 pow

der

H

eat at r

(12)

(13)

16 F

eb

2006

16 F

eb

2006

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re

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pto

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S

m

ar

t Lab:

Labor

at

or

y I

nf

or

m

at

ic

s

S

m

ar

t Lab:

Labor

at

or

y I

nf

or

m

at

ic

s

E

xc

hange

E

xc

(14)

16 F eb 2006 eb 2006 Je re my G . F re y Je re my G . F re y U ni ve rs ity o f S ou th am pto n U ni ve rs ity o f S ou th am pto n

Propert

y in R

D

F

Propert

y in R

(15)

16 F eb 2006 16 F eb 2006 Je re my G . F re y Je re my G . F re y U ni ve rs ity o f S ou th am pto n U ni ve rs ity o f S ou th am pto n S m ar t Lab: Labor at or y I nf or m at ic s S m ar t Lab: Labor at or y I nf or m at ic s E xc hange E xc hange

Schema

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(16)

16 F

eb

2006

eb

2006

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pto

(17)

16 F

eb

2006

16 F

eb

2006

Je

re

my G

. F

re

y

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re

my G

. F

re

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S

m

ar

t Lab:

Labor

at

or

y I

nf

or

m

at

ic

s

S

m

ar

t Lab:

Labor

at

or

y I

nf

or

m

at

ic

s

E

xc

hange

E

xc

(18)

16 F

eb

2006

16 F

eb

2006

Je

re

my G

. F

re

y

Je

re

my G

. F

re

y

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ve

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Adapt SHG

lab

Adapt SHG

lab

!

Captur

e information f

ro

m

pla

ces you

w

ould not

w

ant to

pu

t your

(19)

16 F

eb

2006

16 F

eb

2006

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re

my G

. F

re

y

Je

re

my G

. F

re

y

U

ni

ve

rs

ity

o

f S

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pto

n

U

ni

ve

rs

ity

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f S

ou

th

am

pto

n

S

m

ar

t Lab:

Labor

at

or

y I

nf

or

m

at

ic

s

S

m

ar

t Lab:

Labor

at

or

y I

nf

or

m

at

ic

s

E

xc

hange

E

xc

hange

A

ir

Co

nd

itio

ning f

aile

d

Student tur

ned

off a

(20)

16 F

eb

2006

eb

2006

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re

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re

y

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my G

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re

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pto

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Data Sou

rce

C

lien

t

C

lien

t

PD

A

Me

ssage

Br

oke

r

T

ransl

ato

r

S

e

rv

ic

e

Get the

vie

w

of th

e l

ab

whe

re an

d w

hen

in the w

ay y

ou

w

ant it

-ho

w

to

suppo

(21)

16 F

eb

2006

16 F

eb

2006

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re

my G

. F

re

y

Je

re

my G

. F

re

y

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ni

ve

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ity

o

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pto

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U

ni

ve

rs

ity

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th

am

pto

n

S

m

ar

t Lab:

Labor

at

or

y I

nf

or

m

at

ic

s

S

m

ar

t Lab:

Labor

at

or

y I

nf

or

m

at

ic

s

E

xc

hange

E

xc