XRD6000 Dedicated for Pharmaceutical Field

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XRD-6000Dedicated for Pharmaceutical Field
Surface Analysis Business Unit
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Shimadzu Network System-Using CLASS-Agent Ver.2-

• The Software on Part 11 regulations are requested
  these functions in order to guarantee the data
  reliability.
• Audit trail
• Access control(Security)
• Perfect Data
• Validation
• Electric signature

We can be available to ?CLASS-Agent Ver2?!
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Shimadzu NetworkSystemby using CLASS-Agent
Analytical Equipments PC workstation
Auto-registering system to the database
Machine readable Quantitative analysis
results, Crystallinity, Crystal size , etc. Human
readableText files,PDF Files, Etc.
?Synthetic management of all data delivered from
all laboratory equipment .(Including Shimadzu and
other company.) ? Operating all data common
to all equipment by using CLASS-Agent.
Data review , inspection, and approval S/W Agent
Manager
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Block Diagram of the Network System
Auto-registering data
Data inspection,etc.
Remote access
Download data
e-mail
Ethernet
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Process from Discovery to Production

• Discovery Reserach
• Discovery of seed/lead compounds
• Combinatorial chemistry
• High throughputs screening
• Functional Analysis of genes
• Development
• Manufacturing development for nominated compounds
• Safety evaluation and pharmacokinetics
• Manufacturing process development and quality
  control
• Clinical evaluation and drug application
• Production(Target for the XRD-6100P)
• Mass product at the factory
• Quality control at production steps

Intended XRD Single crystal XRD Protein
crystallography (2-D imaging XRD) Single
crystal XRD Powder XRD Powder XRD
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Functions of XRD-6000P(PCXRD Ver6.0)

• XRD-6000 control data acquisition system
• XRD-6000 standard data processing system
• Basic data processing(peak
  search)
• Qualitative Analysis
• Quantitative Analysis
• 3. Profile Fitting software
• Crystalinity Calculation Software
• Crystallite size Calculation Software

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Main Menu for XRD-6000
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Login the menu of the XRD system

• Unifying the interface of users login in the
  XRD system as same as in the Class agent system.
• Users login and access management can be
  available by using the database belong to the
  CLASS Agent.

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Access Control menu
ID Password are same as CLASS-Agent
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Software Validation Check program is equiped
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Application of Pharmaceutical field
? Polymorph Identification Check the raw
materials Quality Control Check the
Patent
Drugs
? Crystalinity Speed for dissolving
? Crystallite size Speed for
dissolving
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What is polymorph?
Same Chemical formula but different crystal system
Example a phase, ß phase, ? phase
Form?, Form?,
These differences are very important for the
production since some phase are stable or easy to
product. Therefore originally developed company
have a patent to protect their products.
Competitors (Generic drug pharmaceutical company)
should check their product whether they are out
of these patent using XRD. Of course original
drug supplier always try to check competitors
products.
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Most popular way for polymorph identification
Comparison of raw data profiles Compare raw
data profiles with standard sample data using
Multi Plot function whether abnormal appear or
disappear.

abnormal peak






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Polymorph Identification(Search/Match Method)
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Audit trail for Quality Analysis
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Application of Quantitative Analysis
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Some Meanings of Diffraction Pattern
Crystallization Crystal Size Lattice Strain
Half Height width
Amorphous
Degree of Crystallization
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Crystalinity calculation in XRD
In a X-ray diffraction method, total intensity
from certain volume of the sample are always
fixed by their combination of the atoms even they
are amorphous phase or crystalline phase.
Sharpe profile are detected from the crystal
phase are and broad peak profile from the
amorphous phase area. So crystalinity degree is
determined by the calculation of the ratio of
these area.
Ic It
Crystalinity()XcK
Ic Area of crystalline phase It Total area of
the profile
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Crystalinity Calculation
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What is Crystallite size?
Crystallite size
Particle size
ßs
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Application of the Crystallite size
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Various kinds of Attachments can be installed
Various kinds of attachments are available for
pharmaceutical measurement. Such as Rotating
device, Cooling and Heating device etc.
Polycapillary optics allows to measure tablet
form of the medicine.
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Users and Vendors roles in the X model
PQ
Users requests
Users side
Function specification
OQ
Design Qualification
Qualifications
Vendors audit
IQ
Order, System construction, Install
Receiving Audit
Supply of the validation work
Maintenance support
Suggestion of the system
Vendors side
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Advantages of XRD Shiamdzu

• Shimadzu has much experience and knowledge about
  FDA CFR Part 11.
• IQ/OQ documents are highly evaluated .
• Its easy to make network system with other
  equipments such as GC or LC.
• XRD-6000 is very stable and reliable.
• Can be measured tablet with polycapillary system.