Podcast
Questions and Answers
What is the meaning of the word "compute"?
What is the meaning of the word "compute"?
To calculate.
Give an example of a field where computers are used in chemistry.
Give an example of a field where computers are used in chemistry.
Computational chemistry.
Name a software package used for drawing molecular structures.
Name a software package used for drawing molecular structures.
ISIS/Draw by MDL Information Systems.
What is the type of computerized control system used in chemical industries?
What is the type of computerized control system used in chemical industries?
Signup and view all the answers
What analytical technique separates a mixture of chemical substances?
What analytical technique separates a mixture of chemical substances?
Signup and view all the answers
How has the computer impacted medical science and biology?
How has the computer impacted medical science and biology?
Signup and view all the answers
What is Bioinformatics?
What is Bioinformatics?
Signup and view all the answers
Mention two types of molecular data collected by biologists.
Mention two types of molecular data collected by biologists.
Signup and view all the answers
What is the primary function of computers?
What is the primary function of computers?
Signup and view all the answers
What is the main reason computers are vital in modern society?
What is the main reason computers are vital in modern society?
Signup and view all the answers
What is the primary role of bioinformaticians in studying biological questions?
What is the primary role of bioinformaticians in studying biological questions?
Signup and view all the answers
What types of professionals are typically involved in developing tools and algorithms for biological data analysis?
What types of professionals are typically involved in developing tools and algorithms for biological data analysis?
Signup and view all the answers
Name three specific applications of computers in the field of biology.
Name three specific applications of computers in the field of biology.
Signup and view all the answers
Explain how computer-aided chemical engineering has evolved over time.
Explain how computer-aided chemical engineering has evolved over time.
Signup and view all the answers
What are some specific industries where computer applications are crucial in chemical engineering?
What are some specific industries where computer applications are crucial in chemical engineering?
Signup and view all the answers
Describe the function of a distributed control system (DCS) in chemical processes.
Describe the function of a distributed control system (DCS) in chemical processes.
Signup and view all the answers
What are some key benefits of utilizing a DCS in chemical manufacturing?
What are some key benefits of utilizing a DCS in chemical manufacturing?
Signup and view all the answers
What specific role do computers play in minimizing environmental impacts in chemical industries?
What specific role do computers play in minimizing environmental impacts in chemical industries?
Signup and view all the answers
List three examples of chemical industries where fertilizer production plays a significant role.
List three examples of chemical industries where fertilizer production plays a significant role.
Signup and view all the answers
What is the name of the lecturer who presented this information about the importance of computers in chemical industries?
What is the name of the lecturer who presented this information about the importance of computers in chemical industries?
Signup and view all the answers
What is chromatography used for?
What is chromatography used for?
Signup and view all the answers
How does computer-aided chromatography enhance drug analysis?
How does computer-aided chromatography enhance drug analysis?
Signup and view all the answers
In which industries is chromatography primarily utilized?
In which industries is chromatography primarily utilized?
Signup and view all the answers
What role does chromatography play in forensic labs?
What role does chromatography play in forensic labs?
Signup and view all the answers
What is computational chemistry?
What is computational chemistry?
Signup and view all the answers
Name one application of chromatography in the food and beverage industry.
Name one application of chromatography in the food and beverage industry.
Signup and view all the answers
What are the three categories of methods in computational chemistry?
What are the three categories of methods in computational chemistry?
Signup and view all the answers
How does chromatography assist in diagnostic labs?
How does chromatography assist in diagnostic labs?
Signup and view all the answers
Which chemical property does computational chemistry help to calculate?
Which chemical property does computational chemistry help to calculate?
Signup and view all the answers
What is the primary goal of chromatography in the pharmaceutical industry?
What is the primary goal of chromatography in the pharmaceutical industry?
Signup and view all the answers
What can computational molecular modeling predict about materials?
What can computational molecular modeling predict about materials?
Signup and view all the answers
How does computational chemistry assist medicinal chemists?
How does computational chemistry assist medicinal chemists?
Signup and view all the answers
What techniques are used alongside computational studies to determine the structure of ligands?
What techniques are used alongside computational studies to determine the structure of ligands?
Signup and view all the answers
In what way does computational chemistry help in drug design?
In what way does computational chemistry help in drug design?
Signup and view all the answers
What role does computational modeling play in reaction mechanisms?
What role does computational modeling play in reaction mechanisms?
Signup and view all the answers
How can computational studies contribute to laboratory synthesis?
How can computational studies contribute to laboratory synthesis?
Signup and view all the answers
What kind of properties can computational chemistry predict?
What kind of properties can computational chemistry predict?
Signup and view all the answers
What can computational studies reveal about unknown molecules?
What can computational studies reveal about unknown molecules?
Signup and view all the answers
Why is computational chemistry challenging for experimental chemists?
Why is computational chemistry challenging for experimental chemists?
Signup and view all the answers
What is one primary advantage of using computational chemistry in materials science?
What is one primary advantage of using computational chemistry in materials science?
Signup and view all the answers
Signup and view all the answers
Study Notes
Lecture 1.1 Introduction to Biology and Chemistry for Computation
- Course name: CSE115
- Presenter: Partha Dip Sarkar, Lecturer, CSE, DIU
- Email: [email protected]
Lecture Outline
- Introduction
- Computer applications in chemistry
- Computer applications in biology
- Future scopes
Introduction
- Computers are prevalent in modern life
- The word "computer" originates from the concept of calculation
- Computers have many applications in our daily lives.
- The evolution of computers continues, their ability to quickly sort and analyze massive data sets makes them essential tools.
Fields of Computer
- Computer applications are used in many fields including
- Science (e.g., chemical industry)
- Medicine (e.g., bioinformatics)
- Education
- Banking
- Crime investigation
- Entertainment
- And much more
Computers in Chemistry
- Computational chemistry is a branch of chemistry
- Computers are used to solve chemical problems, including simulations.
- Programs based on theoretical chemistry are used to calculate molecular and solid-state structure and properties.
Visual Models & Packages
- Self-sufficient computational chemistry software is widely available.
- Some packages include a variety of methods, while others focus on a particular method.
- Examples of packages include ISIS/Draw and ArgusLab
- These tools facilitate the creation of molecular structures.
Applications of Computer for Chemistry in Industry
- Distributed control systems (DCS) are computerized control systems for processes and plants, often with many control loops.
- Chromatography is an analytical method used to isolate components of mixtures.
Computers in Biology
- Computers are extensively used in medical science and biological fields.
- Utilizing computational analysis in fields like medical science and biology have proved its worth.
The field of science that unifies Biology, Computer Science, and Information Technology
- Biologists collect molecular data such as DNA and protein sequencing, expression data, etc.
- Computer scientists develop tools, software, and algorithms to store and analyze data.
- Bioinformaticians use the data to solve biological problems.
Computers in Biology
- DNA sequencing
- Sequence alignment
- Gene duplication
- DNA database searching
- Gene therapy
- Drug development
Importance of Computer in Chemical Industries
- Computer-aided chemical engineering has been evolving since the 1950s.
- Computers are now vital at all stages of chemical engineering, from design to optimization and decommissioning.
- Computer-aided tools play a key role in assessing and minimizing environmental impacts.
Applications of Computer in Chemical Industries
- Chemical plants (e.g., petrochemical plants, pulp and paper mills)
- Boiler control and power plant systems
- Nuclear power plants
- Environmental control systems
- Water management systems
- Water treatment plants
- Sewage treatment plants
- Food processing
- Agrochemical production
- Metal processing
- Automobile manufacturing
- Metallurgical processes
- Pharmaceutical manufacturing
- Sugar refining
- Agriculture
DCS (Distributed Control System)
- DCSs are computer-based software packages
- It enables communication between control hardware and provides a centralized interface
- They autonomously coordinate subsystems like sensors and controllers
- DCS are pivotal in handling large and complex continuous manufacturing systems.
Chromatography
- Chromatography is a process for isolating the components in chemical mixtures.
- Computer-aided systems are now frequently employed for the separation and analysis of samples.
- Various types of chromatography exist, including those used in the detection of compounds and the analysis of mixtures in diverse applications.
Uses of Chromatography
- Pharmaceutical industry (drug purity, impurity identification)
- Food and beverage industry (detection of contaminants, pesticides, heavy metals)
- Forensic labs (analyzing biological samples, poisoning)
- Diagnostic labs (detecting drugs/steroids)
Lecture 1.3 & 2.1 Role of Chemistry in Computer Science & Engineering
- Presenter: Partha Dip Sarkar, Lecturer, CSE, DIU
- Email: [email protected]
Contents
- Uses and effects of chemistry
- Benefits of Chemistry
- Applications of Chemistry
Uses and effects of chemistry
- Computational chemistry uses theoretical chemistry incorporated into software
- It calculates molecular properties (e.g., structure, relative energy, charge distribution, etc).
- Methods vary in accuracy, ranging from highly accurate (ab initio) to approximate (molecular mechanics).
Benefits of Computational Chemistry
- Enables precise measurement of molecular properties in medicinal/biological research.
- Facilitates analysis of ligand/target structures using X-ray crystallography or NMR.
- Enables docking in receptor active sites to assess the interaction's favourability.
Benefits of Computational Chemistry (cont.)
- Aids in chemical synthesis by providing a starting point for labs.
- Helps understand experimental data (e.g., spectral peaks), predict unknown molecules, and explore reaction mechanisms.
- It can also lead to the discovery of new chemical compounds.
- Enables accurate prediction of molecular structures using force fields or quantum calculations.
Studying That Suits You
Use AI to generate personalized quizzes and flashcards to suit your learning preferences.
Related Documents
Description
This quiz explores the essential roles of computers in the fields of chemistry and biology. It covers various applications, software tools, and the impact of computer technology on research and development. Test your knowledge about bioinformatics, molecular structures, and the evolution of computer-aided engineering.