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Department of Chemistry

Department of Chemistry course timetable

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Fri 21 Feb 2020 – Tue 5 May 2020

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February 2020

Tue 25
Chemistry: Quantum Computing new (3 of 4) Finished 14:00 - 15:00 Todd-Hamied

Lecture 1 - Fundamentals of Quantum Computing A short summary of all the basic quantum computing knowledge needed to do quantum chemistry on a quantum computer.

Lecture 2 - Encoding chemistry systems in quantum computers

  • Second quantization
  • Jordan-Wigner and Bravyi-Kitaev transforms
  • Molecular orbital encoding
  • State Preparation

Lecture 3 - Quantum algorithms for energy calculations

  • NISQ: Variational quantum algorithms
  • Future: Phase Estimation algorithms

Lecture 4 - Advanced quantum chemistry quantum computing algorithms

  • Excited Algorithms: QSE, Constrained Minimisation, etc
  • Special Ansatz using symmetry
  • Imaginary time evolution
  • TBA
Fri 28
Chemistry: Green Chemistry new (1 of 2) Finished 09:00 - 13:00 Todd-Hamied

This course will provide an overview of Sustainable Chemistry in the Pharmaceutical Industry: Motivation and Legislation It will cover the following in more detail;

  • Solvents - tools for analysing the merits and drawbacks of different solvents and tools for selecting the optimum solvent for chromatography, common reactions, work-ups and other purposes
  • Reagents - tools for analysing the merits and drawbacks of different reagents and substrate scope for some greener reagents for common transformations
  • Metrics: Yield, Atom Economy, Reaction Mass Efficiency, E-factor, Process Mass Intensity, Life Cycle Analysis and Carbon Footprinting
Chemistry: Green Chemistry new (2 of 2) Finished 13:00 - 17:00 Todd-Hamied

This course will provide an overview of Sustainable Chemistry in the Pharmaceutical Industry: Motivation and Legislation It will cover the following in more detail;

  • Solvents - tools for analysing the merits and drawbacks of different solvents and tools for selecting the optimum solvent for chromatography, common reactions, work-ups and other purposes
  • Reagents - tools for analysing the merits and drawbacks of different reagents and substrate scope for some greener reagents for common transformations
  • Metrics: Yield, Atom Economy, Reaction Mass Efficiency, E-factor, Process Mass Intensity, Life Cycle Analysis and Carbon Footprinting

March 2020

Mon 2
Chemistry: IS5 SciFinder and Reaxys Finished 11:30 - 13:00 U203

A ‘highly recommended’ optional course introducing electronic databases SciFinder and Reaxys presented by Professor Jonathan Goodman comprising of presentation followed by hands-on investigation.

SciFinder https://www.cas.org/products/scifinder provides access to biochemical, chemical, chemical engineering, medical and other related information in journal and patent literature. Bibliographic, substance and reaction information is available. SciFinder includes references from more than 10,000 scientific journals and patent information from 63 patent issuing authorities. Sources include journals, patents, conference proceedings, dissertations, technical reports and books. It is one of the world’s largest collections of organic and inorganic substance information.

It is possible to search by topic, author, company name, chemical structure, substructure, structure similarity and reaction. Personal registration is required for access to SciFinder on- and off-campus, please follow the instructions at: https://www-library.ch.cam.ac.uk/scifinder

Reaxys combines the content of CrossFire Beilstein, Gmelin and the Patent Chemistry Database in one search. Validated reaction and substance data are integrated with synthesis planning. Data from all three sources are merged into one substance record. Unlimited access on-campus via the web: https://www.reaxys.com/. Off-campus access via Raven password. (Personal registration is not required for access).

Please see the prerequisites. Please bring your own laptop for the practical element of the session.

Chemistry: Quantum Computing new (4 of 4) Finished 14:00 - 15:00 Todd-Hamied

Lecture 1 - Fundamentals of Quantum Computing A short summary of all the basic quantum computing knowledge needed to do quantum chemistry on a quantum computer.

Lecture 2 - Encoding chemistry systems in quantum computers

  • Second quantization
  • Jordan-Wigner and Bravyi-Kitaev transforms
  • Molecular orbital encoding
  • State Preparation

Lecture 3 - Quantum algorithms for energy calculations

  • NISQ: Variational quantum algorithms
  • Future: Phase Estimation algorithms

Lecture 4 - Advanced quantum chemistry quantum computing algorithms

  • Excited Algorithms: QSE, Constrained Minimisation, etc
  • Special Ansatz using symmetry
  • Imaginary time evolution
  • TBA
Single Cell RNA Sequencing new (1 of 4) Finished 16:00 - 18:00 Unilever Lecture Theatre

The course will outlay bioinformatic analysis of cell populations from single-cell RNA including visualisation, clustering and functional analysis of genes. This will be using the programming language R and packages such as Seurat. Participants are encouraged to bring their own laptop to follow along.

Lesson 1

  • 4.00 - 4.45pm = Setting up
  • 4.45 - 5.00pm = Break, questions
  • 5.00 - 6.00pm = Introduction to scRNA-Seq

Lesson 2

  • 1.00 - 1.45pm = QC, Normalising, Feature Selection
  • 1.45 - 2.00pm = Break, questions
  • 2.00 - 3.00pm = Scaling, Dimensionality reduction, Determining dimensionality of dataset

Lesson 3

  • 1.00 - 1.45pm = Clustering, UMAP/t-SNE
  • 1.45 - 2.00pm = Break, questions
  • 2.00 - 3.00pm = Cluster biomarkers, Assigning cell type identity, Differential expression, Enrichment

Lesson 4

  • 1.00 - 1.45pm = Work on dataset from Stanford/literature/own dataset
  • 1.45 - 2.00pm = Break, questions
  • 2.00 - 3.00pm = Work on dataset from Stanford/literature/own dataset
Tue 3
Chemistry: DD10 Process Chemistry Workshop new (1 of 2) Finished 10:00 - 13:00 Todd-Hamied

In this session, Dr. Mukund S. Chorghade will discuss the pivotal role played by Process Chemistry / Route Selection in the progress of a drug from conception to commercialization. The medicinal chemistry routes for synthesis are usually low yielding and are fraught with capricious reactions, cryogenic temperatures, tedious chromatography and problems in scale-up to multi-kilo and multi-ton levels. Considerable research efforts have to be expended in developing novel, cost efficacious and scalable processes and seamlessly transferring these technologies to manufacturing operations. These principles will be exemplified by process development case studies on a variety of pharmaceutical moieties such as anti-epileptic and an anti-asthma drugs. We were able to also discover a large number of New Chemical Entities by our new “Process Chemistry Driven Medicinal Chemistry”

We will exemplify advances in proprietary in vitro green chemistry-based technology, mimicking in vivo metabolism of several chemical entities used in pharmaceuticals, cosmetics, and agrochemicals. Our catalysts enable prediction of metabolism patterns with soft-spot analysis Metabolites are implicated in adverse drug reactions and are the subject of intense scrutiny in drug R&D. Present-day processes involving animal studies are expensive, labor-intensive and chemically inconclusive. Our catalysts (azamacrocycles) are sterically protected and electronically activated, providing speed, stability and scalability. We predict structures of metabolites, prepare them on a large scale by oxidation, and elucidate chemical structures. Comprehensive safety evaluation enables researchers to conduct more complete in vitro metabolism studies, confirm structure and generate quantitative measures of toxicity.

Chemistry: Contemporary Chemistry to Tackle 21st Century Challenges new (1 of 8) Finished 14:30 - 15:00 Todd-Hamied

Chemistry plays a very crucial role in tackling 21st century global challenges. From climate change mitigation to discovering therapeutic strategies for human health and driving sustainable energy production and usage - we are faced with many challenges for which chemical sciences has been providing and will continue to provide many plausible solutions.

Much of the research involved in developing these initiatives requires a huge drive towards interdisciplinary research networks. As such, this course has been developed with some of our colleagues from across the Chemistry Department who are working on exciting and emerging areas with this multidisciplinary focus.

This course will introduce how chemistry can be used as a tool to solve these challenges. First session will include the introduction. Each lecture following this will focus on a different branch, area or concept of chemistry covering the fundamental chemistry and background of how it works, any advances to date and the applications towards tackling these global challenges.

The first session is compulsory, plus choose optional sessions you wish to attend when you make your booking.

  • Session 1: Introduction
  • Session 2: Organic Electronics
  • Session 3: Electrochemistry (Batteries)
Chemistry: Contemporary Chemistry to Tackle 21st Century Challenges new (2 of 8) Finished 15:00 - 17:00 Todd-Hamied

Chemistry plays a very crucial role in tackling 21st century global challenges. From climate change mitigation to discovering therapeutic strategies for human health and driving sustainable energy production and usage - we are faced with many challenges for which chemical sciences has been providing and will continue to provide many plausible solutions.

Much of the research involved in developing these initiatives requires a huge drive towards interdisciplinary research networks. As such, this course has been developed with some of our colleagues from across the Chemistry Department who are working on exciting and emerging areas with this multidisciplinary focus.

This course will introduce how chemistry can be used as a tool to solve these challenges. First session will include the introduction. Each lecture following this will focus on a different branch, area or concept of chemistry covering the fundamental chemistry and background of how it works, any advances to date and the applications towards tackling these global challenges.

The first session is compulsory, plus choose optional sessions you wish to attend when you make your booking.

  • Session 1: Introduction
  • Session 2: Organic Electronics
  • Session 3: Electrochemistry (Batteries)
Wed 4
Chemistry: DD10 Process Chemistry Workshop new (2 of 2) Finished 10:00 - 13:00 Todd-Hamied

In this session, Dr. Mukund S. Chorghade will discuss the pivotal role played by Process Chemistry / Route Selection in the progress of a drug from conception to commercialization. The medicinal chemistry routes for synthesis are usually low yielding and are fraught with capricious reactions, cryogenic temperatures, tedious chromatography and problems in scale-up to multi-kilo and multi-ton levels. Considerable research efforts have to be expended in developing novel, cost efficacious and scalable processes and seamlessly transferring these technologies to manufacturing operations. These principles will be exemplified by process development case studies on a variety of pharmaceutical moieties such as anti-epileptic and an anti-asthma drugs. We were able to also discover a large number of New Chemical Entities by our new “Process Chemistry Driven Medicinal Chemistry”

We will exemplify advances in proprietary in vitro green chemistry-based technology, mimicking in vivo metabolism of several chemical entities used in pharmaceuticals, cosmetics, and agrochemicals. Our catalysts enable prediction of metabolism patterns with soft-spot analysis Metabolites are implicated in adverse drug reactions and are the subject of intense scrutiny in drug R&D. Present-day processes involving animal studies are expensive, labor-intensive and chemically inconclusive. Our catalysts (azamacrocycles) are sterically protected and electronically activated, providing speed, stability and scalability. We predict structures of metabolites, prepare them on a large scale by oxidation, and elucidate chemical structures. Comprehensive safety evaluation enables researchers to conduct more complete in vitro metabolism studies, confirm structure and generate quantitative measures of toxicity.

Fri 6
Chemistry: IS2 Citation Database Search Skills Finished 10:00 - 12:00 Todd-Hamied

A ‘recommended’ optional course for Chemistry graduates that introduces all the relevant online databases available to you in the university: citation databases such as Web of Science, Scopus, and PubMed, which index all the scientific literature that is published, as well as chemistry and related subject-specific databases. You will be guided on how to search citation databases effectively and the session includes a hands-on element where you can practice - please bring your own laptop.

The session will be most suitable for those who are new to searching citation databases or would like a refresher.

Please note that this session will not cover searching the databases Reaxys and SciFinder. These are covered by IS5.

  • Please bring your own laptop so you can participate in the practical element of the session
Mon 9
Single Cell RNA Sequencing new (2 of 4) Finished 13:00 - 15:00 Todd-Hamied

The course will outlay bioinformatic analysis of cell populations from single-cell RNA including visualisation, clustering and functional analysis of genes. This will be using the programming language R and packages such as Seurat. Participants are encouraged to bring their own laptop to follow along.

Lesson 1

  • 4.00 - 4.45pm = Setting up
  • 4.45 - 5.00pm = Break, questions
  • 5.00 - 6.00pm = Introduction to scRNA-Seq

Lesson 2

  • 1.00 - 1.45pm = QC, Normalising, Feature Selection
  • 1.45 - 2.00pm = Break, questions
  • 2.00 - 3.00pm = Scaling, Dimensionality reduction, Determining dimensionality of dataset

Lesson 3

  • 1.00 - 1.45pm = Clustering, UMAP/t-SNE
  • 1.45 - 2.00pm = Break, questions
  • 2.00 - 3.00pm = Cluster biomarkers, Assigning cell type identity, Differential expression, Enrichment

Lesson 4

  • 1.00 - 1.45pm = Work on dataset from Stanford/literature/own dataset
  • 1.45 - 2.00pm = Break, questions
  • 2.00 - 3.00pm = Work on dataset from Stanford/literature/own dataset
Tue 10
Chemistry: Contemporary Chemistry to Tackle 21st Century Challenges new (3 of 8) Finished 15:00 - 17:00 Todd-Hamied

Chemistry plays a very crucial role in tackling 21st century global challenges. From climate change mitigation to discovering therapeutic strategies for human health and driving sustainable energy production and usage - we are faced with many challenges for which chemical sciences has been providing and will continue to provide many plausible solutions.

Much of the research involved in developing these initiatives requires a huge drive towards interdisciplinary research networks. As such, this course has been developed with some of our colleagues from across the Chemistry Department who are working on exciting and emerging areas with this multidisciplinary focus.

This course will introduce how chemistry can be used as a tool to solve these challenges. First session will include the introduction. Each lecture following this will focus on a different branch, area or concept of chemistry covering the fundamental chemistry and background of how it works, any advances to date and the applications towards tackling these global challenges.

The first session is compulsory, plus choose optional sessions you wish to attend when you make your booking.

  • Session 1: Introduction
  • Session 2: Organic Electronics
  • Session 3: Electrochemistry (Batteries)
Wed 11
Chemistry: FS15 Creating Publication Quality Figures: Images & Media Finished 13:00 - 14:00 Unilever Lecture Theatre

The first half of this session will cover an overview of Raytracing versus 3D Modelling, an introduction to the free Raytracing programme Povray, running Povray (command line options). Making and manipulating simple shapes, camera tricks (depth of field, angle of view) and using other software to generate Povray input (e.g. Jmol)

The second half of the session is an introduction to 3D modelling and animation using the open source programme Blender. This will cover the installation and customisation of the Blender interface for use with chemical models, how to import chemical structures from Jmol and the protein data base (PDB), the basics of 3D modelling, and an introduction to Key-frame animation.

No previous experience with either 3D modelling or animation is required.

Mon 16
Chemistry: IS3 Research Information Skills Finished 10:00 - 12:00 Unilever Lecture Theatre

This compulsory course will equip you with the skills required to manage the research information you will need to gather throughout your graduate course, as well as the publications you will produce yourself. It will also help you enhance your online research profile and measure the impact of research.

Single Cell RNA Sequencing new (3 of 4) Finished 13:00 - 15:00 Todd-Hamied

The course will outlay bioinformatic analysis of cell populations from single-cell RNA including visualisation, clustering and functional analysis of genes. This will be using the programming language R and packages such as Seurat. Participants are encouraged to bring their own laptop to follow along.

Lesson 1

  • 4.00 - 4.45pm = Setting up
  • 4.45 - 5.00pm = Break, questions
  • 5.00 - 6.00pm = Introduction to scRNA-Seq

Lesson 2

  • 1.00 - 1.45pm = QC, Normalising, Feature Selection
  • 1.45 - 2.00pm = Break, questions
  • 2.00 - 3.00pm = Scaling, Dimensionality reduction, Determining dimensionality of dataset

Lesson 3

  • 1.00 - 1.45pm = Clustering, UMAP/t-SNE
  • 1.45 - 2.00pm = Break, questions
  • 2.00 - 3.00pm = Cluster biomarkers, Assigning cell type identity, Differential expression, Enrichment

Lesson 4

  • 1.00 - 1.45pm = Work on dataset from Stanford/literature/own dataset
  • 1.45 - 2.00pm = Break, questions
  • 2.00 - 3.00pm = Work on dataset from Stanford/literature/own dataset
Wed 18
Chemistry: FS3 Integrity and Ethics in Research CANCELLED 10:00 - 12:00 Unilever Lecture Theatre

A thorough awareness of issues relating to research ethics and research integrity are essential to producing excellent research. This session will provide an introduction to the ethical responsibilities of researchers at the University, publication ethics and research integrity. It will be interactive, using case studies to better understand key ethical issues and challenges in all areas. There are three sessions running, you need attend only one.

Fri 20
Chemistry: IS4 Research Data Management CANCELLED 10:00 - 12:00 Todd-Hamied

This compulsory session introduces Research Data Management (RDM) to Chemistry PhD students. It is highly interactive and utilises practical activities throughout.

Key topics covered are:

  • Research Data Management (RDM) - what it is and what problems can occur with managing and sharing your data.
  • Data backup and file sharing - possible consequences of not backing up your data, strategies for backing up your data and sharing your data safely.
  • Data organisation - how to organise your files and folders, what is best practice.
  • Data sharing - obstacles to sharing your data, benefits and importance of sharing your data, the funder policy landscape, resources available in the University to help you share your data.
  • Data management planning - creating a roadmap for how not to get lost in your data!
Mon 23

The main aim of giving a presentation to the public or a science venue is to present information in a way that the audience will remember at a later time. There are several ways in which we can improve this type of impact with an audience. This interactive lecture explores some of those mechanisms.

Single Cell RNA Sequencing new (4 of 4) Finished 13:00 - 15:00 Todd-Hamied

The course will outlay bioinformatic analysis of cell populations from single-cell RNA including visualisation, clustering and functional analysis of genes. This will be using the programming language R and packages such as Seurat. Participants are encouraged to bring their own laptop to follow along.

Lesson 1

  • 4.00 - 4.45pm = Setting up
  • 4.45 - 5.00pm = Break, questions
  • 5.00 - 6.00pm = Introduction to scRNA-Seq

Lesson 2

  • 1.00 - 1.45pm = QC, Normalising, Feature Selection
  • 1.45 - 2.00pm = Break, questions
  • 2.00 - 3.00pm = Scaling, Dimensionality reduction, Determining dimensionality of dataset

Lesson 3

  • 1.00 - 1.45pm = Clustering, UMAP/t-SNE
  • 1.45 - 2.00pm = Break, questions
  • 2.00 - 3.00pm = Cluster biomarkers, Assigning cell type identity, Differential expression, Enrichment

Lesson 4

  • 1.00 - 1.45pm = Work on dataset from Stanford/literature/own dataset
  • 1.45 - 2.00pm = Break, questions
  • 2.00 - 3.00pm = Work on dataset from Stanford/literature/own dataset
Tue 24
Chemistry: FS4 Unconscious Bias Finished 13:00 - 14:30 Wolfson Lecture Theatre

Unconscious Bias refers to the biases we hold that are not in our conscious control. Research shows that these biases can adversely affect key decisions in the workplace. The session will enable you to work towards reducing the effects of unconscious bias for yourself and within your organisation. Using examples that you will be able to relate to, we help you to explore the link between implicit bias and the impact on the organisation. The overall aim of the session is to provide participants with an understanding of the nature of Unconscious Bias and how it impacts on individual and group attitudes, behaviours and decision-making processes.

Wed 25

The main aim of giving a presentation to the public or a science venue is to present information in a way that the audience will remember at a later time. There are several ways in which we can improve this type of impact with an audience. This interactive lecture explores some of those mechanisms.

This session will require 4-5 volunteers to provide a 10 min talk which the session will show how to improve. Presenters in the following week's Peer to Peer presentations will be given priority booking for this event.

April 2020

Mon 20

Submission of the PhD thesis can seem to be a daunting experience, from constructing it to submitting and then being examined, with one of those examiners coming from an external institution. In this session, Marie Dixon (Degree Committee Office, School of Physical Sciences), Rachel MacDonald and Deborah Longbottom will talk through all aspects of procedure regarding thesis submission and answer any questions students wish to pose. Students who were recently examined, as well as members of academic staff who carry out PhD vivas will also be there to talk about the reality of the process from all perspectives

Thu 23

Submission of the first year report can seem to be a daunting experience, from constructing it to submitting and then being assessed by academic staff. In this session, Marie Dixon (Degree Committee Office, School of Physical Sciences), Rachel MacDonald and Deborah Longbottom will talk through all aspects of procedure and answer any questions students wish to pose. Students who went through the first year exam in 2016, as well as members of academic staff who carry out first year vivas will also be there to talk about the reality of the process from all perspectives.

May 2020

Tue 5

The current situation is a difficult one, with labs closed, and the need for home-working (where possible). It is particularly challenging for those thinking about their post-Ph.D careers, where communication with potential employers is cut-off and job offers are being put back or cancelled.

This session is aimed at Ph.D students, especially those that are ‘in limbo’, unable to work in the Lab, isolated at home or whose job offers may have been delayed or cancelled.

Kevin Parker will narrate his own work experience, firstly at an Oil Company and then freelancing for 25 years, both in terms of what he did and the key personal skills needed to carry out each job.

The session will finish with an overview of the skills various important employers are looking for in graduate recruits, along with advice on how to survive job-hunting and/or home working.